Graph neural networks (GNNs) are recognized for their strong performance across various applications, with the backpropagation (BP) algorithm playing a central role in the development of most GNN models. However, despite its effectiveness, BP has limitations that challenge its biological plausibility and affect the efficiency, scalability and parallelism of training neural networks for graph-based tasks. While several non-backpropagation (non-BP) training algorithms, such as the direct feedback alignment (DFA), have been successfully applied to fully-connected and convolutional network components for handling Euclidean data, directly adapting these non-BP frameworks to manage non-Euclidean graph data in GNN models presents significant challenges. These challenges primarily arise from the violation of the independent and identically distributed (i.i.d.) assumption in graph data and the difficulty in accessing prediction errors for all samples (nodes) within the graph. To overcome these obstacles, in this paper we propose DFA-GNN, a novel forward learning framework tailored for GNNs with a case study of semi-supervised learning. The proposed method breaks the limitations of BP by using a dedicated forward training mechanism. Specifically, DFA-GNN extends the principles of DFA to adapt to graph data and unique architecture of GNNs, which incorporates the information of graph topology into the feedback links to accommodate the non-Euclidean characteristics of graph data. Additionally, for semi-supervised graph learning tasks, we developed a pseudo error generator that spreads residual errors from training data to create a pseudo error for each unlabeled node. These pseudo errors are then utilized to train GNNs using DFA. Extensive experiments on 10 public benchmarks reveal that our learning framework outperforms not only previous non-BP methods but also the standard BP methods, and it exhibits excellent robustness against various types of noise and attacks.

We present a novel approach for digitizing real-world objects by estimating their geometry, material properties, and environmental lighting from a set of posed images with fixed lighting. Our method incorporates into Neural Radiance Field (NeRF) pipelines the split sum approximation used with image-based lighting for real-time physically based rendering. We propose modeling the scene's lighting with a single scene-specific MLP representing pre-integrated image-based lighting at arbitrary resolutions. We accurately model pre-integrated lighting by exploiting a novel regularizer based on efficient Monte Carlo sampling. Additionally, we propose a new method of supervising self-occlusion predictions by exploiting a similar regularizer based on Monte Carlo sampling. Experimental results demonstrate the efficiency and effectiveness of our approach in estimating scene geometry, material properties, and lighting. Our method attains state-of-the-art relighting quality after only ${\sim}1$ hour of training in a single NVIDIA A100 GPU.

Large Language Models (LLMs) have demonstrated remarkable generalization and instruction-following capabilities with instruction tuning. The advancements in LLMs and instruction tuning have led to the development of Large Vision-Language Models (LVLMs). However, the competency of the LLMs and instruction tuning have been less explored in the molecular domain. Thus, we propose LLaMo: Large Language Model-based Molecular graph assistant, which is an end-to- end trained large molecular graph-language model. To bridge the discrepancy between the language and graph modalities, we present the multi-level graph projector that transforms graph representations into graph tokens by abstracting the output representations of each GNN layer and motif representations with the cross-attention mechanism. We also introduce machine-generated molecular graph instruction data to instruction-tune the large molecular graph-language model for general-purpose molecule and language understanding. Our extensive experiments demonstrate that LLaMo shows the best performance on diverse tasks, such as molecular description generation, property prediction, and IUPAC name prediction. The code of LLaMo is available at https://github.com/mlvlab/LLaMo.

Smoke segmentation is of great importance in precisely identifying the smoke location, enabling timely fire rescue and gas leak detection. However, due to the visual diversity and blurry edges of the non-grid smoke, noisy labels are almost inevitable in large-scale pixel-level smoke datasets. Noisy labels significantly impact the robustness of the model and may lead to serious accidents. Nevertheless, currently, there are no specific methods for addressing noisy labels in smoke segmentation. Smoke differs from regular objects as its transparency varies, causing inconsistent features in the noisy labels. In this paper, we propose a conditional sample weighting (CoSW). CoSW utilizes a multi-prototype framework, where prototypes serve as prior information to apply different weighting criteria to the different feature clusters. A novel regularized within-prototype entropy (RWE) is introduced to achieve CoSW and stable prototype update. The experiments show that our approach achieves SOTA performance on both real-world and synthetic noisy smoke segmentation datasets.

Dataflow analysis is a fundamental code analysis technique that identifies dependencies between program values. Traditional approaches typically necessitate successful compilation and expert customization, hindering their applicability and usability for analyzing uncompilable programs with evolving analysis needs in real-world scenarios. This paper presents LLMDFA, an LLM-powered compilation-free and customizable dataflow analysis framework. To address hallucinations for reliable results, we decompose the problem into several subtasks and introduce a series of novel strategies. Specifically, we leverage LLMs to synthesize code that outsources delicate reasoning to external expert tools, such as using a parsing library to extract program values of interest and invoking an automated theorem prover to validate path feasibility. Additionally, we adopt a few-shot chain-of-thought prompting to summarize dataflow facts in individual functions, aligning the LLMs with the program semantics of small code snippets to mitigate hallucinations. We evaluate LLMDFA on synthetic programs to detect three representative types of bugs and on real-world Android applications for customized bug detection. On average, LLMDFA achieves 87.10% precision and 80.77% recall, surpassing existing techniques with F1 score improvements of up to 0.35. We have open-sourced LLMDFA at https://github.com/chengpeng-wang/LLMDFA.

Open-vocabulary semantic segmentation (OVSS) aims to segment unseen classes without corresponding labels. Existing Vision-Language Model (VLM)-based methods leverage VLM's rich knowledge to enhance additional explicit segmentation-specific networks, yielding competitive results, but at the cost of extensive training cost. To reduce the cost, we attempt to enable VLM to directly produce the segmentation results without any segmentation-specific networks. Prompt learning offers a direct and parameter-efficient approach, yet it falls short in guiding VLM for pixel-level visual classification. Therefore, we propose the ${\bf R}$elationship ${\bf P}$rompt ${\bf M}$odule (${\bf RPM}$), which generates the relationship prompt that directs VLM to extract pixel-level semantic embeddings suitable for OVSS. Moreover, RPM integrates with VLM to construct the ${\bf R}$elationship ${\bf P}$rompt ${\bf N}$etwork (${\bf RPN}$), achieving OVSS without any segmentation-specific networks. RPN attains state-of-the-art performance with merely about ${\bf 3M}$ trainable parameters (2\% of total parameters).

Molecular property prediction (MPP) is integral to drug discovery and material science, but often faces the challenge of data scarcity in real-world scenarios. Addressing this, few-shot molecular property prediction (FSMPP) has been developed. Unlike other few-shot tasks, FSMPP typically employs a pre-trained molecular encoder and a context-aware classifier, benefiting from molecular pre-training and molecular context information. Despite these advancements, existing methods struggle with the ineffective fine-tuning of pre-trained encoders. We attribute this issue to the imbalance between the abundance of tunable parameters and the scarcity of labeled molecules, and the lack of contextual perceptiveness in the encoders. To overcome this hurdle, we propose a parameter-efficient in-context tuning method, named Pin-Tuning. Specifically, we propose a lightweight adapter for pre-trained message passing layers (MP-Adapter) and Bayesian weight consolidation for pre-trained atom/bond embedding layers (Emb-BWC), to achieve parameter-efficient tuning while preventing over-fitting and catastrophic forgetting. Additionally, we enhance the MP-Adapters with contextual perceptiveness. This innovation allows for in-context tuning of the pre-trained encoder, thereby improving its adaptability for specific FSMPP tasks. When evaluated on public datasets, our method demonstrates superior tuning with fewer trainable parameters, improving few-shot predictive performance.

Snapshot compressive imaging (SCI) recovers high-dimensional (3D) data cubes from a single 2D measurement, enabling diverse applications like video and hyperspectral imaging to go beyond standard techniques in terms of acquisition speed and efficiency. In this paper, we focus on SCI recovery algorithms that employ untrained neural networks (UNNs), such as deep image prior (DIP), to model source structure. Such UNN-based methods are appealing as they have the potential of avoiding the computationally intensive retraining required for different source models and different measurement scenarios. We first develop a theoretical framework for characterizing the performance of such UNN-based methods. The theoretical framework, on the one hand, enables us to optimize the parameters of data-modulating masks, and on the other hand, provides a fundamental connection between the number of data frames that can be recovered from a single measurement to the parameters of the untrained NN. We also employ the recently proposed bagged-deep-image-prior (bagged-DIP) idea to develop SCI Bagged Deep Video Prior (SCI-BDVP) algorithms that address the common challenges faced by standard UNN solutions. Our experimental results show that in video SCI our proposed solution achieves state-of-the-art among UNN methods, and in the case of noisy measurements, it even outperforms supervised solutions. Code is publicly available at https://github.com/Computational-Imaging-RU/SCI-BDVP.

Sequential recommender systems are designed to capture users' evolving interests over time. Existing methods typically assume a uniform time interval among consecutive user interactions and may not capture users' continuously evolving behavior in the short and long term. In reality, the actual time intervals of user interactions vary dramatically. Consequently, as the time interval between interactions increases, so does the uncertainty in user behavior. Intuitively, it is beneficial to establish a correlation between the interaction time interval and the model uncertainty to provide effective recommendations. To this end, we formulate a novel Evidential Neural Stochastic Differential Equation (E-NSDE) to seamlessly integrate NSDE and evidential learning for effective time-aware sequential recommendations. The NSDE enables the model to learn users' fine-grained time-evolving behavior by capturing continuous user representation while evidential learning quantifies both aleatoric and epistemic uncertainties considering interaction time interval to provide model confidence during prediction. Furthermore, we derive a mathematical relationship between the interaction time interval and model uncertainty to guide the learning process. Experiments on real-world data demonstrate the effectiveness of the proposed method compared to the SOTA methods.

Recommender systems aim to predict personalized rankings based on user preference data. With the rise of Language Models (LMs), LM-based recommenders have been widely explored due to their extensive world knowledge and powerful reasoning abilities. Most of the LM-based recommenders convert historical interactions into language prompts, pairing with a positive item as the target response and fine-tuning LM with a language modeling loss. However, the current objective fails to fully leverage preference data and is not optimized for personalized ranking tasks, which hinders the performance of LM-based recommenders. Inspired by the current advancement of Direct Preference Optimization (DPO) in human preference alignment and the success of softmax loss in recommendations, we propose Softmax-DPO (\textbf{S-DPO}) to instill ranking information into the LM to help LM-based recommenders distinguish preferred items from negatives, rather than solely focusing on positives. Specifically, we incorporate multiple negatives in user preference data and devise an alternative version of DPO loss tailored for LM-based recommenders, which is extended from the traditional full-ranking Plackett-Luce (PL) model to partial rankings and connected to softmax sampling strategies. Theoretically, we bridge S-DPO with the softmax loss over negative sampling and find that it has an inherent benefit of mining hard negatives, which assures its exceptional capabilities in recommendation tasks. Empirically, extensive experiments conducted on three real-world datasets demonstrate the superiority of S-DPO to effectively model user preference and further boost recommendation performance while providing better rewards for preferred items. Our codes are available at https://github.com/chenyuxin1999/S-DPO.

We introduce Arboretum, the largest publicly accessible dataset designed to advance AI for biodiversity applications. This dataset, curated from the iNaturalist community science platform and vetted by domain experts to ensure accurate data, includes 134.6 million images, surpassing existing datasets in scale by an order of magnitude. The dataset encompasses image-language paired data for a diverse set of species from birds (Aves), spiders/ticks/mites (Arachnida), insects (Insecta), plants (Plantae), fungus/mushrooms (Fungi), snails (Mollusca), and snakes/lizards (Reptilia), making it a valuable resource for multimodal vision-language AI models for biodiversity assessment and agriculture research. Each image is annotated with scientific names, taxonomic details, and common names, enhancing the robustness of AI model training.We showcase the value of Arboretum by releasing a suite of CLIP models trained using a subset of 40 million captioned images. We introduce several new benchmarks for rigorous assessment, report accuracy for zero-shot learning, and evaluations across life stages, rare species, confounding species, and various levels of the taxonomic hierarchy.We anticipate that Arboretum will spur the development of AI models that can enable a variety of digital tools ranging from pest control strategies, crop monitoring, and worldwide biodiversity assessment and environmental conservation. These advancements are critical for ensuring food security, preserving ecosystems, and mitigating the impacts of climate change. Arboretum is publicly available, easily accessible, and ready for immediate use.

Epitope identification is vital for antibody design yet challenging due to the inherent variability in antibodies. While many deep learning methods have been developed for general protein binding site prediction tasks, whether they work for epitope prediction remains an understudied research question. The challenge is also heightened by the lack of a consistent evaluation pipeline with sufficient dataset size and epitope diversity. We introduce a filtered antibody-antigen complex structure dataset, \textit{AsEP} (Antibody-specific Epitope Prediction). \textit{AsEP} is the largest of its kind and provides clustered epitope groups, allowing the community to develop and test novel epitope prediction methods. \textit{AsEP} comes with an easy-to-use interface in Python and pre-built graph representations of each antibody-antigen complex while also supporting customizable embedding methods. Based on this new dataset, we benchmarked various representative general protein-binding site prediction methods and find that their performances are not satisfactory as expected for epitope prediction. We thus propose a new method, \textit{WALLE}, that leverages both protein language models and graph neural networks. \textit{WALLE} demonstrate about $5$X performance gain over existing methods. Our empirical findings evidence that epitope prediction benefits from combining sequential embeddings provided by language models and geometrical information from graph representations, providing a guideline for future method design. In addition, we reformulate the task as bipartite link prediction, allowing easy model performance attribution and interpretability. We open-source our data and code at https://github.com/biochunan/AsEP-dataset.git.

RNA plays a pivotal role in translating genetic instructions into functional outcomes, underscoring its importance in biological processes and disease mechanisms. Despite the emergence of numerous deep learning approaches for RNA, particularly universal RNA language models, there remains a significant lack of standardized benchmarks to assess the effectiveness of these methods. In this study, we introduce the first comprehensive RNA benchmark BEACON BEnchmArk for COmprehensive RNA Task and Language Models).First, BEACON comprises 13 distinct tasks derived from extensive previous work covering structural analysis, functional studies, and engineering applications, enabling a comprehensive assessment of the performance of methods on various RNA understanding tasks. Second, we examine a range of models, including traditional approaches like CNNs, as well as advanced RNA foundation models based on language models, offering valuable insights into the task-specific performances of these models. Third, we investigate the vital RNA language model components from the tokenizer and positional encoding aspects. Notably, our findings emphasize the superiority of single nucleotide tokenization and the effectiveness of Attention with Linear Biases (ALiBi) over traditional positional encoding methods. Based on these insights, a simple yet strong baseline called BEACON-B is proposed, which can achieve outstanding performance with limited data and computational resources. The datasets and source code of our benchmark are available at https://github.com/terry-r123/RNABenchmark.

Enzymes, with their specific catalyzed reactions, are necessary for all aspects of life, enabling diverse biological processes and adaptations. Predicting enzyme functions is essential for understanding biological pathways, guiding drug development, enhancing bioproduct yields, and facilitating evolutionary studies. Addressing the inherent complexities, we introduce a new approach to annotating enzymes based on their catalyzed reactions. This method provides detailed insights into specific reactions and is adaptable to newly discovered reactions, diverging from traditional classifications by protein family or expert-derived reaction classes. We employ machine learning algorithms to analyze enzyme reaction datasets, delivering a much more refined view on the functionality of enzymes. Our evaluation leverages the largest enzyme-reaction dataset to date, derived from the SwissProt and Rhea databases with entries up to January 8, 2024. We frame the enzyme-reaction prediction as a retrieval problem, aiming to rank enzymes by their catalytic ability for specific reactions. With our model, we can can recruit proteins for novel reactions and predict reactions in novel proteins, facilitating enzyme discovery and function annotation.

Protein language models (PLMs) have shown remarkable capabilities in various protein function prediction tasks. However, while protein function is intricately tied to structure, most existing PLMs do not incorporate protein structure information. To address this issue, we introduce ProSST, a Transformer-based protein language model that seamlessly integrates both protein sequences and structures. ProSST incorporates a structure quantization module and a Transformer architecture with disentangled attention. The structure quantization module translates a 3D protein structure into a sequence of discrete tokens by first serializing the protein structure into residue-level local structures and then embeds them into dense vector space. These vectors are then quantized into discrete structure tokens by a pre-trained clustering model. These tokens serve as an effective protein structure representation. Furthermore, ProSST explicitly learns the relationship between protein residue token sequences and structure token sequences through the sequence-structure disentangled attention. We pre-train ProSST on millions of protein structures using a masked language model objective, enabling it to learn comprehensive contextual representations of proteins. To evaluate the proposed ProSST, we conduct extensive experiments on the zero-shot mutation effect prediction and several supervised downstream tasks, where ProSST achieves the state-of-the-art performance among all baselines. Our code and pre-trained models are publicly available.

We introduce a new functional representation for 3D molecules based on their continuous atomic density fields. Using this representation, we propose a new model based on neural empirical Bayes for unconditional 3D molecule generation in the continuous space using neural fields. Our model, FuncMol, encodes molecular fields into latent codes using a conditional neural field, samples noisy codes from a Gaussian-smoothed distribution with Langevin MCMC, denoises these samples in a single step and finally decodes them into molecular fields. FuncMol performs all-atom generation of 3D molecules without assumptions on the molecular structure and scales well with the size of molecules, unlike most existing approaches. Our method achieves competitive results on drug-like molecules and easily scales to macro-cyclic peptides, with at least one order of magnitude faster sampling. The code is available at https://github.com/prescient-design/funcmol.

Deep learning models like AlphaFold2 have revolutionized protein structure prediction, achieving unprecedented accuracy. However, the dependence on robust multiple sequence alignments (MSAs) continues to pose a challenge, especially for proteins that lack a wealth of homologous sequences. To overcome this limitation, we introduce MSA-Generator, a self-supervised generative protein language model. Trained on a sequence-to-sequence task using an automatically constructed dataset, MSA-Generator employs protein-specific attention mechanisms to harness large-scale protein databases, generating virtual MSAs that enrich existing ones and boost prediction accuracy. Our experiments on CASP14 and CASP15 benchmarks reveal significant improvements in LDDT scores, particularly for complex and challenging sequences, enhancing the performance of both AlphaFold2 and RoseTTAFold. The code is released at \url{https://github.com/lezhang7/MSAGen}.

We propose a novel approach to molecular simulations using neural network reparametrization, which offers a flexible alternative to traditional coarse-graining methods. Unlike conventional techniques that strictly reduce degrees of freedom, the complexity of the system can be adjusted in our model, sometimes increasing it to simplify the optimization process. Our approach also maintains continuous access to fine-grained modes and eliminates the need for force-matching, enhancing both the efficiency and accuracy of energy minimization.Importantly, our framework allows for the use of potentially arbitrary neural networks (e.g., Graph Neural Networks (GNN)) to perform the reparametrization, incorporating CG modes as needed. In fact, our experiments using very weak molecular forces (Lennard-Jones potential) the GNN-based model is the sole model to find the correct configuration. Similarly, in protein-folding scenarios, our GNN-based CG method consistently outperforms traditional optimization methods. It not only recovers the target structures more accurately but also achieves faster convergence to the deepest energy states.This work demonstrates significant advancements in molecular simulations by optimizing energy minimization and convergence speeds, offering a new, efficient framework for simulating complex molecular systems.

Recent studies have demonstrated the exceptional potentials of leveraging human preference datasets to refine text-to-image generative models, enhancing the alignment between generated images and textual prompts. Despite these advances, current human preference datasets are either prohibitively expensive to construct or suffer from a lack of diversity in preference dimensions, resulting in limited applicability for instruction tuning in open-source text-to-image generative models and hinder further exploration. To address these challenges and promote the alignment of generative models through instruction tuning, we leverage multimodal large language models to create VisionPrefer, a high-quality and fine-grained preference dataset that captures multiple preference aspects. We aggregate feedback from AI annotators across four aspects: prompt-following, aesthetic, fidelity, and harmlessness to construct VisionPrefer. To validate the effectiveness of VisionPrefer, we train a reward model VP-Score over VisionPrefer to guide the training of text-to-image generative models and the preference prediction accuracy of VP-Score is comparable to human annotators. Furthermore, we use two reinforcement learning methods to supervised fine-tune generative models to evaluate the performance of VisionPrefer, and extensive experimental results demonstrate that VisionPrefer significantly improves text-image alignment in compositional image generation across diverse aspects, e.g., aesthetic, and generalizes better than previous human-preference metrics across various image distributions. Moreover, VisionPrefer indicates that the integration of AI-generated synthetic data as a supervisory signal is a promising avenue for achieving improved alignment with human preferences in vision generative models.

Inverse protein folding is a fundamental task in computational protein design, which aims to design protein sequences that fold into the desired backbone structures. While the development of machine learning algorithms for this task has seen significant success, the prevailing approaches, which predominantly employ a discriminative formulation, frequently encounter the error accumulation issue and often fail to capture the extensive variety of plausible sequences. To fill these gaps, we propose Bridge-IF, a generative diffusion bridge model for inverse folding, which is designed to learn the probabilistic dependency between the distributions of backbone structures and protein sequences. Specifically, we harness an expressive structure encoder to propose a discrete, informative prior derived from structures, and establish a Markov bridge to connect this prior with native sequences. During the inference stage, Bridge-IF progressively refines the prior sequence, culminating in a more plausible design. Moreover, we introduce a reparameterization perspective on Markov bridge models, from which we derive a simplified loss function that facilitates more effective training. We also modulate protein language models (PLMs) with structural conditions to precisely approximate the Markov bridge process, thereby significantly enhancing generation performance while maintaining parameter-efficient training. Extensive experiments on well-established benchmarks demonstrate that Bridge-IF predominantly surpasses existing baselines in sequence recovery and excels in the design of plausible proteins with high foldability. The code is available at https://github.com/violet-sto/Bridge-IF.

Single-cell genomics has significantly advanced our understanding of cellular behavior, catalyzing innovations in treatments and precision medicine. However,single-cell sequencing technologies are inherently destructive and can only measure a limited array of data modalities simultaneously. This limitation underscoresthe need for new methods capable of realigning cells. Optimal transport (OT)has emerged as a potent solution, but traditional discrete solvers are hampered byscalability, privacy, and out-of-sample estimation issues. These challenges havespurred the development of neural network-based solvers, known as neural OTsolvers, that parameterize OT maps. Yet, these models often lack the flexibilityneeded for broader life science applications. To address these deficiencies, ourapproach learns stochastic maps (i.e. transport plans), allows for any cost function,relaxes mass conservation constraints and integrates quadratic solvers to tackle thecomplex challenges posed by the (Fused) Gromov-Wasserstein problem. Utilizingflow matching as a backbone, our method offers a flexible and effective framework.We demonstrate its versatility and robustness through applications in cell development studies, cellular drug response modeling, and cross-modality cell translation,illustrating significant potential for enhancing therapeutic strategies.

Electronic Health Records (EHRs) are integral for storing comprehensive patient medical records, combining structured data (e.g., medications) with detailed clinical notes (e.g., physician notes). These elements are essential for straightforward data retrieval and provide deep, contextual insights into patient care. However, they often suffer from discrepancies due to unintuitive EHR system designs and human errors, posing serious risks to patient safety. To address this, we developed EHRCon, a new dataset and task specifically designed to ensure data consistency between structured tables and unstructured notes in EHRs.EHRCon was crafted in collaboration with healthcare professionals using the MIMIC-III EHR dataset, and includes manual annotations of 3,943 entities across 105 clinical notes checked against database entries for consistency.EHRCon has two versions, one using the original MIMIC-III schema, and another using the OMOP CDM schema, in order to increase its applicability and generalizability. Furthermore, leveraging the capabilities of large language models, we introduce CheckEHR, a novel framework for verifying the consistency between clinical notes and database tables. CheckEHR utilizes an eight-stage process and shows promising results in both few-shot and zero-shot settings. The code is available at \url{https://github.com/dustn1259/EHRCon}.

Cross-domain few-shot segmentation (CD-FSS) is proposed to first pre-train the model on a large-scale source-domain dataset, and then transfer the model to data-scarce target-domain datasets for pixel-level segmentation. The significant domain gap between the source and target datasets leads to a sharp decline in the performance of existing few-shot segmentation (FSS) methods in cross-domain scenarios. In this work, we discover an intriguing phenomenon: simply filtering different frequency components for target domains can lead to a significant performance improvement, sometimes even as high as 14% mIoU. Then, we delve into this phenomenon for an interpretation, and find such improvements stem from the reduced inter-channel correlation in feature maps, which benefits CD-FSS with enhanced robustness against domain gaps and larger activated regions for segmentation. Based on this, we propose a lightweight frequency masker, which further reduces channel correlations by an amplitude-phase-masker (APM) module and an Adaptive Channel Phase Attention (ACPA) module. Notably, APM introduces only 0.01% additional parameters but improves the average performance by over 10%, and ACPA imports only 2.5% parameters but further improves the performance by over 1.5%, which significantly surpasses the state-of-the-art CD-FSS methods.

Open-vocabulary 3D object detection has recently attracted considerable attention due to its broad applications in autonomous driving and robotics, which aims to effectively recognize novel classes in previously unseen domains. However, existing point cloud-based open-vocabulary 3D detection models are limited by their high deployment costs. In this work, we propose a novel open-vocabulary monocular 3D object detection framework, dubbed OVM3D-Det, which trains detectors using only RGB images, making it both cost-effective and scalable to publicly available data. Unlike traditional methods, OVM3D-Det does not require high-precision LiDAR or 3D sensor data for either input or generating 3D bounding boxes. Instead, it employs open-vocabulary 2D models and pseudo-LiDAR to automatically label 3D objects in RGB images, fostering the learning of open-vocabulary monocular 3D detectors. However, training 3D models with labels directly derived from pseudo-LiDAR is inadequate due to imprecise boxes estimated from noisy point clouds and severely occluded objects. To address these issues, we introduce two innovative designs: adaptive pseudo-LiDAR erosion and bounding box refinement with prior knowledge from large language models. These techniques effectively calibrate the 3D labels and enable RGB-only training for 3D detectors. Extensive experiments demonstrate the superiority of OVM3D-Det over baselines in both indoor and outdoor scenarios. The code will be released.

Semantic segmentation and semantic image synthesis are two representative tasks in visual perception and generation. While existing methods consider them as two distinct tasks, we propose a unified framework (SemFlow) and model them as a pair of reverse problems. Specifically, motivated by rectified flow theory, we train an ordinary differential equation (ODE) model to transport between the distributions of real images and semantic masks. As the training object is symmetric, samples belonging to the two distributions, images and semantic masks, can be effortlessly transferred reversibly. For semantic segmentation, our approach solves the contradiction between the randomness of diffusion outputs and the uniqueness of segmentation results. For image synthesis, we propose a finite perturbation approach to enhance the diversity of generated results without changing the semantic categories. Experiments show that our SemFlow achieves competitive results on semantic segmentation and semantic image synthesis tasks. We hope this simple framework will motivate people to rethink the unification of low-level and high-level vision.

3D human shape reconstruction under severe occlusion due to human-object or human-human interaction is a challenging problem. While implicit function methods capture detailed clothed shapes, they require aligned shape priors and or are weak at inpainting occluded regions given an image input. Parametric models i.e. SMPL, instead offer whole body shapes, however, are often misaligned with images. In this work, we propose a novel pipeline composed of a probabilistic SMPL model and point cloud diffusion for pixel-aligned detailed 3D human reconstruction under occlusion. Multiple hypotheses generated by the probabilistic SMPL method are conditioned via continuous 3D shape representations. Point cloud diffusion refines the distribution of 3D points fitted to both the multi-hypothesis shape condition and pixel-aligned image features, offering detailed clothed shapes and inpainting occluded parts of human bodies. In the experiments using the CAPE, MultiHuman and Hi4D datasets, the proposed method outperforms various SOTA methods based on SMPL, implicit functions, point cloud diffusion, and their combined, under synthetic and real occlusions. Our code is publicly available at https://donghwankim0101.github.io/projects/mhcdiff.

Text-conditioned human motion generation has experienced significant advancements with diffusion models trained on extensive motion capture data and corresponding textual annotations. However, extending such success to 3D dynamic human-object interaction (HOI) generation faces notable challenges, primarily due to the lack of large-scale interaction data and comprehensive descriptions that align with these interactions. This paper takes the initiative and showcases the potential of generating human-object interactions without direct training on text-interaction pair data. Our key insight in achieving this is that interaction semantics and dynamics can be decoupled. Being unable to learn interaction semantics through supervised training, we instead leverage pre-trained large models, synergizing knowledge from a large language model and a text-to-motion model. While such knowledge offers high-level control over interaction semantics, it cannot grasp the intricacies of low-level interaction dynamics. To overcome this issue, we introduce a world model designed to comprehend simple physics, modeling how human actions influence object motion. By integrating these components, our novel framework, InterDreamer, is able to generate text-aligned 3D HOI sequences without relying on paired text-interaction data. We apply InterDreamer to the BEHAVE, OMOMO, and CHAIRS datasets, and our comprehensive experimental analysis demonstrates its capability to generate realistic and coherent interaction sequences that seamlessly align with the text directives.

The reliability of driving perception systems under unprecedented conditions is crucial for practical usage. Latest advancements have prompted increasing interest in multi-LiDAR perception. However, prevailing driving datasets predominantly utilize single-LiDAR systems and collect data devoid of adverse conditions, failing to capture the complexities of real-world environments accurately. Addressing these gaps, we proposed Place3D, a full-cycle pipeline that encompasses LiDAR placement optimization, data generation, and downstream evaluations. Our framework makes three appealing contributions. 1) To identify the most effective configurations for multi-LiDAR systems, we introduce the Surrogate Metric of the Semantic Occupancy Grids (M-SOG) to evaluate LiDAR placement quality. 2) Leveraging the M-SOG metric, we propose a novel optimization strategy to refine multi-LiDAR placements. 3) Centered around the theme of multi-condition multi-LiDAR perception, we collect a 280,000-frame dataset from both clean and adverse conditions. Extensive experiments demonstrate that LiDAR placements optimized using our approach outperform various baselines. We showcase exceptional results in both LiDAR semantic segmentation and 3D object detection tasks, under diverse weather and sensor failure conditions.

In this paper, we present PCoTTA, an innovative, pioneering framework for Continual Test-Time Adaptation (CoTTA) in multi-task point cloud understanding, enhancing the model's transferability towards the continually changing target domain. We introduce a multi-task setting for PCoTTA, which is practical and realistic, handling multiple tasks within one unified model during the continual adaptation. Our PCoTTA involves three key components: automatic prototype mixture (APM), Gaussian Splatted feature shifting (GSFS), and contrastive prototype repulsion (CPR). Firstly, APM is designed to automatically mix the source prototypes with the learnable prototypes with a similarity balancing factor, avoiding catastrophic forgetting. Then, GSFS dynamically shifts the testing sample toward the source domain, mitigating error accumulation in an online manner. In addition, CPR is proposed to pull the nearest learnable prototype close to the testing feature and push it away from other prototypes, making each prototype distinguishable during the adaptation. Experimental comparisons lead to a new benchmark, demonstrating PCoTTA's superiority in boosting the model's transferability towards the continually changing target domain. Our source code is available at: https://github.com/Jinec98/PCoTTA.

Photo finishing tuning aims to automate the manual tuning process of the photo finishing pipeline, like Adobe Lightroom or Darktable. Previous works either use zeroth-order optimization, which is slow when the set of parameters increases, or rely on a differentiable proxy of the target finishing pipeline, which is hard to train.To overcome these challenges, we propose a novel goal-conditioned reinforcement learning framework for efficiently tuning parameters using a goal image as a condition. Unlike previous approaches, our tuning framework does not rely on any proxy and treats the photo finishing pipeline as a black box. Utilizing a trained reinforcement learning policy, it can efficiently find the desired set of parameters within just 10 queries, while optimization based approaches normally take 200 queries. Furthermore, our architecture utilizes a goal image to guide the iterative tuning of pipeline parameters, allowing for flexible conditioning on pixel-aligned target images, style images, or any other visually representable goals. We conduct detailed experiments on photo finishing tuning and photo stylization tuning tasks, demonstrating the advantages of our method.

Complex 3D scene understanding has gained increasing attention, with scene encoding strategies built on top of visual foundation models playing a crucial role in this success. However, the optimal scene encoding strategies for various scenarios remain unclear, particularly compared to their image-based counterparts. To address this issue, we present the first comprehensive study that probes various visual encoding models for 3D scene understanding, identifying the strengths and limitations of each model across different scenarios. Our evaluation spans seven vision foundation encoders, including image, video, and 3D foundation models. We evaluate these models in four tasks: Vision-Language Scene Reasoning, Visual Grounding, Segmentation, and Registration, each focusing on different aspects of scene understanding. Our evaluation yields key intriguing findings: Unsupervised image foundation models demonstrate superior overall performance, video models excel in object-level tasks, diffusion models benefit geometric tasks, language-pretrained models show unexpected limitations in language-related tasks, and the mixture-of-vision-expert (MoVE) strategy leads to consistent performance improvement. These insights challenge some conventional understandings, provide novel perspectives on leveraging visual foundation models, and highlight the need for more flexible encoder selection in future vision-language and scene understanding tasks.

3D reconstruction and relighting of objects made from scattering materials present a significant challenge due to the complex light transport beneath the surface. 3D Gaussian Splatting introduced high-quality novel view synthesis at real-time speeds. While 3D Gaussians efficiently approximate an object's surface, they fail to capture the volumetric properties of subsurface scattering. We propose a framework for optimizing an object's shape together with the radiance transfer field given multi-view OLAT (one light at a time) data. Our method decomposes the scene into an explicit surface represented as 3D Gaussians, with a spatially varying BRDF, and an implicit volumetric representation of the scattering component. A learned incident light field accounts for shadowing. We optimize all parameters jointly via ray-traced differentiable rendering. Our approach enables material editing, relighting, and novel view synthesis at interactive rates. We show successful application on synthetic data and contribute a newly acquired multi-view multi-light dataset of objects in a light-stage setup. Compared to previous work we achieve comparable or better results at a fraction of optimization and rendering time while enabling detailed control over material attributes.

Virtual Screening is an essential technique in the early phases of drug discovery, aimed at identifying promising drug candidates from vast molecular libraries. Recently, ligand-based virtual screening has garnered significant attention due to its efficacy in conducting extensive database screenings without relying on specific protein-binding site information.Obtaining binding affinity data for complexes is highly expensive, resulting in a limited amount of available data that covers a relatively small chemical space. Moreover, these datasets contain a significant amount of inconsistent noise. It is challenging to identify an inductive bias that consistently maintains the integrity of molecular activity during data augmentation. To tackle these challenges, we propose S-MolSearch, the first framework to our knowledge, that leverages molecular 3D information and affinity information in semi-supervised contrastive learning for ligand-based virtual screening. % S-MolSearch processes both labeled and unlabeled data, trains molecular structural encoders, and generates soft labels for unlabeled data, drawing on the principles of inverse optimal transport.Drawing on the principles of inverse optimal transport, S-MolSearch efficiently processes both labeled and unlabeled data, training molecular structural encoders while generating soft labels for the unlabeled data.This design allows S-MolSearch to adaptively utilize unlabeled data within the learning process.Empirically, S-MolSearch demonstrates superior performance on widely-used benchmarks LIT-PCBA and DUD-E. It surpasses both structure-based and ligand-based virtual screening methods for AUROC, BEDROC and EF.

Designing novel functional proteins crucially depends on accurately modeling their fitness landscape. Given the limited availability of functional annotations from wet-lab experiments, previous methods have primarily relied on self-supervised models trained on vast, unlabeled protein sequence or structure datasets. While initial protein representation learning studies solely focused on either sequence or structural features, recent hybrid architectures have sought to merge these modalities to harness their respective strengths. However, these sequence-structure models have so far achieved only incremental improvements when compared to the leading sequence-only approaches, highlighting unresolved challenges effectively leveraging these modalities together. Moreover, the function of certain proteins is highly dependent on the granular aspects of their surface topology, which have been overlooked by prior models.To address these limitations, we introduce the Sequence-Structure-Surface Fitness (S3F) model — a novel multimodal representation learning framework that integrates protein features across several scales. Our approach combines sequence representations from a protein language model with Geometric Vector Perceptron networks encoding protein backbone and detailed surface topology. The proposed method achieves state-of-the-art fitness prediction on the ProteinGym benchmark encompassing 217 substitution deep mutational scanning assays, and provides insights into the determinants of protein function.Our code is at https://github.com/DeepGraphLearning/S3F.

In this paper, we introduce IMPACT (Integrated Multimodal Patent Analysis and Creation Dataset for Design Patents), a large-scale multimodal patent dataset with detailed captions for design patent figures. Our dataset includes half a million design patents comprising 3.61 million figures along with captions from patents granted by the United States Patent and Trademark Office (USPTO) over a 16-year period from 2007 to 2022. We incorporate the metadata of each patent application with elaborate captions that are coherent with multiple viewpoints of designs. Even though patents themselves contain a variety of design figures, titles, and descriptions of viewpoints, we find that they lack detailed descriptions that are necessary to perform multimodal tasks such as classification and retrieval. IMPACT closes this gap thereby providing researchers with necessary ingredients to instantiate a variety of multimodal tasks. Our dataset has a huge potential for novel design inspiration and can be used with advanced computer vision models in tandem. We perform preliminary evaluations on the dataset on the popular patent analysis tasks such as classification and retrieval. Our results indicate that integrating images with generated captions significantly improves the performance of different models on the corresponding tasks. Given that design patents offer various benefits for modeling novel tasks, we propose two standard computer vision tasks that have not been investigated in analyzing patents as future directions using IMPACT as a benchmark viz., 3D Image Construction and Visual Question Answering (VQA). To facilitate research in these directions, we make our IMPACT dataset and the code/models used in this work publicly available at https://anonymous.4open.science/r/designpatent_dataset-E7CE/.

Prior multi-frame optical flow methods typically estimate flow repeatedly in a pair-wise manner, leading to significant computational redundancy. To mitigate this, we implement a Streamlined In-batch Multi-frame (SIM) pipeline, specifically tailored to video inputs to minimize redundant calculations. It enables the simultaneous prediction of successive unidirectional flows in a single forward pass, boosting processing speed by 44.43% and reaching efficiencies on par with two-frame networks. Moreover, we investigate various spatiotemporal modeling methods for optical flow estimation within this pipeline. Notably, we propose a simple yet highly effective parameter-efficient Integrative spatiotemporal Coherence (ISC) modeling method, alongside a lightweight Global Temporal Regressor (GTR) to harness temporal cues. The proposed ISC and GTR bring powerful spatiotemporal modeling capabilities and significantly enhance accuracy, including in occluded areas, while adding modest computations to the SIM pipeline. Compared to the baseline, our approach, StreamFlow, achieves performance enhancements of 15.45% and 11.37% on the Sintel clean and final test sets respectively, with gains of 15.53% and 10.77% on occluded regions and only a 1.11% rise in latency. Furthermore, StreamFlow exhibits state-of-the-art cross-dataset testing results on Sintel and KITTI, demonstrating its robust cross-domain generalization capabilities. The code is available here.

The CLIP network excels in various tasks, but struggles with text-visual images i.e., images that contain both text and visual objects; it risks confusing textual and visual representations. To address this issue, we propose MirrorCLIP, a zero-shot framework, which disentangles the image features of CLIP by exploiting the difference in the mirror effect between visual objects and text in the images. Specifically, MirrorCLIP takes both original and flipped images as inputs, comparing their features dimension-wise in the latent space to generate disentangling masks. With disentangling masks, we further design filters to separate textual and visual factors more precisely, and then get disentangled representations. Qualitative experiments using stable diffusion models and class activation mapping (CAM) validate the effectiveness of our disentanglement. Moreover, our proposed MirrorCLIP reduces confusion when encountering text-visual images and achieves a substantial improvement on typographic defense, further demonstrating its superior ability of disentanglement. Our code is available at https://github.com/tcwangbuaa/MirrorCLIP

This paper scales object-level reconstruction to complex scenes, advancing interactive scene reconstruction. We introduce two datasets, OmniSim and InterReal, featuring 28 scenes with multiple interactive objects. To tackle the challenge of inaccurate interactive motion recovery in complex scenes, we propose LiveScene, a scene-level language-embedded interactive radiance field that efficiently reconstructs and controls multiple objects. By decomposing the interactive scene into local deformable fields, LiveScene enables separate reconstruction of individual object motions, reducing memory consumption. Additionally, our interaction-aware language embedding localizes individual interactive objects, allowing for arbitrary control using natural language. Our approach demonstrates significant superiority in novel view synthesis, interactive scene control, and language grounding performance through extensive experiments. Project page: https://livescenes.github.io.

Neural radiance fields (NeRFs) have gained popularity with multiple works showing promising results across various applications. However, to the best of our knowledge, existing works do not explicitly model the distribution of training camera poses, or consequently the triangulation quality, a key factor affecting reconstruction quality dating back to classical vision literature. We close this gap with ProvNeRF, an approach that models the provenance for each point -- i.e., the locations where it is likely visible -- of NeRFs as a stochastic field. We achieve this by extending implicit maximum likelihood estimation (IMLE) to functional space with an optimizable objective. We show that modeling per-point provenance during the NeRF optimization enriches the model with information on triangulation leading to improvements in novel view synthesis and uncertainty estimation under the challenging sparse, unconstrained view setting against competitive baselines. The code will be available at https://github.com/georgeNakayama/ProvNeRF.

This paper makes a step towards modeling the modality discrepancy in the cross-spectral re-identification task. Based on the Lambertain model, we observe that the non-linear modality discrepancy mainly comes from diverse linear transformations acting on the surface of different materials. From this view, we unify all data augmentation strategies for cross-spectral re-identification as mimicking such local linear transformations and categorize them into moderate transformation and radical transformation. By extending the observation, we propose a Random Linear Enhancement (RLE) strategy which includes Moderate Random Linear Enhancement (MRLE) and Radical Random Linear Enhancement (RRLE) to push the boundaries of both types of transformation. Moderate Random Linear Enhancement is designed to provide diverse image transformations that satisfy the original linear correlations under constrained conditions, whereas Radical Random Linear Enhancement seeks to generate local linear transformations directly without relying on external information. The experimental results not only demonstrate the superiority and effectiveness of RLE but also confirm its great potential as a general-purpose data augmentation for cross-spectral re-identification.

As an emerging task that integrates perception and reasoning, topology reasoning in autonomous driving scenes has recently garnered widespread attention. However, existing work often emphasizes "perception over reasoning": they typically boost reasoning performance by enhancing the perception of lanes and directly adopt vanilla MLPs to learn lane topology from lane query. This paradigm overlooks the geometric features intrinsic to the lanes themselves and are prone to being influenced by inherent endpoint shifts in lane detection. To tackle this issue, we propose an interpretable method for lane topology reasoning based on lane geometric distance and lane query similarity, named TopoLogic. This method mitigates the impact of endpoint shifts in geometric space, and introduces explicit similarity calculation in semantic space as a complement. By integrating results from both spaces, our methods provides more comprehensive information for lane topology. Ultimately, our approach significantly outperforms the existing state-of-the-art methods on the mainstream benchmark OpenLane-V2 (23.9 v.s. 10.9 in TOP$_{ll}$ and 44.1 v.s. 39.8 in OLS on subsetA). Additionally, our proposed geometric distance topology reasoning method can be incorporated into well-trained models without re-training, significantly enhancing the performance of lane topology reasoning. The code is released at https://github.com/Franpin/TopoLogic.

Image pyramids are commonly used in modern computer vision tasks to obtain multi-scale features for precise understanding of images. However, image pyramids process multiple resolutions of images using the same large-scale model, which requires significant computational cost. To overcome this issue, we propose a novel network architecture known as the Parameter-Inverted Image Pyramid Networks (PIIP). Our core idea is to use models with different parameter sizes to process different resolution levels of the image pyramid, thereby balancing computational efficiency and performance. Specifically, the input to PIIP is a set of multi-scale images, where higher resolution images are processed by smaller networks. We further propose a feature interaction mechanism to allow features of different resolutions to complement each other and effectively integrate information from different spatial scales. Extensive experiments demonstrate that the PIIP achieves superior performance in tasks such as object detection, segmentation, and image classification, compared to traditional image pyramid methods and single-branch networks, while reducing computational cost. Notably, when applying our method on a large-scale vision foundation model InternViT-6B, we improve its performance by 1\%-2\% on detection and segmentation with only 40\%-60\% of the original computation. These results validate the effectiveness of the PIIP approach and provide a new technical direction for future vision computing tasks.

While the field of 3D scene reconstruction is dominated by NeRFs due to their photorealistic quality, 3D Gaussian Splatting (3DGS) has recently emerged, offering similar quality with real-time rendering speeds. However, both methods primarily excel with well-controlled 3D scenes, while in-the-wild data - characterized by occlusions, dynamic objects, and varying illumination - remains challenging. NeRFs can adapt to such conditions easily through per-image embedding vectors, but 3DGS struggles due to its explicit representation and lack of shared parameters. To address this, we introduce WildGaussians, a novel approach to handle occlusions and appearance changes with 3DGS. By leveraging robust DINO features and integrating an appearance modeling module within 3DGS, our method achieves state-of-the-art results. We demonstrate that WildGaussians matches the real-time rendering speed of 3DGS while surpassing both 3DGS and NeRF baselines in handling in-the-wild data, all within a simple architectural framework.

Vision-language models, such as CLIP, have shown impressive generalization capacities when using appropriate text descriptions. While optimizing prompts on downstream labeled data has proven effective in improving performance, these methods entail labor costs for annotations and are limited by their quality. Additionally, since CLIP is pre-trained on highly imbalanced Web-scale data, it suffers from inherent label bias that leads to suboptimal performance. To tackle the above challenges, we propose a label-**F**ree p**ro**mpt distribution **l**earning and b**i**as **c**orrection framework, dubbed as **Frolic**, which boosts zero-shot performance without the need for labeled data. Specifically, our Frolic learns distributions over prompt prototypes to capture diverse visual representations and adaptively fuses these with the original CLIP through confidence matching.This fused model is further enhanced by correcting label bias via a label-free logit adjustment. Notably, our method is not only training-free but also circumvents the necessity for hyper-parameter tuning. Extensive experimental results across 16 datasets demonstrate the efficacy of our approach, particularly outperforming the state-of-the-art by an average of $2.6\%$ on 10 datasets with CLIP ViT-B/16 and achieving an average margin of $1.5\%$ on ImageNet and its five distribution shifts with CLIP ViT-B/16. Codes are available in [https://github.com/zhuhsingyuu/Frolic](https://github.com/zhuhsingyuu/Frolic).

We propose a new method named LoD-Loc for visual localization in the air. Unlike existing localization algorithms, LoD-Loc does not rely on complex 3D representations and can estimate the pose of an Unmanned Aerial Vehicle (UAV) using a Level-of-Detail (LoD) 3D map. LoD-Loc mainly achieves this goal by aligning the wireframe derived from the LoD projected model with that predicted by the neural network. Specifically, given a coarse pose provided by the UAV sensor, LoD-Loc hierarchically builds a cost volume for uniformly sampled pose hypotheses to describe pose probability distribution and select a pose with maximum probability. Each cost within this volume measures the degree of line alignment between projected and predicted wireframes. LoD-Loc also devises a 6-DoF pose optimization algorithm to refine the previous result with a differentiable Gaussian-Newton method. As no public dataset exists for the studied problem, we collect two datasets with map levels of LoD3.0 and LoD2.0, along with real RGB queries and ground-truth pose annotations. We benchmark our method and demonstrate that LoD-Loc achieves excellent performance, even surpassing current state-of-the-art methods that use textured 3D models for localization. The code and dataset will be made available upon publication.

The sparsely activated mixture of experts (MoE) model presents an effective alternative to densely activated (dense) models, combining improved accuracy with computational efficiency. However, training MoE models from scratch requires extensive data and computational resources, a challenge that limits their widespread adoption. To address this, we introduce MoE Jetpack, a framework designed to fine-tune the abundant and easily accessible dense checkpoints into MoE models. MoE Jetpack incorporates two key techniques: (1) checkpoint recycling, which initializes MoE models with dense checkpoints to accelerate convergence and enhance accuracy, minimizing the need for extensive pre-training; (2) the hyperspherical adaptive MoE (SpheroMoE) layer, which optimizes the MoE architecture to enhance fine-tuning performance and efficiency.Experimental results indicate that MoE Jetpack doubles the convergence speed and enhances accuracy by 2.8% on ImageNet-1K. On smaller datasets, it achieves up to 8-fold faster convergence and over 30% accuracy gains, highlighting its efficiency.The code is available at https://github.com/Adlith/MoE-Jetpack.

We present Parametric Piecewise Linear Networks (PPLNs) for temporal vision inference. Motivated by the neuromorphic principles that regulate biological neural behaviors, PPLNs are ideal for processing data captured by event cameras, which are built to simulate neural activities in the human retina. We discuss how to represent the membrane potential of an artificial neuron by a parametric piecewise linear function with learnable coefficients. This design echoes the idea of building deep models from learnable parametric functions recently popularized by Kolmogorov–Arnold Networks (KANs). Experiments demonstrate the state-of-the-art performance of PPLNs in event-based and image-based vision applications, including steering prediction, human pose estimation, and motion deblurring.

Protein representation learning is indispensable for various downstream applications of artificial intelligence for bio-medicine research, such as drug design and function prediction. However, achieving effective representation learning for proteins poses challenges due to the diversity of data modalities involved, including sequence, structure, and function annotations. Despite the impressive capabilities of large language models in biomedical text modelling, there remains a pressing need for a framework that seamlessly integrates these diverse modalities, particularly focusing on the three critical aspects of protein information: sequence, structure, and function. Moreover, addressing the inherent data scale differences among these modalities is essential. To tackle these challenges, we introduce ProtGO, a unified model that harnesses a teacher network equipped with a customized graph neural network (GNN) and a Gene Ontology (GO) encoder to learn hybrid embeddings. Notably, our approach eliminates the need for additional functions as input for the student network, which shares the same GNN module. Importantly, we utilize a domain adaptation method to facilitate distribution approximation for guiding the training of the teacher-student framework. This approach leverages distributions learned from latent representations to avoid the alignment of individual samples. Benchmark experiments highlight that ProtGO significantly outperforms state-of-the-art baselines, clearly demonstrating the advantages of the proposed unified framework.

Recent advances in low light image enhancement have been dominated by Retinex-based learning framework, leveraging convolutional neural networks (CNNs) and Transformers. However, the vanilla Retinex theory primarily addresses global illumination degradation and neglects local issues such as noise and blur in dark conditions. Moreover, CNNs and Transformers struggle to capture global degradation due to their limited receptive fields. While state space models (SSMs) have shown promise in the long-sequence modeling, they face challenges in combining local invariants and global context in visual data. In this paper, we introduce MambaLLIE, an implicit Retinex-aware low light enhancer featuring a global-then-local state space design. We first propose a Local-Enhanced State Space Module (LESSM) that incorporates an augmented local bias within a 2D selective scan mechanism, enhancing the original SSMs by preserving local 2D dependency. Additionally, an Implicit Retinex-aware Selective Kernel module (IRSK) dynamically selects features using spatially-varying operations, adapting to varying inputs through an adaptive kernel selection process. Our Global-then-Local State Space Block (GLSSB) integrates LESSM and IRSK with layer normalization (LN) as its core. This design enables MambaLLIE to achieve comprehensive global long-range modeling and flexible local feature aggregation. Extensive experiments demonstrate that MambaLLIE significantly outperforms state-of-the-art CNN and Transformer-based methods. Our code is available at https://github.com/wengjiangwei/MambaLLIE.

Although the performance of Temporal Action Segmentation (TAS) has been improved in recent years, achieving promising results often comes with a high computational cost due to dense inputs, complex model structures, and resource-intensive post-processing requirements. To improve the efficiency while keeping the high performance, we present a novel perspective centered on per-segment classification. By harnessing the capabilities of Transformers, we tokenize each video segment as an instance token, endowed with intrinsic instance segmentation. To realize efficient action segmentation, we introduce BaFormer, a boundary-aware Transformer network. It employs instance queries for instance segmentation and a global query for class-agnostic boundary prediction, yielding continuous segment proposals. During inference, BaFormer employs a simple yet effective voting strategy to classify boundary-wise segments based on instance segmentation. Remarkably, as a single-stage approach, BaFormer significantly reduces the computational costs, utilizing only 6% of the running time compared to the state-of-the-art method DiffAct, while producing better or comparable accuracy over several popular benchmarks. The code for this project is publicly available at https://github.com/peiyao-w/BaFormer.

In this paper, we propose Generalizable and Animatable Gaussian head Avatar (GAGA) for one-shot animatable head avatar reconstruction.Existing methods rely on neural radiance fields, leading to heavy rendering consumption and low reenactment speeds.To address these limitations, we generate the parameters of 3D Gaussians from a single image in a single forward pass.The key innovation of our work is the proposed dual-lifting method, which produces high-fidelity 3D Gaussians that capture identity and facial details.Additionally, we leverage global image features and the 3D morphable model to construct 3D Gaussians for controlling expressions.After training, our model can reconstruct unseen identities without specific optimizations and perform reenactment rendering at real-time speeds.Experiments show that our method exhibits superior performance compared to previous methods in terms of reconstruction quality and expression accuracy.We believe our method can establish new benchmarks for future research and advance applications of digital avatars.

We consider the task of active geo-localization (AGL) in which an agent uses a sequence of visual cues observed during aerial navigation to find a target specified through multiple possible modalities. This could emulate a UAV involved in a search-and-rescue operation navigating through an area, observing a stream of aerial images as it goes. The AGL task is associated with two important challenges. Firstly, an agent must deal with a goal specification in one of multiple modalities (e.g., through a natural language description) while the search cues are provided in other modalities (aerial imagery). The second challenge is limited localization time (e.g., limited battery life, urgency) so that the goal must be localized as efficiently as possible, i.e. the agent must effectively leverage its sequentially observed aerial views when searching for the goal. To address these challenges, we propose GOMAA-Geo -- a goal modality agnostic active geo-localization agent -- for zero-shot generalization between different goal modalities. Our approach combines cross-modality contrastive learning to align representations across modalities with supervised foundation model pretraining and reinforcement learning to obtain highly effective navigation and localization policies. Through extensive evaluations, we show that GOMAA-Geo outperforms alternative learnable approaches and that it generalizes across datasets -- e.g., to disaster-hit areas without seeing a single disaster scenario during training -- and goal modalities -- e.g., to ground-level imagery or textual descriptions, despite only being trained with goals specified as aerial views. Our code is available at: https://github.com/mvrl/GOMAA-Geo.

Existing super-resolution (SR) methods optimize all model weights equally using $\mathcal{L}_1$ or $\mathcal{L}_2$ losses by uniformly sampling image patches without considering dataset imbalances or parameter redundancy, which limits their performance. To address this, we formulate the image SR task as an imbalanced distribution transfer learning problem from a statistical probability perspective, proposing a plug-and-play Weight-Balancing framework (WBSR) to achieve balanced model learning without changing the original model structure and training data. Specifically, we develop a Hierarchical Equalization Sampling (HES) strategy to address data distribution imbalances, enabling better feature representation from texture-rich samples. To tackle model optimization imbalances, we propose a Balanced Diversity Loss (BDLoss) function, focusing on learning texture regions while disregarding redundant computations in smooth regions. After joint training of HES and BDLoss to rectify these imbalances, we present a gradient projection dynamic inference strategy to facilitate accurate and efficient inference. Extensive experiments across various models, datasets, and scale factors demonstrate that our method achieves comparable or superior performance to existing approaches with about 34\% reduction in computational cost.

Tiny machine learning (TinyML) aims to run ML models on small devices and is increasingly favored for its enhanced privacy, reduced latency, and low cost. Recently, the advent of tiny AI accelerators has revolutionized the TinyML field by significantly enhancing hardware processing power. These accelerators, equipped with multiple parallel processors and dedicated per-processor memory instances, offer substantial performance improvements over traditional microcontroller units (MCUs). However, their limited data memory often necessitates downsampling input images, resulting in accuracy degradation. To address this challenge, we propose Data channel EXtension (DEX), a novel approach for efficient CNN execution on tiny AI accelerators. DEX incorporates additional spatial information from original images into input images through patch-wise even sampling and channel-wise stacking, effectively extending data across input channels. By leveraging underutilized processors and data memory for channel extension, DEX facilitates parallel execution without increasing inference latency. Our evaluation with four models and four datasets on tiny AI accelerators demonstrates that this simple idea improves accuracy on average by 3.5%p while keeping the inference latency the same on the AI accelerator. The source code is available at https://github.com/Nokia-Bell-Labs/data-channel-extension.

Video representation is a long-standing problem that is crucial for various downstream tasks, such as tracking, depth prediction, segmentation, view synthesis, and editing. However, current methods either struggle to model complex motions due to the absence of 3D structure or rely on implicit 3D representations that are ill-suited for manipulation tasks. To address these challenges, we introduce a novel explicit 3D representation—video Gaussian representation—that embeds a video into 3D Gaussians. Our proposed representation models video appearance in a 3D canonical space using explicit Gaussians as proxies and associates each Gaussian with 3D motions for video motion. This approach offers a more intrinsic and explicit representation than layered atlas or volumetric pixel matrices. To obtain such a representation, we distill 2D priors, such as optical flow and depth, from foundation models to regularize learning in this ill-posed setting.Extensive applications demonstrate the versatility of our new video representation. It has been proven effective in numerous video processing tasks, including tracking, consistent video depth and feature refinement, motion and appearance editing, and stereoscopic video generation.

Although 3D Gaussian Splatting has been widely studied because of its realistic and efficient novel-view synthesis, it is still challenging to extract a high-quality surface from the point-based representation. Previous works improve the surface by incorporating geometric priors from the off-the-shelf normal estimator. However, there are two main limitations: 1) Supervising normal rendered from 3D Gaussians updates only the rotation parameter while neglecting other geometric parameters; 2) The inconsistency of predicted normal maps across multiple views may lead to severe reconstruction artifacts. In this paper, we propose a Depth-Normal regularizer that directly couples normal with other geometric parameters, leading to full updates of the geometric parameters from normal regularization. We further propose a confidence term to mitigate inconsistencies of normal predictions across multiple views. Moreover, we also introduce a densification and splitting strategy to regularize the size and distribution of 3D Gaussians for more accurate surface modeling. Compared with Gaussian-based baselines, experiments show that our approach obtains better reconstruction quality and maintains competitive appearance quality at faster training speed and 100+ FPS rendering. Our code will be made open-source upon paper acceptance.

Modeling the shape of garments has received much attention, but most existing approaches assume the garments to be worn by someone, which constrains the range of shapes they can assume. In this work, we address shape recovery when garments are being manipulated instead of worn, which gives rise to an even larger range of possible shapes. To this end, we leverage the implicit sewing patterns (ISP) model for garment modeling and extend it by adding a diffusion-based deformation prior to represent these shapes. To recover 3D garment shapes from incomplete 3D point clouds acquired when the garment is folded, we map the points to UV space, in which our priors are learned, to produce partial UV maps, and then fit the priors to recover complete UV maps and 2D to 3D mappings. Experimental results demonstrate the superior reconstruction accuracy of our method compared to previous ones, especially when dealing with large non-rigid deformations arising from the manipulations.

Video diffusion models are able to generate high-quality videos by learning strong spatial-temporal priors on large-scale datasets. In this paper, we aim to investigate whether such priors derived from a generative process are suitable for video recognition, and eventually joint optimization of generation and recognition. Building upon Stable Video Diffusion, we introduce GenRec, the first unified framework trained with a random-frame conditioning process so as to learn generalized spatial-temporal representations. The resulting framework can naturally supports generation and recognition, and more importantly is robust even when visual inputs contain limited information. Extensive experiments demonstrate the efficacy of GenRec for both recognition and generation. In particular, GenRec achieves competitive recognition performance, offering 75.8% and 87.2% accuracy on SSV2 and K400, respectively. GenRec also performs the best on class-conditioned image-to-video generation, achieving 46.5 and 49.3 FVD scores on SSV2 and EK-100 datasets. Furthermore, GenRec demonstrates extraordinary robustness in scenarios that only limited frames can be observed. Code will be available at https://github.com/wengzejia1/GenRec.

Reconstructing a continuous surface from a raw 3D point cloud is a challenging task. Latest methods employ supervised learning or pretrained priors to learn a signed distance function (SDF). However, neural networks tend to smooth local details due to the lack of ground truth signed distnaces or normals, which limits the performance of learning-based methods in reconstruction tasks. To resolve this issue, we propose a novel method, named MultiPull, to learn multi-scale implicit fields from raw point clouds to optimize accurate SDFs from coarse to fine. We achieve this by mapping 3D query points into a set of frequency features, which makes it possible to leverage multi-level features during optimization. Meanwhile, we introduce optimization constraints from the perspective of spatial distance and normal consistency, which play a key role in point cloud reconstruction based on multi-scale optimization strategies. Our experiments on widely used object and scene benchmarks demonstrate that our method outperforms the state-of-the-art methods in surface reconstruction.

Inverse rendering methods have achieved remarkable performance in reconstructing high-fidelity 3D objects with disentangled geometries, materials, and environmental light. However, they still face huge challenges in reflective surface reconstruction. Although recent methods model the light trace to learn specularity, the ignorance of indirect illumination makes it hard to handle inter-reflections among multiple smooth objects. In this work, we propose Ref-MC2 that introduces the multi-time Monte Carlo sampling which comprehensively computes the environmental illumination and meanwhile considers the reflective light from object surfaces. To address the computation challenge as the times of Monte Carlo sampling grow, we propose a specularity-adaptive sampling strategy, significantly reducing the computational complexity. Besides the computational resource, higher geometry accuracy is also required because geometric errors accumulate multiple times. Therefore, we further introduce a reflection-aware surface model to initialize the geometry and refine it during inverse rendering. We construct a challenging dataset containing scenes with multiple objects and inter-reflections. Experiments show that our method outperforms other inverse rendering methods on various object groups. We also show downstream applications, e.g., relighting and material editing, to illustrate the disentanglement ability of our method.

Image relighting is the task of showing what a scene from a source image would look like if illuminated differently. Inverse graphic schemes recover an explicit representation of geometry and a set of chosen intrinsics, then relight with some form of renderer. But error control for inverse graphics is difficult, and inverse graphics methods can represent only the effects of the chosen intrinsics. This paper describes a relighting method that is entirely data-driven, where intrinsics and lighting are each represented as latent variables. Our approach produces SOTA relightings of real scenes, as measured by standard metrics. We show that albedo can be recovered from our latent intrinsics without using any example albedos, and that the albedos recovered are competitive with SOTA methods.

Image Signal Processors (ISPs) convert raw sensor signals into digital images, which significantly influence the image quality and the performance of downstream computer vision tasks. Designing ISP pipeline and tuning ISP parameters are two key steps for building an imaging and vision system. To find optimal ISP configurations, recent works use deep neural networks as a proxy to search for ISP parameters or ISP pipelines. However, these methods are primarily designed to maximize the image quality, which are sub-optimal in the performance of high-level computer vision tasks such as detection, recognition, and tracking. Moreover, after training, the learned ISP pipelines are mostly fixed at the inference time, whose performance degrades in dynamic scenes. To jointly optimize ISP structures and parameters, we propose AdaptiveISP, a task-driven and scene-adaptive ISP. One key observation is that for the majority of input images, only a few processing modules are needed to improve the performance of downstream recognition tasks, and only a few inputs require more processing. Based on this, AdaptiveISP utilizes deep reinforcement learning to automatically generate an optimal ISP pipeline and the associated ISP parameters to maximize the detection performance. Experimental results show that AdaptiveISP not only surpasses the prior state-of-the-art methods for object detection but also dynamically manages the trade-off between detection performance and computational cost, especially suitable for scenes with large dynamic range variations.Project website: https://openimaginglab.github.io/AdaptiveISP/.

A straightforward pipeline for zero-shot out-of-distribution (OOD) detection involves selecting potential OOD labels from an extensive semantic pool and then leveraging a pre-trained vision-language model to perform classification on both in-distribution (ID) and OOD labels. In this paper, we theorize that enhancing performance requires expanding the semantic pool, while increasing the expected probability of selected OOD labels being activated by OOD samples, and ensuring low mutual dependence among the activations of these OOD labels. A natural expansion manner is to adopt a larger lexicon; however, the inevitable introduction of numerous synonyms and uncommon words fails to meet the above requirements, indicating that viable expansion manners move beyond merely selecting words from a lexicon. Since OOD detection aims to correctly classify input images into ID/OOD class groups, we can "make up" OOD label candidates which are not standard class names but beneficial for the process. Observing that the original semantic pool is comprised of unmodified specific class names, we correspondingly construct a conjugated semantic pool (CSP) consisting of modified superclass names, each serving as a cluster center for samples sharing similar properties across different categories. Consistent with our established theory, expanding OOD label candidates with the CSP satisfies the requirements and outperforms existing works by 7.89% in FPR95. Codes are available in https://github.com/MengyuanChen21/NeurIPS2024-CSP.

Generating realistic and diverse layouts of furnished indoor 3D scenes unlocks multiple interactive applications impacting a wide range of industries. The inherent complexity of object interactions, the limited amount of available data and the requirement to fulfill spatial constraints all make generative modeling for 3D scene synthesis and arrangement challenging. Current methods address these challenges autoregressively or by using off-the-shelf diffusion objectives by simultaneously predicting all attributes without 3D reasoning considerations. In this paper, we introduce DeBaRA, a score-based model specifically tailored for precise, controllable and flexible arrangement generation in a bounded environment. We argue that the most critical component of a scene synthesis system is to accurately establish the size and position of various objects within a restricted area. Based on this insight, we propose a lightweight conditional score-based model designed with 3D spatial awareness at its core. We demonstrate that by focusing on spatial attributes of objects, a single trained DeBaRA model can be leveraged at test time to perform several downstream applications such as scene synthesis, completion and re-arrangement. Further, we introduce a novel Self Score Evaluation procedure so it can be optimally employed alongside external LLM models. We evaluate our approach through extensive experiments and demonstrate significant improvement upon state-of-the-art approaches in a range of scenarios.

Atmospheric turbulence, caused by random fluctuations in the atmosphere's refractive index, introduces complex spatio-temporal distortions in imagery captured at long range. Video Atmospheric Turbulence Mitigation (ATM) aims to restore videos affected by these distortions. However, existing video ATM methods, both supervised and self-supervised, struggle to maintain temporally consistent mitigation across frames, leading to visually incoherent results. This limitation arises from the stochastic nature of atmospheric turbulence, which varies across space and time. Inspired by the observation that atmospheric turbulence induces high-frequency temporal variations, we propose ConVRT, a novel framework for consistent video restoration through turbulence. ConVRT introduces a neural video representation that explicitly decouples spatial and temporal information into a spatial content field and a temporal deformation field, enabling targeted regularization of the network's temporal representation capability. By leveraging the low-pass filtering properties of the regularized temporal representations, ConVRT effectively mitigates turbulence-induced temporal frequency variations and promotes temporal consistency. Furthermore, our training framework seamlessly integrates supervised pre-training on synthetic turbulence data with self-supervised learning on real-world videos, significantly improving the temporally consistent mitigation of ATM methods on diverse real-world data. More information can be found on our project page: https://convrt-2024.github.io/

This paper explores the problem of class-generalizable anomaly detection, where the objective is to train one unified AD model that can generalize to detect anomalies in diverse classes from different domains without any retraining or fine-tuning on the target data. Because normal feature representations vary significantly across classes, this will cause the widely studied one-for-one AD models to be poorly classgeneralizable (i.e., performance drops dramatically when used for new classes). In this work, we propose a simple but effective framework (called ResAD) that can be directly applied to detect anomalies in new classes. Our main insight is to learn the residual feature distribution rather than the initial feature distribution. In this way, we can significantly reduce feature variations. Even in new classes, the distribution of normal residual features would not remarkably shift from the learned distribution. Therefore, the learned model can be directly adapted to new classes. ResAD consists of three components: (1) a Feature Converter that converts initial features into residual features; (2) a simple and shallow Feature Constraintor that constrains normal residual features into a spatial hypersphere for further reducing feature variations and maintaining consistency in feature scales among different classes; (3) a Feature Distribution Estimator that estimates the normal residual feature distribution, anomalies can be recognized as out-of-distribution. Despite the simplicity, ResAD can achieve remarkable anomaly detection results when directly used in new classes. The code is available at https://github.com/xcyao00/ResAD.

The past decade has witnessed an increasing demand for enhancing image quality through exposure, and as a crucial prerequisite in this endeavor, Image Exposure Assessment (IEA) is now being accorded serious attention. However, IEA encounters two persistent challenges that remain unresolved over the long term: the accuracy and generalizability of No-reference IEA are inadequate for practical applications; the scope of IEA is confined to qualitative and quantitative analysis of the entire image or subimage, such as providing only a score to evaluate the exposure level, thereby lacking intuitive and precise fine-grained evaluation for complex exposure conditions. The objective of this paper is to address the persistent bottleneck challenges from three perspectives: model, dataset, and benchmark. 1) Model-level: we propose a Pixel-level IEA Network (P-IEANet) that utilizes Haar discrete wavelet transform (DWT) to analyze, decompose, and assess exposure from both lightness and structural perspectives, capable of generating pixel-level assessment results under no-reference scenarios. 2) Dataset-level: we elaborately build an exposure-oriented dataset, IEA40K, containing 40K images, covering 17 typical lighting scenarios, 27 devices, and 50+ scenes, with each image densely annotated by more than 10 experts with pixel-level labels. 3) Benchmark-level: we develop a comprehensive benchmark of 19 methods based on IEA40K. Our P-IEANet not only achieves state-of-the-art (SOTA) performance on all metrics but also seamlessly integrates with existing exposure correction and lighting enhancement methods. To our knowledge, this is the first work that explicitly emphasizes assessing complex image exposure problems at a pixel level, providing a significant boost to the IEA and exposure-related community. The code and dataset are available in \href{https://github.com/mRobotit/Pixel-level-No-reference-Image-Exposure-Assessment}{\textcolor{red} {here}}.

In Open-Set Domain Generalization (OSDG), the model is exposed to both new variations of data appearance (domains) and open-set conditions, where both known and novel categories are present at test time. The challenges of this task arise from the dual need to generalize across diverse domains and accurately quantify category novelty, which is critical for applications in dynamic environments. Recently, meta-learning techniques have demonstrated superior results in OSDG, effectively orchestrating the meta-train and -test tasks by employing varied random categories and predefined domain partition strategies. These approaches prioritize a well-designed training schedule over traditional methods that focus primarily on data augmentation and the enhancement of discriminative feature learning. The prevailing meta-learning models in OSDG typically utilize a predefined sequential domain scheduler to structure data partitions. However, a crucial aspect that remains inadequately explored is the influence brought by strategies of domain schedulers during training. In this paper, we observe that an adaptive domain scheduler benefits more in OSDG compared with prefixed sequential and random domain schedulers. We propose the Evidential Bi-Level Hardest Domain Scheduler (EBiL-HaDS) to achieve an adaptive domain scheduler. This method strategically sequences domains by assessing their reliabilities in utilizing a follower network, trained with confidence scores learned in an evidential manner, regularized by max rebiasing discrepancy, and optimized in a bilevel manner. We verify our approach on three OSDG benchmarks, i.e., PACS, DigitsDG, and OfficeHome. The results show that our method substantially improves OSDG performance and achieves more discriminative embeddings for both the seen and unseen categories, underscoring the advantage of a judicious domain scheduler for the generalizability to unseen domains and unseen categories. The source code is publicly available at https://github.com/KPeng9510/EBiL-HaDS.

Deep networks are known to be vulnerable to adversarial examples which are deliberately designed to mislead the trained model by introducing imperceptible perturbations to input samples. Compared to traditional perturbations crafted specifically for each data point, Universal Adversarial Perturbations (UAPs) are input-agnostic and shown to be more practical in the real world. However, UAPs are typically generated in a close-set scenario that shares the same classification task during the training and testing phases. This paper demonstrates the ineffectiveness of traditional UAPs in open-set scenarios like Few-Shot Learning (FSL). Through analysis, we identify two primary challenges that hinder the attacking process: the task shift and the semantic shift. To enhance the transferability of UAPs in FSL, we propose a unifying attacking framework addressing these two shifts. The task shift is addressed by aligning proxy tasks to the downstream tasks, while the semantic shift is handled by leveraging the generalizability of pre-trained encoders.The proposed Few-Shot Attacking FrameWork, denoted as FSAFW, can effectively generate UAPs across various FSL training paradigms and different downstream tasks. Our approach not only sets a new standard for state-of-the-art works but also significantly enhances attack performance, exceeding the baseline method by over 16\%.

The recent advancements in 3D Gaussian splatting (3D-GS) have not only facilitated real-time rendering through modern GPU rasterization pipelines but have also attained state-of-the-art rendering quality. Nevertheless, despite its exceptional rendering quality and performance on standard datasets, 3D-GS frequently encounters difficulties in accurately modeling specular and anisotropic components. This issue stems from the limited ability of spherical harmonics (SH) to represent high-frequency information. To overcome this challenge, we introduce Spec-Gaussian, an approach that utilizes an anisotropic spherical Gaussian (ASG) appearance field instead of SH for modeling the view-dependent appearance of each 3D Gaussian. Additionally, we have developed a coarse-to-fine training strategy to improve learning efficiency and eliminate floaters caused by overfitting in real-world scenes. Our experimental results demonstrate that our method surpasses existing approaches in terms of rendering quality. Thanks to ASG, we have significantly improved the ability of 3D-GS to model scenes with specular and anisotropic components without increasing the number of 3D Gaussians. This improvement extends the applicability of 3D GS to handle intricate scenarios with specular and anisotropic surfaces.

Online continual learning (OCL) requires the models to learn from constant, endless streams of data. While significant efforts have been made in this field, most were focused on mitigating the \textit{catastrophic forgetting} issue to achieve better classification ability, at the cost of a much heavier training workload. They overlooked that in real-world scenarios, e.g., in high-speed data stream environments, data do not pause to accommodate slow models. In this paper, we emphasize that \textit{model throughput}-- defined as the maximum number of training samples that a model can process within a unit of time -- is equally important. It directly limits how much data a model can utilize and presents a challenging dilemma for current methods. With this understanding, we revisit key challenges in OCL from both empirical and theoretical perspectives, highlighting two critical issues beyond the well-documented catastrophic forgetting: (\romannumeral1) Model's ignorance: the single-pass nature of OCL challenges models to learn effective features within constrained training time and storage capacity, leading to a trade-off between effective learning and model throughput; (\romannumeral2) Model's myopia: the local learning nature of OCL on the current task leads the model to adopt overly simplified, task-specific features and \textit{excessively sparse classifier}, resulting in the gap between the optimal solution for the current task and the global objective. To tackle these issues, we propose the Non-sparse Classifier Evolution framework (NsCE) to facilitate effective global discriminative feature learning with minimal time cost. NsCE integrates non-sparse maximum separation regularization and targeted experience replay techniques with the help of pre-trained models, enabling rapid acquisition of new globally discriminative features. Extensive experiments demonstrate the substantial improvements of our framework in performance, throughput and real-world practicality.

Despite the significant achievements of Vision Transformers (ViTs) in various vision tasks, they are constrained by the quadratic complexity. Recently, State Space Models (SSMs) have garnered widespread attention due to their global receptive field and linear complexity with respect to the input length, demonstrating substantial potential across fields including natural language processing and computer vision. To improve the performance of SSMs in vision tasks, a multi-scan strategy is widely adopted, which leads to significant redundancy of SSMs. For a better trade-off between efficiency and performance, we analyze the underlying reasons behind the success of the multi-scan strategy, where long-range dependency plays an important role. Based on the analysis, we introduce Multi-Scale Vision Mamba (MSVMamba) to preserve the superiority of SSMs in vision tasks with limited parameters. It employs a multi-scale 2D scanning technique on both original and downsampled feature maps, which not only benefits long-range dependency learning but also reduces computational costs. Additionally, we integrate a Convolutional Feed-Forward Network (ConvFFN) to address the lack of channel mixing. Our experiments demonstrate that MSVMamba is highly competitive, with the MSVMamba-Tiny model achieving 83.0% top-1 accuracy on ImageNet, 46.9% box mAP, and 42.5% instance mAP with the Mask R-CNN framework, 1x training schedule on COCO, and 47.9% mIoU with single-scale testing on ADE20K. Code is available at https://github.com/YuHengsss/MSVMamba.

Humans can effortlessly draw new categories from a single exemplar, a feat that has long posed a challenge for generative models. However, this gap has started to close with recent advances in diffusion models. This one-shot drawing task requires powerful inductive biases that have not been systematically investigated. Here, we study how different inductive biases shape the latent space of Latent Diffusion Models (LDMs). Along with standard LDM regularizers (KL and vector quantization), we explore supervised regularizations (including classification and prototype-based representation) and contrastive inductive biases (using SimCLR and redundancy reduction objectives). We demonstrate that LDMs with redundancy reduction and prototype-based regularizations produce near-human-like drawings (regarding both samples' recognizability and originality) -- better mimicking human perception (as evaluated psychophysically). Overall, our results suggest that the gap between humans and machines in one-shot drawings is almost closed.

Visual text generation has significantly advanced through diffusion models aimed at producing images with readable and realistic text. Recent works primarily use a ControlNet-based framework, employing standard font text images to control diffusion models. Recognizing the critical role of control information in generating high-quality text, we investigate its influence from three perspectives: input encoding, role at different stages, and output features. Our findings reveal that: 1) Input control information has unique characteristics compared to conventional inputs like Canny edges and depth maps. 2) Control information plays distinct roles at different stages of the denoising process. 3) Output control features significantly differ from the base and skip features of the U-Net decoder in the frequency domain. Based on these insights, we propose TextGen, a novel framework designed to enhance generation quality by optimizing control information. We improve input and output features using Fourier analysis to emphasize relevant information and reduce noise. Additionally, we employ a two-stage generation framework to align the different roles of control information at different stages. Furthermore, we introduce an effective and lightweight dataset for training. Our method achieves state-of-the-art performance in both Chinese and English text generation. The code and dataset are available at https://github.com/CyrilSterling/TextGen.

Neural network architecture design requires making many crucial decisions. The common desiderata is that similar decisions, with little modifications, can be reused in a variety of tasks and applications. To satisfy that, architectures must provide promising latency and performance trade-offs, support a variety of tasks, scale efficiently with respect to the amounts of data and compute, leverage available data from other tasks, and efficiently support various hardware. To this end, we introduce AsCAN---a hybrid architecture, combining both convolutional and transformer blocks. We revisit the key design principles of hybrid architectures and propose a simple and effective \emph{asymmetric} architecture, where the distribution of convolutional and transformer blocks is \emph{asymmetric}, containing more convolutional blocks in the earlier stages, followed by more transformer blocks in later stages. AsCAN supports a variety of tasks: recognition, segmentation, class-conditional image generation, and features a superior trade-off between performance and latency. We then scale the same architecture to solve a large-scale text-to-image task and show state-of-the-art performance compared to the most recent public and commercial models. Notably, without performing any optimization of inference time our model shows faster execution, even when compared to works that do such optimization, highlighting the advantages and the value of our approach.

Rectified flow and reflow procedures have significantly advanced fast generation by progressively straightening ordinary differential equation (ODE) flows under the assumption that image and noise pairs, known as coupling, can be approximated by straight trajectories with constant velocity. However, we observe that the constant velocity modeling and reflow procedures have limitations in accurately learning to couple with flow crossing, leading to suboptimal few-step generation. To overcome the limitations, we introduce the Constant Acceleration Flow (CAF), a novel framework based on a simple constant acceleration equation. Additionally, we propose two techniques to improve estimation accuracy: initial velocity conditioning for the acceleration model and a reflow process for the initial velocity. Our comparative studies show that CAF not only outperforms rectified flow with reflow procedures in terms of speed and accuracy but also demonstrates substantial improvements in preserving coupling for fast generation.

Neural representations for 3D scenes have made substantial advancements recently, yet object removal remains a challenging yet practical issue, due to the absence of multi-view supervision over occluded areas. Diffusion Models (DMs), trained on extensive 2D images, show diverse and high-fidelity generative capabilities in the 2D domain. However, due to not being specifically trained on 3D data, their application to multi-view data often exacerbates inconsistency, hence impacting the overall quality of the 3D output. To address these issues, we introduce "In-N-Out", a novel approach that begins by inpainting a prior, i.e., the occluded area from a single view using DMs, followed by outstretching it to create multi-view inpaintings via latents alignments. Our analysis identifies that the variability in DMs' outputs mainly arises from initially sampled latents and intermediate latents predicted in the denoising process. We explicitly align of initial latents using a Neural Radiance Field (NeRF) to establish a consistent foundational structure in the inpainted area, complemented by an implicit alignment of intermediate latents through cross-view attention during the denoising phases, enhancing appearance consistency across views. To further enhance rendering results, we apply a patch-based hybrid loss to optimize NeRF. We demonstrate that our techniques effectively mitigate the challenges posed by inconsistencies in DMs and substantially improve the fidelity and coherence of inpainted 3D representations.

Recent controllable generation approaches such as FreeControl and Diffusion Self-Guidance bring fine-grained spatial and appearance control to text-to-image (T2I) diffusion models without training auxiliary modules. However, these methods optimize the latent embedding for each type of score function with longer diffusion steps, making the generation process time-consuming and limiting their flexibility and use. This work presents Ctrl-X, a simple framework for T2I diffusion controlling structure and appearance without additional training or guidance. Ctrl-X designs feed-forward structure control to enable the structure alignment with a structure image and semantic-aware appearance transfer to facilitate the appearance transfer from a user-input image. Extensive qualitative and quantitative experiments illustrate the superior performance of Ctrl-X on various condition inputs and model checkpoints. In particular, Ctrl-X supports novel structure and appearance control with arbitrary condition images of any modality, exhibits superior image quality and appearance transfer compared to existing works, and provides instant plug-and-play functionality to any T2I and text-to-video (T2V) diffusion model. See our project page for the code and an overview of the results: https://genforce.github.io/ctrl-x

Hair editing is a critical image synthesis task that aims to edit hair color and hairstyle using text descriptions or reference images, while preserving irrelevant attributes (e.g., identity, background, cloth). Many existing methods are based on StyleGAN to address this task. However, due to the limited spatial distribution of StyleGAN, it struggles with multiple hair color editing and facial preservation. Considering the advancements in diffusion models, we utilize Latent Diffusion Models (LDMs) for hairstyle editing. Our approach introduces Multi-stage Hairstyle Blend (MHB), effectively separating control of hair color and hairstyle in diffusion latent space. Additionally, we train a warping module to align the hair color with the target region. To further enhance multi-color hairstyle editing, we fine-tuned a CLIP model using a multi-color hairstyle dataset. Our method not only tackles the complexity of multi-color hairstyles but also addresses the challenge of preserving original colors during diffusion editing. Extensive experiments showcase the superiority of our method in editing multi-color hairstyles while preserving facial attributes given textual descriptions and reference images.

Image fusion aims to integrate complementary information from multiple input images acquired through various sources to synthesize a new fused image. Existing methods usually employ distinct constraint designs tailored to specific scenes, forming fixed fusion paradigms. However, this data-driven fusion approach is challenging to deploy in varying scenarios, especially in rapidly changing environments. To address this issue, we propose a conditional controllable fusion (CCF) framework for general image fusion tasks without specific training. Due to the dynamic differences of different samples, our CCF employs specific fusion constraints for each individual in practice. Given the powerful generative capabilities of the denoising diffusion model, we first inject the specific constraints into the pre-trained DDPM as adaptive fusion conditions. The appropriate conditions are dynamically selected to ensure the fusion process remains responsive to the specific requirements in each reverse diffusion stage. Thus, CCF enables conditionally calibrating the fused images step by step. Extensive experiments validate our effectiveness in general fusion tasks across diverse scenarios against the competing methods without additional training. The code is publicly available.

We present Diffusion-KTO, a novel approach for aligning text-to-image diffusion models by formulating the alignment objective as the maximization of expected human utility. Unlike previous methods, Diffusion-KTO does not require collecting pairwise preference data nor training a complex reward model. Instead, our objective uses per-image binary feedback signals, e.g. likes or dislikes, to align the model with human preferences. After fine-tuning using Diffusion-KTO, text-to-image diffusion models exhibit improved performance compared to existing techniques, including supervised fine-tuning and Diffusion-DPO, both in terms of human judgment and automatic evaluation metrics such as PickScore and ImageReward. Overall, Diffusion-KTO unlocks the potential of leveraging readily available per-image binary preference signals and broadens the applicability of aligning text-to-image diffusion models with human preferences.

Controllable text-to-image (T2I) diffusion models have shown impressive performance in generating high-quality visual content through the incorporation of various conditions. Current methods, however, exhibit limited performance when guided by skeleton human poses, especially in complex pose conditions such as side or rear perspectives of human figures. To address this issue, we present Stable-Pose, a novel adapter model that introduces a coarse-to-fine attention masking strategy into a vision Transformer (ViT) to gain accurate pose guidance for T2I models. Stable-Pose is designed to adeptly handle pose conditions within pre-trained Stable Diffusion, providing a refined and efficient way of aligning pose representation during image synthesis. We leverage the query-key self-attention mechanism of ViTs to explore the interconnections among different anatomical parts in human pose skeletons. Masked pose images are used to smoothly refine the attention maps based on target pose-related features in a hierarchical manner, transitioning from coarse to fine levels. Additionally, our loss function is formulated to allocate increased emphasis to the pose region, thereby augmenting the model's precision in capturing intricate pose details. We assessed the performance of Stable-Pose across five public datasets under a wide range of indoor and outdoor human pose scenarios. Stable-Pose achieved an AP score of 57.1 in the LAION-Human dataset, marking around 13\% improvement over the established technique ControlNet. The project link and code is available at https://github.com/ai-med/StablePose.

Recently, diffusion models have emerged as a powerful class of generative models. Despite their success, there is still limited understanding of their semantic spaces. This makes it challenging to achieve precise and disentangled image generation without additional training, especially in an unsupervised way. In this work, we improve the understanding of their semantic spaces from intriguing observations: among a certain range of noise levels, (1) the learned posterior mean predictor (PMP) in the diffusion model is locally linear, and (2) the singular vectors of its Jacobian lie in low-dimensional semantic subspaces. We provide a solid theoretical basis to justify the linearity and low-rankness in the PMP. These insights allow us to propose an unsupervised, single-step, training-free LOw-rank COntrollable image editing (LOCO Edit) method for precise local editing in diffusion models. LOCO Edit identified editing directions with nice properties: homogeneity, transferability, composability, and linearity. These properties of LOCO Edit benefit greatly from the low-dimensional semantic subspace.Our method can further be extended to unsupervised or text-supervised editing in various text-to-image diffusion models (T-LOCO Edit). Finally, extensive empirical experiments demonstrate the effectiveness and efficiency of LOCO Edit. The code and the arXiv version can be found on the project website.

To build photorealistic avatars that users can embody, human modelling must be complete (cover the full body), driveable (able to reproduce the current motion and appearance from the user), and generalizable (i.e., easily adaptable to novel identities).Towards these goals, paired captures, that is, captures of the same subject obtained from systems of diverse quality and availability, are crucial.However, paired captures are rarely available to researchers outside of dedicated industrial labs: Codec Avatar Studio is our proposal to close this gap.Towards generalization and driveability, we introduce a dataset of 256 subjects captured in two modalities: high resolution multi-view scans of their heads, and video from the internal cameras of a headset.Towards completeness, we introduce a dataset of 4 subjects captured in eight modalities: high quality relightable multi-view captures of heads and hands, full body multi-view captures with minimal and regular clothes, and corresponding head, hands and body phone captures.Together with our data, we also provide code and pre-trained models for different state-of-the-art human generation models.We hope Codec Avatar Studio will serve as a toolkit to accelerate academic engagement with the core problems of telepresence.

Illustration is a fundamental mode of human expression and communication. Certain types of motion that accompany speech can provide this illustrative mode of communication. While Augmented and Virtual Reality technologies (AR/VR) have introduced tools for producing drawings with hand motions (air drawing), they typically require costly hardware and additional digital markers, thereby limiting their accessibility and portability. Furthermore, air drawing demands considerable skill to achieve aesthetic results. To address these challenges, we introduce the concept of AirSketch, aimed at generating faithful and visually coherent sketches directly from hand motions, eliminating the need for complicated headsets or markers. We devise a simple augmentation-based self-supervised training procedure, enabling a controllable image diffusion model to learn to translate from highly noisy hand tracking images to clean, aesthetically pleasing sketches, while preserving the essential visual cues from the original tracking data. We present two air drawing datasets to study this problem. Our findings demonstrate that beyond producing photo-realistic images from precise spatial inputs, controllable image diffusion can effectively produce a refined, clear sketch from a noisy input. Our work serves as an initial step towards marker-less air drawing and reveals distinct applications of controllable diffusion models to AirSketch and AR/VR in general.

Privacy issue is a main concern in developing face recognition techniques. Although synthetic face images can partially mitigate potential legal risks while maintaining effective face recognition (FR) performance, FR models trained by face images synthesized by existing generative approaches frequently suffer from performance degradation problems due to the insufficient discriminative quality of these synthesized samples. In this paper, we systematically investigate what contributes to solid face recognition model training, and reveal that face images with certain degree of similarities to their identity centers show great effectiveness in the performance of trained FR models. Inspired by this, we propose a novel diffusion-based approach (namely Center-based Semi-hard Synthetic FaceGeneration (CemiFace) which produces facial samples with various levels of similarity to the subject center, thus allowing to generate face datasets containing effective discriminative samples for training face recognition. Experimental results show that with a modest degree of similarity, training on the generated dataset can produce competitive performance compared to previous generation methods. The code will be available at:https://github.com/szlbiubiubiu/CemiFace

In this work, we introduce Scribbles for All, a label and training data generation algorithm for semantic segmentation trained on scribble labels. Training or fine-tuning semantic segmentation models with weak supervision has become an important topic recently and was subject to significant advances in model quality. In this setting, scribbles are a promising label type to achieve high quality segmentation results while requiring a much lower annotation effort than usual pixel-wise dense semantic segmentation annotations. The main limitation of scribbles as source for weak supervision is the lack of challenging datasets for scribble segmentation, which hinders the development of novel methods and conclusive evaluations. To overcome this limitation, Scribbles for All provides scribble labels for several popular segmentation datasets and provides an algorithm to automatically generate scribble labels for any dataset with dense annotations, paving the way for new insights and model advancements in the field of weakly supervised segmentation. In addition to providing datasets and algorithm, we evaluate state-of-the-art segmentation models on our datasets and show that the performance relative to supervised models drops to 70-80 % on ADE20K and Cityscapes as opposed to 90 % on ScribbleSup. Moreover, we document diverging robustness against scribble length with the methods. The datasets, scribble generation algorithm, and baselines are publicly available at https://github.com/wbkit/Scribbles4All

The Diffusion Model has not only garnered noteworthy achievements in the realm of image generation but has also demonstrated its potential as an effective pretraining method utilizing unlabeled data. Drawing from the extensive potential unveiled by the Diffusion Model in both semantic correspondence and open vocabulary segmentation, our work initiates an investigation into employing the Latent Diffusion Model for Few-shot Semantic Segmentation.Recently, inspired by the in-context learning ability of large language models, Few-shot Semantic Segmentation has evolved into In-context Segmentation tasks, morphing into a crucial element in assessing generalist segmentation models.In this context, we concentrate on Few-shot Semantic Segmentation, establishing a solid foundation for the future development of a Diffusion-based generalist model for segmentation. Our initial focus lies in understanding how to facilitate interaction between the query image and the support image, resulting in the proposal of a KV fusion method within the self-attention framework.Subsequently, we delve deeper into optimizing the infusion of information from the support mask and simultaneously re-evaluating how to provide reasonable supervision from the query mask.Based on our analysis, we establish a simple and effective framework named DiffewS, maximally retaining the original Latent Diffusion Model's generative framework and effectively utilizing the pre-training prior. Experimental results demonstrate that our method significantly outperforms the previous SOTA models in multiple settings.

Despite their success, unsupervised domain adaptation methods for semantic segmentation primarily focus on adaptation between image domains and do not utilize other abundant visual modalities like depth, infrared and event. This limitation hinders their performance and restricts their application in real-world multimodal scenarios. To address this issue, we propose Modality Adaptation with text-to-image Diffusion Models (MADM) for semantic segmentation task which utilizes text-to-image diffusion models pre-trained on extensive image-text pairs to enhance the model's cross-modality capabilities. Specifically, MADM comprises two key complementary components to tackle major challenges. First, due to the large modality gap, using one modal data to generate pseudo labels for another modality suffers from a significant drop in accuracy. To address this, MADM designs diffusion-based pseudo-label generation which adds latent noise to stabilize pseudo-labels and enhance label accuracy. Second, to overcome the limitations of latent low-resolution features in diffusion models, MADM introduces the label palette and latent regression which converts one-hot encoded labels into the RGB form by palette and regresses them in the latent space, thus ensuring the pre-trained decoder for up-sampling to obtain fine-grained features. Extensive experimental results demonstrate that MADM achieves state-of-the-art adaptation performance across various modality tasks, including images to depth, infrared, and event modalities. We open-source our code and models at https://github.com/XiaRho/MADM.

Within the realm of Computer-Aided Design (CAD), Boundary-Representation (B-Rep) is the standard option for modeling shapes. We present SpelsNet, a neural architecture for the segmentation of 3D point clouds into surface primitive elements under topological supervision of its B-Rep graph structure. We also propose a point-to-BRep adjacency representation that allows for adapting conventional Linear Algebraic Representation of B-Rep graph structure to the point cloud domain. Thanks to this representation, SpelsNet learns from both spatial and topological domains to enable accurate and topologically consistent surface primitive element segmentation. In particular, SpelsNet is composed of two main components; (1) a supervised 3D spatial segmentation head that outputs B-Rep element types and memberships; (2) a graph-based head that leverages the proposed topological supervision. To enable the learning of SpelsNet with the proposed point-to-BRep adjacency supervision, we extend two existing CAD datasets with the required annotations, and conduct a thorough experimental validation on them. The obtained results showcase the efficacy of SpelsNet and its topological supervision compared to a set of baselines and state-of-the-art approaches.

Federated Learning (FL) is a form of distributed learning that allows multiple institutions or clients to collaboratively learn a global model to solve a task. This allows the model to utilize the information from every institute while preserving data privacy. However, recent studies show that the promise of protecting the privacy of data is not upheld by existing methods and that it is possible to recreate the training data from the different institutions. This is done by utilizing gradients transferred between the clients and the global server during training or by knowing the model architecture at the client end. In this paper, we propose a federated learning framework for semantic segmentation without knowing the model architecture nor transferring gradients between the client and the server, thus enabling better privacy preservation. We propose \textit{BlackFed} - a black-box adaptation of neural networks that utilizes zero order optimization (ZOO) to update the client model weights and first order optimization (FOO) to update the server weights. We evaluate our approach on several computer vision and medical imaging datasets to demonstrate its effectiveness. To the best of our knowledge, this work is one of the first works in employing federated learning for segmentation, devoid of gradients or model information exchange. Code: https://github.com/JayParanjape/blackfed/tree/master

This paper explores the weakly-supervised referring image segmentation (WRIS) problem, and focuses on a challenging setup where target localization is learned directly from image-text pairs. We note that the input text description typically already contains detailed information on how to localize the target object, and we also observe that humans often follow a step-by-step comprehension process (\ie, progressively utilizing target-related attributes and relations as cues) to identify the target object. Hence, we propose a novel Progressive Comprehension Network (PCNet) to leverage target-related textual cues from the input description for progressively localizing the target object.Specifically, we first use a Large Language Model (LLM) to decompose the input text description into short phrases. These short phrases are taken as target-related cues and fed into a Conditional Referring Module (CRM) in multiple stages, to allow updating the referring text embedding and enhance the response map for target localization in a multi-stage manner.Based on the CRM, we then propose a Region-aware Shrinking (RaS) loss to constrain the visual localization to be conducted progressively in a coarse-to-fine manner across different stages.Finally, we introduce an Instance-aware Disambiguation (IaD) loss to suppress instance localization ambiguity by differentiating overlapping response maps generated by different referring texts on the same image. Extensive experiments show that our method outperforms SOTA methods on three common benchmarks.

Vanilla pixel-level classifiers for semantic segmentation are based on a certain paradigm, involving the inner product of fixed prototypes obtained from the training set and pixel features in the test image. This approach, however, encounters significant limitations, i.e., feature deviation in the semantic domain and information loss in the spatial domain. The former struggles with large intra-class variance among pixel features from different images, while the latter fails to utilize the structured information of semantic objects effectively. This leads to blurred mask boundaries as well as a deficiency of fine-grained recognition capability. In this paper, we propose a novel Semantic and Spatial Adaptive Classifier (SSA-Seg) to address the above challenges. Specifically, we employ the coarse masks obtained from the fixed prototypes as a guide to adjust the fixed prototype towards the center of the semantic and spatial domains in the test image. The adapted prototypes in semantic and spatial domains are then simultaneously considered to accomplish classification decisions. In addition, we propose an online multi-domain distillation learning strategy to improve the adaption process. Experimental results on three publicly available benchmarks show that the proposed SSA-Seg significantly improves the segmentation performance of the baseline models with only a minimal increase in computational cost.

Current approaches for compressing the Segment Anything Model (SAM) yield commendable results, yet necessitate extensive data to train a new network from scratch. Employing conventional pruning techniques can remarkably reduce data requirements but would suffer from a degradation in performance. To address this challenging trade-off, we introduce SlimSAM, a novel data-efficient SAM compression method that achieves superior performance with extremely less training data. The essence of SlimSAM is encapsulated in the alternate slimming framework which effectively enhances knowledge inheritance under severely limited training data availability and exceptional pruning ratio. Diverging from prior techniques, our framework progressively compresses the model by alternately pruning and distilling distinct, decoupled sub-structures. Disturbed Taylor pruning is also proposed to address the misalignment between the pruning objective and training target, thereby boosting the post-distillation after pruning. SlimSAM yields significant performance improvements while demanding over 10 times less training data than any other existing compression methods. Even when compared to the original SAM, SlimSAM achieves approaching performance while reducing parameter counts to merely 1.4% (9.1M), MACs to 0.8% (23G), and requiring only 0.1% (10k) of the SAM training data.

Large-scale vision-language models like CLIP have demonstrated impressive open-vocabulary capabilities for image-level tasks, excelling in recognizing what objects are present. However, they struggle with pixel-level recognition tasks like semantic segmentation, which require understanding where the objects are located. In this work, we propose a novel method, MCLIP, to adapt the CLIP image encoder for pixel-level understanding by guiding the model on where, which is achieved using unlabeled images and masks generated from vision foundation models such as SAM and DINO. To address the challenges of leveraging masks without semantic labels, we devise an online clustering algorithm using learnable class names to acquire general semantic concepts. MCLIP shows significant performance improvements over CLIP and competitive results compared to caption-supervised methods in open-vocabulary semantic segmentation.

The Segment Anything Model (SAM) is a large-scale foundation model that has revolutionized segmentation methodology. Despite its impressive generalization ability, the segmentation accuracy of SAM on images with intricate structures is often unsatisfactory. Recent works have proposed lightweight fine-tuning using high-quality annotated data to improve accuracy on such images. However, here we provide extensive empirical evidence that this strategy leads to forgetting how to "segment anything": these models lose the original generalization abilities of SAM, in the sense that they perform worse for segmentation tasks not represented in the annotated fine-tuning set. To improve performance without forgetting, we introduce a novel framework that combines high-quality annotated data with a large unlabeled dataset. The framework relies on two methodological innovations. First, we quantify the uncertainty in the SAM pseudo labels associated with the unlabeled data and leverage it to perform uncertainty-aware fine-tuning. Second, we encode the type of segmentation task associated with each training example using a $\textit{task prompt}$ to reduce ambiguity. We evaluated the proposed Segmentation with Uncertainty Model (SUM) on a diverse test set consisting of 14 public benchmarks, where it achieves state-of-the-art results. Notably, our method consistently surpasses SAM by 3-6 points in mean IoU and 4-7 in mean boundary IoU across point-prompt interactive segmentation rounds. Code is available at https://github.com/Kangningthu/SUM

Video understanding has witnessed significant progress with recent video foundation models demonstrating strong performance owing to self-supervised pre-training objectives; Masked Autoencoders (MAE) being the design of choice. Nevertheless, the majority of prior works that leverage MAE pre-training have focused on relatively short video representations (16 / 32 frames in length) largely due to hardware memory and compute limitations that scale poorly with video length due to the dense memory-intensive self-attention decoding. One natural strategy to address these challenges is to subsample tokens to reconstruct during decoding (or decoder masking). In this work, we propose an effective strategy for prioritizing tokens which allows training on longer video sequences (128 frames) and gets better performance than, more typical, random and uniform masking strategies. The core of our approach is an adaptive decoder masking strategy that prioritizes the most important tokens and uses quantized tokens as reconstruction objectives. Our adaptive strategy leverages a powerful MAGVIT-based tokenizer that jointly learns the tokens and their priority. We validate our design choices through exhaustive ablations and observe improved performance of the resulting long-video (128 frames) encoders over short-video (32 frames) counterparts. With our long-video masked autoencoder (LVMAE) strategy, we surpass state-of-the-art on Diving48 by 3.9 points and EPIC-Kitchens-100 verb classification by 2.5 points while relying on a simple core architecture and video-only pre-training (unlike some of the prior works that require millions of labeled video-text pairs or specialized encoders).

This paper presents VideoStreaming, an advanced vision-language large model (VLLM) for video understanding, that capably understands arbitrary-length video with a constant number of video tokens streamingly encoded and adaptively selected.The challenge of video understanding in the vision language area mainly lies in the significant computational burden caused by the great number of tokens extracted from long videos. Previous works rely on sparse sampling or frame compression to reduce tokens. However, such approaches either disregard temporal information in a long time span or sacrifice spatial details, resulting in flawed compression. To address these limitations, our VideoStreaming has two core designs: Memory-Propagated Streaming Encoding and Adaptive Memory Selection. The Memory-Propagated Streaming Encoding architecture segments long videos into short clips and sequentially encodes each clip with a propagated memory. In each iteration, we utilize the encoded results of the preceding clip as historical memory, which is integrated with the current clip to distill a condensed representation that encapsulates the video content up to the current timestamp. This method not only incorporates long-term temporal dynamics into the streaming encoding process but also yields a fixed-length memory as a global representation for arbitrarily long videos. After the encoding process, the Adaptive Memory Selection strategy selects a constant number of question-related memories from all the historical memories, and feeds them into the LLM to generate informative responses. The question-related selection reduces redundancy within the memories, enabling efficient and precise video understanding. Meanwhile, the disentangled video extraction and reasoning design allows the LLM to answer different questions about a video by directly selecting corresponding memories, without the need to encode the whole video for each question. Through extensive experiments, our model achieves superior performance and higher efficiency on long video benchmarks, showcasing precise temporal comprehension for detailed question answering.

View-predictive generative models provide strong priors for lifting object-centric images and videos into 3D and 4D through rendering and score distillation objectives. A question then remains: what about lifting complete multi-object dynamic scenes? There are two challenges in this direction: First, rendering error gradients are often insufficient to recover fast object motion, and second, view predictive generative models work much better for objects than whole scenes, so, score distillation objectives cannot currently be applied at the scene level directly. We present DreamScene4D, the first approach to generate 3D dynamic scenes of multiple objects from monocular videos via 360-degree novel view synthesis. Our key insight is a "decompose-recompose" approach that factorizes the video scene into the background and object tracks, while also factorizing object motion into 3 components: object-centric deformation, object-to-world-frame transformation, and camera motion. Such decomposition permits rendering error gradients and object view-predictive models to recover object 3D completions and deformations while bounding box tracks guide the large object movements in the scene. We show extensive results on challenging DAVIS, Kubric, and self-captured videos with quantitative comparisons and a user preference study. Besides 4D scene generation, DreamScene4D obtains accurate 2D persistent point track by projecting the inferred 3D trajectories to 2D. We will release our code and hope our work will stimulate more research on fine-grained 4D understanding from videos.

Skeleton-based multi-entity action recognition is a challenging task aiming to identify interactive actions or group activities involving multiple diverse entities. Existing models for individuals often fall short in this task due to the inherent distribution discrepancies among entity skeletons, leading to suboptimal backbone optimization. To this end, we introduce a Convex Hull Adaptive Shift based multi-Entity action recognition method (CHASE), which mitigates inter-entity distribution gaps and unbiases subsequent backbones. Specifically, CHASE comprises a learnable parameterized network and an auxiliary objective. The parameterized network achieves plausible, sample-adaptive repositioning of skeleton sequences through two key components. First, the Implicit Convex Hull Constrained Adaptive Shift ensures that the new origin of the coordinate system is within the skeleton convex hull. Second, the Coefficient Learning Block provides a lightweight parameterization of the mapping from skeleton sequences to their specific coefficients in convex combinations. Moreover, to guide the optimization of this network for discrepancy minimization, we propose the Mini-batch Pair-wise Maximum Mean Discrepancy as the additional objective. CHASE operates as a sample-adaptive normalization method to mitigate inter-entity distribution discrepancies, thereby reducing data bias and improving the subsequent classifier's multi-entity action recognition performance. Extensive experiments on six datasets, including NTU Mutual 11/26, H2O, Assembly101, Collective Activity and Volleyball, consistently verify our approach by seamlessly adapting to single-entity backbones and boosting their performance in multi-entity scenarios. Our code is publicly available at https://github.com/Necolizer/CHASE .

Three-dimensional (3D) understanding of objects and scenes play a key role in humans' ability to interact with the world and has been an active area of research in computer vision, graphics, and robotics. Large scale synthetic and object-centric 3D datasets have shown to be effective in training models that have 3D understanding of objects. However, applying a similar approach to real-world objects and scenes is difficult due to a lack of large-scale data. Videos are a potential source for real-world 3D data, but finding diverse yet corresponding views of the same content have shown to be difficult at scale. Furthermore, standard videos come with fixed viewpoints, determined at the time of capture. This restricts the ability to access scenes from a variety of more diverse and potentially useful perspectives. We argue that large scale ODIN videos can address these limitations to provide scalable corresponding frames from diverse views. In this paper we introduce 360-1M, a 360° video dataset consisting of 1 million videos, and a process for efficiently finding corresponding frames from diverse viewpoints at scale. We train our diffusion-based model, ODIN, on 360-1M. Empowered by the largest real-world, multi-view dataset to date, ODIN is able to freely generate novel views of real-world scenes. Unlike previous methods, ODIN can move the camera through the environment, enabling the model to infer the geometry and layout of the scene. Additionally, we show improved performance on standard novel view synthesis and 3D reconstruction benchmarks.

World models can foresee the outcomes of different actions, which is of paramount importance for autonomous driving. Nevertheless, existing driving world models still have limitations in generalization to unseen environments, prediction fidelity of critical details, and action controllability for flexible application. In this paper, we present Vista, a generalizable driving world model with high fidelity and versatile controllability. Based on a systematic diagnosis of existing methods, we introduce several key ingredients to address these limitations. To accurately predict real-world dynamics at high resolution, we propose two novel losses to promote the learning of moving instances and structural information. We also devise an effective latent replacement approach to inject historical frames as priors for coherent long-horizon rollouts. For action controllability, we incorporate a versatile set of controls from high-level intentions (command, goal point) to low-level maneuvers (trajectory, angle, and speed) through an efficient learning strategy. After large-scale training, the capabilities of Vista can seamlessly generalize to different scenarios. Extensive experiments on multiple datasets show that Vista outperforms the most advanced general-purpose video generator in over 70% of comparisons and surpasses the best-performing driving world model by 55% in FID and 27% in FVD. Moreover, for the first time, we utilize the capacity of Vista itself to establish a generalizable reward for real-world action evaluation without accessing the ground truth actions.

Diffusion models have demonstrated great success in text-to-video (T2V) generation. However, existing methods may face challenges when handling complex (long) video generation scenarios that involve multiple objects or dynamic changes in object numbers. To address these limitations, we propose VideoTetris, a novel framework that enables compositional T2V generation. Specifically, we propose spatio-temporal compositional diffusion to precisely follow complex textual semantics by manipulating and composing the attention maps of denoising networks spatially and temporally. Moreover, we propose a new dynamic-aware data processing pipeline and a consistency regularization method to enhance the consistency of auto-regressive video generation. Extensive experiments demonstrate that our VideoTetris achieves impressive qualitative and quantitative results in compositional T2V generation. Code is available at: https://github.com/YangLing0818/VideoTetris

Image diffusion distillation achieves high-fidelity generation with very few sampling steps. However, directly applying these techniques to video models results in unsatisfied frame quality. This issue arises from the limited frame appearance quality in public video datasets, affecting the performance of both teacher and student video diffusion models. Our study aims to improve video diffusion distillation and meanwhile enabling the student model to improve frame appearance using the abundant high-quality image data. To this end, we propose motion consistency models (MCM), a single-stage video diffusion distillation method that disentangles motion and appearance learning. Specifically, MCM involves a video consistency model that distills motion from the video teacher model, and an image discriminator that boosts frame appearance to match high-quality image data. However, directly combining these components leads to two significant challenges: a conflict in frame learning objectives, where video distillation learns from low-quality video frames while the image discriminator targets high-quality images, and training-inference discrepancies due to the differing quality of video samples used during training and inference. To address these challenges, we introduce disentangled motion distillation and mixed trajectory distillation. The former applies the distillation objective solely to the motion representation, while the latter mitigates training-inference discrepancies by mixing distillation trajectories from both the low- and high-quality video domains. Extensive experiments show that our MCM achieves state-of-the-art video diffusion distillation performance. Additionally, our method can enhance frame quality in video diffusion models, producing frames with high aesthetic value or specific styles.

We introduce VASA, a framework for generating lifelike talking faces with appealing visual affective skills (VAS) given a single static image and a speech audio clip. Our premiere model, VASA-1, is capable of not only generating lip movements that are exquisitely synchronized with the audio, but also producing a large spectrum of facial nuances and natural head motions that contribute to the perception of authenticity and liveliness. The core innovations include a diffusion-based holistic facial dynamics and head movement generation model that works in a face latent space, and the development of such an expressive and disentangled face latent space using videos.Through extensive experiments including evaluation on a set of new metrics, we show that our method significantly outperforms previous methods along various dimensions comprehensively. Our method delivers high video quality with realistic facial and head dynamics and also supports the online generation of 512$\times$512 videos at up to 40 FPS with negligible starting latency.It paves the way for real-time engagements with lifelike avatars that emulate human conversational behaviors.

Visual object tracking aims to locate a targeted object in a video sequence based on an initial bounding box. Recently, Vision-Language~(VL) trackers have proposed to utilize additional natural language descriptions to enhance versatility in various applications. However, VL trackers are still inferior to State-of-The-Art (SoTA) visual trackers in terms of tracking performance. We found that this inferiority primarily results from their heavy reliance on manual textual annotations, which include the frequent provision of ambiguous language descriptions. In this paper, we propose ChatTracker to leverage the wealth of world knowledge in the Multimodal Large Language Model (MLLM) to generate high-quality language descriptions and enhance tracking performance. To this end, we propose a novel reflection-based prompt optimization module to iteratively refine the ambiguous and inaccurate descriptions of the target with tracking feedback. To further utilize semantic information produced by MLLM, a simple yet effective VL tracking framework is proposed and can be easily integrated as a plug-and-play module to boost the performance of both VL and visual trackers. Experimental results show that our proposed ChatTracker achieves a performance comparable to existing methods.

Novel-view synthesis aims to generate novel views of a scene from multiple inputimages or videos, and recent advancements like 3D Gaussian splatting (3DGS)have achieved notable success in producing photorealistic renderings with efficientpipelines. However, generating high-quality novel views under challenging settings,such as sparse input views, remains difficult due to insufficient information inunder-sampled areas, often resulting in noticeable artifacts. This paper presents3DGS-Enhancer, a novel pipeline for enhancing the representation quality of3DGS representations. We leverage 2D video diffusion priors to address thechallenging 3D view consistency problem, reformulating it as achieving temporalconsistency within a video generation process. 3DGS-Enhancer restores view-consistent latent features of rendered novel views and integrates them with theinput views through a spatial-temporal decoder. The enhanced views are thenused to fine-tune the initial 3DGS model, significantly improving its renderingperformance. Extensive experiments on large-scale datasets of unbounded scenesdemonstrate that 3DGS-Enhancer yields superior reconstruction performance andhigh-fidelity rendering results compared to state-of-the-art methods. The projectwebpage is https://xiliu8006.github.io/3DGS-Enhancer-project.

Event-intensity asymmetric stereo systems have emerged as a promising approach for robust 3D perception in dynamic and challenging environments by integrating event cameras with frame-based sensors in different views. However, existing methods often suffer from overfitting and poor generalization due to limited dataset sizes and lack of scene diversity in the event domain. To address these issues, we propose a zero-shot framework that utilizes monocular depth estimation and stereo matching models pretrained on diverse image datasets. Our approach introduces a visual prompting technique to align the representations of frames and events, allowing the use of off-the-shelf stereo models without additional training. Furthermore, we introduce a monocular cue-guided disparity refinement module to improve robustness across static and dynamic regions by incorporating monocular depth information from foundation models. Extensive experiments on real-world datasets demonstrate the superior zero-shot evaluation performance and enhanced generalization ability of our method compared to existing approaches.

As the scale of data and models for video understanding rapidly expand, handling long-form video input in transformer-based models presents a practical challenge. Rather than resorting to input sampling or token dropping, which may result in information loss, token merging shows promising results when used in collaboration with transformers. However, the application of token merging for long-form video processing is not trivial. We begin with the premise that token merging should not rely solely on the similarity of video tokens; the saliency of tokens should also be considered. To address this, we explore various video token merging strategies for long-form video classification, starting with a simple extension of image token merging, moving to region-concentrated merging, and finally proposing a learnable video token merging (VTM) algorithm that dynamically merges tokens based on their saliency. Extensive experimental results show that we achieve better or comparable performances on the LVU, COIN, and Breakfast datasets. Moreover, our approach significantly reduces memory costs by 84% and boosts throughput by approximately 6.89 times compared to baseline algorithms.

Data valuation is a class of techniques for quantitatively assessing the value of data for applications like pricing in data marketplaces. Existing data valuation methods define a value for a discrete dataset. However, in many use cases, users are interested in not only the value of the dataset, but that of the distribution from which the dataset was sampled. For example, consider a buyer trying to evaluate whether to purchase data from different vendors. The buyer may observe (and compare) only a small preview sample from each vendor, to decide which vendor's data distribution is most useful to the buyer and purchase. The core question is how should we compare the values of data distributions from their samples? Under a Huber characterization of the data heterogeneity across vendors, we propose a maximum mean discrepancy (MMD)-based valuation method which enables theoretically principled and actionable policies for comparing data distributions from samples. We empirically demonstrate that our method is sample-efficient and effective in identifying valuable data distributions against several existing baselines, on multiple real-world datasets (e.g., network intrusion detection, credit card fraud detection) and downstream applications (classification, regression).

Recent research has highlighted the importance of data quality in scaling large language models (LLMs). However, automated data quality control faces unique challenges in collaborative settings where sharing is not allowed directly between data silos. To tackle this issue, this paper proposes a novel data quality control technique based on the notion of data influence on the training dynamics of LLMs, that high quality data are more likely to have similar training dynamics to the anchor dataset. We then leverage the influence of the training dynamics to select high-quality data from different private domains, with centralized model updates on the server side in a collaborative training fashion by either model merging or federated learning. As for the data quality indicator, we compute the per-sample gradients with respect to the private data and the anchor dataset, and use the trace of the accumulated inner products as a measurement of data quality. In addition, we develop a quality control evaluation tailored for collaborative settings with heterogeneous medical domain data. Experiments show that training on the high-quality data selected by our method can often outperform other data selection methods for collaborative fine-tuning of LLMs, across diverse private domain datasets, in medical, multilingual and financial settings.

Large pretrained models can be used as annotators, helping replace or augment crowdworkers and enabling distilling generalist models into smaller specialist models. Unfortunately, this comes at a cost: employing top-of-the-line models often requires paying thousands of dollars for API calls, while the resulting datasets are static and challenging to audit. To address these challenges, we propose a simple alternative: rather than directly querying labels from pretrained models, we task models to generate programs that can produce labels. These programs can be stored and applied locally, re-used and extended, and cost orders of magnitude less. Our system, $\textbf{Alchemist}$, obtains comparable to or better performance than large language model-based annotation in a range of tasks for a fraction of the cost: on average, improvements amount to a $\textbf{12.9}$% enhancement while the total labeling costs across all datasets are reduced by a factor of approximately $\textbf{500}\times$.

Data attribution methods aim to quantify the influence of individual training samples on the prediction of artificial intelligence (AI) models. As training data plays an increasingly crucial role in the modern development of large-scale AI models, data attribution has found broad applications in improving AI performance and safety. However, despite a surge of new data attribution methods being developed recently, there lacks a comprehensive library that facilitates the development, benchmarking, and deployment of different data attribution methods. In this work, we introduce $\texttt{dattri}$, an open-source data attribution library that addresses the above needs. Specifically, $\texttt{dattri}$ highlights three novel design features. Firstly, $\texttt{dattri}$ proposes a unified and easy-to-use API, allowing users to integrate different data attribution methods into their PyTorch-based machine learning pipeline with a few lines of code changed. Secondly, $\texttt{dattri}$ modularizes low-level utility functions that are commonly used in data attribution methods, such as Hessian-vector product, inverse-Hessian-vector product or random projection, making it easier for researchers to develop new data attribution methods. Thirdly, $\texttt{dattri}$ provides a comprehensive benchmark framework with pre-trained models and ground truth annotations for a variety of benchmark settings, including generative AI settings. We have implemented a variety of state-of-the-art efficient data attribution methods that can be applied to large-scale neural network models, and will continuously update the library in the future. Using the developed $\texttt{dattri}$ library, we are able to perform a comprehensive and fair benchmark analysis across a wide range of data attribution methods. The source code of $\texttt{dattri}$ is available at https://github.com/TRAIS-Lab/dattri.

Image description datasets play a crucial role in the advancement of various applications such as image understanding, text-to-image generation, and text-image retrieval. Currently, image description datasets primarily originate from two sources. One source is the scraping of image-text pairs from the web. Despite their abundance, these descriptions are often of low quality and noisy. Another way is through human labeling. Datasets such as COCO are generally very short and lack details. Although detailed image descriptions can be annotated by humans, the high cost limits their quantity and feasibility. These limitations underscore the need for more efficient and scalable methods to generate accurate and detailed image descriptions. In this paper, we propose an innovative framework termed Image Textualization, which automatically produces high-quality image descriptions by leveraging existing mult-modal large language models (MLLMs) and multiple vision expert models in a collaborative manner. We conduct various experiments to validate the high quality of the descriptions constructed by our framework. Furthermore, we show that MLLMs fine-tuned on our dataset acquire an unprecedented capability of generating richer image descriptions, substantially increasing the length and detail of their output with even less hallucinations.

Auto-labeling is an important family of techniques that produce labeled training sets with minimum manual annotation. A prominent variant, threshold-based auto-labeling (TBAL), works by finding thresholds on a model's confidence scores above which it can accurately automatically label unlabeled data. However, many models are known to produce overconfident scores, leading to poor TBAL performance. While a natural idea is to apply off-the-shelf calibration methods to alleviate the overconfidence issue, we show that such methods fall short. Rather than experimenting with ad-hoc choices of confidence functions, we propose a framework for studying the optimal TBAL confidence function. We develop a tractable version of the framework to obtain Colander (Confidence functions for Efficient and Reliable Auto-labeling), a new post-hoc method specifically designed to maximize performance in TBAL systems. We perform an extensive empirical evaluation of Colander and compare it against methods designed for calibration. Colander achieves up to 60% improvement on coverage over the baselines while maintaining error level below 5% and using the same amount of labeled data.

The state-of-the-art approximate nearest neighbor search (ANNS) algorithm builds a large proximity graph on the dataset and performs a greedy beam search, which may bring many unnecessary explorations. We develop a novel framework, namely corssing sparse proximity graph (CSPG), based on random partitioning of the dataset. It produces a smaller sparse proximity graph for each partition and routing vectors that bind all the partitions. An efficient two-staged approach is designed for exploring CSPG, with fast approaching and cross-partition expansion. We theoretically prove that CSPG can accelerate the existing graph-based ANNS algorithms by reducing unnecessary explorations. In addition, we conduct extensive experiments on benchmark datasets. The experimental results confirm that the existing graph-based methods can be significantly outperformed by incorporating CSPG, achieving 1.5x to 2x speedups of QPS in almost all recalls.

Neural ordinary differential equations (Neural ODEs) is a family of continuous-depth neural networks where the evolution of hidden states is governed by learnable temporal derivatives. We identify a significant limitation in applying traditional Batch Normalization (BN) to Neural ODEs, due to a fundamental mismatch --- BN was initially designed for discrete neural networks with no temporal dimension, whereas Neural ODEs operate continuously over time. To bridge this gap, we introduce temporal adaptive Batch Normalization (TA-BN), a novel technique that acts as the continuous-time analog to traditional BN. Our empirical findings reveal that TA-BN enables the stacking of more layers within Neural ODEs, enhancing their performance. Moreover, when confined to a model architecture consisting of a single Neural ODE followed by a linear layer, TA-BN achieves 91.1\% test accuracy on CIFAR-10 with 2.2 million parameters, making it the first \texttt{unmixed} Neural ODE architecture to approach MobileNetV2-level parameter efficiency. Extensive numerical experiments on image classification and physical system modeling substantiate the superiority of TA-BN compared to baseline methods.

In this work, we propose a training-free method to inject visual prompts into Multimodal Large Language Models (MLLMs) through learnable latent variable optimization. We observe that attention, as the core module of MLLMs, connects text prompt tokens and visual tokens, ultimately determining the final results. Our approach involves adjusting visual tokens from the MLP output during inference, controlling the attention response to ensure text prompt tokens attend to visual tokens in referring regions. We optimize a learnable latent variable based on an energy function, enhancing the strength of referring regions in the attention map. This enables detailed region description and reasoning without the need for substantial training costs or model retraining. Our method offers a promising direction for integrating referring abilities into MLLMs, and supports referring with box, mask, scribble and point. The results demonstrate that our method exhibits out-of-domain generalization and interpretability.

Domain generalisation in computational histopathology is challenging because the images are substantially affected by differences among hospitals due to factors like fixation and staining of tissue and imaging equipment. We hypothesise that focusing on nuclei can improve the out-of-domain (OOD) generalisation in cancer detection. We propose a simple approach to improve OOD generalisation for cancer detection by focusing on nuclear morphology and organisation, as these are domain-invariant features critical in cancer detection. Our approach integrates original images with nuclear segmentation masks during training, encouraging the model to prioritise nuclei and their spatial arrangement. Going beyond mere data augmentation, we introduce a regularisation technique that aligns the representations of masks and original images. We show, using multiple datasets, that our method improves OOD generalisation and also leads to increased robustness to image corruptions and adversarial attacks. The source code is available at https://github.com/undercutspiky/SFL/

\textit{Dataset condensation} is a newborn technique that generates a small dataset that can be used in training deep neural networks (DNNs) to lower storage and training costs. The objective of dataset condensation is to ensure that the model trained with the synthetic dataset can perform comparably to the model trained with full datasets. However, existing methods predominantly concentrate on classification tasks, posing challenges in their adaptation to time series forecasting (TS-forecasting). This challenge arises from disparities in the evaluation of synthetic data. In classification, the synthetic data is considered well-distilled if the model trained with the full dataset and the model trained with the synthetic dataset yield identical labels for the same input, regardless of variations in output logits distribution. Conversely, in TS-forecasting, the effectiveness of synthetic data distillation is determined by the distance between predictions of the two models. The synthetic data is deemed well-distilled only when all data points within the predictions are similar. Consequently, TS-forecasting has a more rigorous evaluation methodology compared to classification. To mitigate this gap, we theoretically analyze the optimization objective of dataset condensation for TS-forecasting and propose a new one-line plugin of dataset condensation for TS-forecasting designated as Dataset \textbf{Cond}ensation for \textbf{T}ime \textbf{S}eries \textbf{F}orecasting (CondTSF) based on our analysis. Plugging CondTSF into previous dataset condensation methods facilitates a reduction in the distance between the predictions of the model trained with the full dataset and the model trained with the synthetic dataset, thereby enhancing performance. We conduct extensive experiments on eight commonly used time series datasets. CondTSF consistently improves the performance of all previous dataset condensation methods across all datasets, particularly at low condensing ratios.

In the rapidly evolving field of deep learning, the demand for models that are both expressive and computationally efficient has never been more critical. This paper introduces Orchid, a novel architecture designed to address the quadratic complexity of traditional attention mechanisms without compromising the ability to capture long-range dependencies and in-context learning. At the core of this architecture lies a new data-dependent global convolution layer, which contextually adapts its kernel conditioned on input sequence using a dedicated conditioning neural network. We design two simple conditioning networks that maintain shift equivariance in our data-dependent convolution operation. The dynamic nature of the proposed convolution kernel grants Orchid high expressivity while maintaining quasilinear scalability for long sequences. We evaluate the proposed model across multiple domains, including language modeling and image classification, to highlight its performance and generality. Our experiments demonstrate that this architecture not only outperforms traditional attention-based architectures such as BERT and Vision Transformers with smaller model sizes, but also extends the feasible sequence length beyond the limitations of the dense attention layers. This achievement represents a significant step towards more efficient and scalable deep learning models for sequence modeling.

While the Transformer architecture has achieved remarkable success across various domains, a thorough theoretical foundation explaining its optimization dynamics is yet to be fully developed. In this study, we aim to bridge this understanding gap by answering the following two core questions: (1) Which types of Transformer architectures allow Gradient Descent (GD) to achieve guaranteed convergence? and (2) Under what initial conditions and architectural specifics does the Transformer achieve rapid convergence during training? By analyzing the loss landscape of a single Transformer layer using Softmax and Gaussian attention kernels, our work provides concrete answers to these questions. Our findings demonstrate that, with appropriate weight initialization, GD can train a Transformer model (with either kernel type) to achieve a global optimal solution, especially when the input embedding dimension is large. Nonetheless, certain scenarios highlight potential pitfalls: training a Transformer using the Softmax attention kernel may sometimes lead to suboptimal local solutions. In contrast, the Gaussian attention kernel exhibits a much favorable behavior. Our empirical study further validate the theoretical findings.

The quadratic complexity and weak length extrapolation of Transformers limits their ability to scale to long sequences, and while sub-quadratic solutions like linear attention and state space models exist, they empirically underperform Transformers in pretraining efficiency and downstream task accuracy. We introduce MEGALODON, an neural architecture for efficient sequence modeling with unlimited context length. MEGALODON inherits the architecture of MEGA (exponential moving average with gated attention), and further introduces multiple technical components to improve its capability and stability, including complex exponential moving average (CEMA), timestep normalization layer, normalized attention mechanism and pre-norm with two-hop residual configuration. In a controlled head-to-head comparison with LLAMA2, MEGALODON achieves better efficiency than Transformer in the scale of 7 billion parameters and 2 trillion training tokens. MEGALODON reaches a training loss of 1.70, landing mid-way between LLAMA2-7B (1.75) and LLAMA2-13B (1.67). This result is robust throughout a wide range of benchmarks, where MEGALODON consistently outperforms Transformers across different tasks, domains, and modalities.

The remarkable success of transformers in sequence modeling tasks, spanning various applications in natural language processing and computer vision, is attributed to the critical role of self-attention. Similar to the development of most deep learning models, the construction of these attention mechanisms relies on heuristics and experience. In our work, we derive self-attention from kernel principal component analysis (kernel PCA) and show that self-attention projects its query vectors onto the principal component axes of its key matrix in a feature space. We then formulate the exact formula for the value matrix in self-attention, theoretically and empirically demonstrating that this value matrix captures the eigenvectors of the Gram matrix of the key vectors in self-attention. Leveraging our kernel PCA framework, we propose Attention with Robust Principal Components (RPC-Attention), a novel class of robust attention that is resilient to data contamination. We empirically demonstrate the advantages of RPC-Attention over softmax attention on the ImageNet-1K object classification, WikiText-103 language modeling, and ADE20K image segmentation task.

Vision transformer model (ViT) is widely used and performs well in vision tasks due to its ability to capture long-range dependencies. However, the time complexity and memory consumption increase quadratically with the number of input patches which limits the usage of ViT in real-world applications. Previous methods have employed linear attention to mitigate the complexity of the original self-attention mechanism at the expense of effectiveness. In this paper, we propose QT-ViT models that improve the previous linear self-attention using quadratic Taylor expansion. Specifically, we substitute the softmax-based attention with second-order Taylor expansion, and then accelerate the quadratic expansion by reducing the time complexity with a fast approximation algorithm. The proposed method capitalizes on the property of quadratic expansion to achieve superior performance while employing linear approximation for fast inference. Compared to previous studies of linear attention, our approach does not necessitate knowledge distillation or high-order attention residuals to facilitate the training process. Extensive experiments demonstrate the efficiency and effectiveness of the proposed QT-ViTs, showcasing the state-of-the-art results. Particularly, the proposed QT-ViTs consistently surpass the previous SOTA EfficientViTs under different model sizes, and achieve a new Pareto-front in terms of accuracy and speed.

Mamba is an effective state space model with linear computation complexity. It has recently shown impressive efficiency in dealing with high-resolution inputs across various vision tasks. In this paper, we reveal that the powerful Mamba model shares surprising similarities with linear attention Transformer, which typically underperform conventional Transformer in practice. By exploring the similarities and disparities between the effective Mamba and subpar linear attention Transformer, we provide comprehensive analyses to demystify the key factors behind Mamba’s success. Specifically, we reformulate the selective state space model and linear attention within a unified formulation, rephrasing Mamba as a variant of linear attention Transformer with six major distinctions: input gate, forget gate, shortcut, no attention normalization, single-head, and modified block design. For each design, we meticulously analyze its pros and cons, and empirically evaluate its impact on model performance in vision tasks. Interestingly, the results highlight the forget gate and block design as the core contributors to Mamba’s success, while the other four designs are less crucial. Based on these findings, we propose a Mamba-Inspired Linear Attention (MILA) model by incorporating the merits of these two key designs into linear attention. The resulting model outperforms various vision Mamba models in both image classification and high-resolution dense prediction tasks, while enjoying parallelizable computation and fast inference speed. Code is available at https://github.com/LeapLabTHU/MLLA.

Anchoring is a recent, architecture-agnostic principle for training deep neural networks that has been shown to significantly improve uncertainty estimation, calibration, and extrapolation capabilities. In this paper, we systematically explore anchoring as a general protocol for training vision models, providing fundamental insights into its training and inference processes and their implications for generalization and safety. Despite its promise, we identify a critical problem in anchored training that can lead to an increased risk of learning undesirable shortcuts, thereby limiting its generalization capabilities. To address this, we introduce a new anchored training protocol that employs a simple regularizer to mitigate this issue and significantly enhances generalization. We empirically evaluate our proposed approach across datasets and architectures of varying scales and complexities, demonstrating substantial performance gains in generalization and safety metrics compared to the standard training protocol. The open-source code is available at https://software.llnl.gov/anchoring.

Large-scale foundation models have demonstrated exceptional performance in language and vision tasks. However, the numerous dense matrix-vector operations involved in these large networks pose significant computational challenges during inference. To address these challenges, we introduce the Block-Level Adaptive STructured (BLAST) matrix, designed to learn and leverage efficient structures prevalent in the weight matrices of linear layers within deep learning models. Compared to existing structured matrices, the BLAST matrix offers substantial flexibility, as it can represent various types of structures that are either learned from data or computed from pre-existing weight matrices. We demonstrate the efficiency of using the BLAST matrix for compressing both language and vision tasks, showing that (i) for medium-sized models such as ViT and GPT-2, training with BLAST weights boosts performance while reducing complexity by 70\% and 40\%, respectively; and (ii) for large foundation models such as Llama-7B and DiT-XL, the BLAST matrix achieves a 2x compression while exhibiting the lowest performance degradation among all tested structured matrices. Our code is available at https://github.com/changwoolee/BLAST.

Tensor Train~(TT) decomposition is widely used in the machine learning and quantum physics communities as a popular tool to efficiently compress high-dimensional tensor data. In this paper, we propose an efficient algorithm to accelerate computing the TT decomposition with the Alternating Least Squares (ALS) algorithm relying on exact leverage scores sampling. For this purpose, we propose a data structure that allows us to efficiently sample from the tensor with time complexity logarithmic in the product of the tensor dimensions. Our contribution specifically leverages the canonical form of the TT decomposition. By maintaining the canonical form through each iteration of ALS, we can efficiently compute (and sample from) the leverage scores, thus achieving significant speed-up in solving each sketched least-square problem. Experiments on synthetic and real data on dense and sparse tensors demonstrate that our method outperforms SVD-based and ALS-based algorithms.

Per-example gradient norms are a vital ingredient for estimating gradient noise scale (GNS) with minimal variance. Observing the tensor contractions required to compute them, we propose a method with minimal FLOPs in 3D or greater tensor regimes by simultaneously computing the norms while computing the parameter gradients. Using this method we are able to observe the GNS of different layers at higher accuracy than previously possible. We find that the total GNS of contemporary transformer models is predicted well by the GNS of only the normalization layers. As a result, focusing only on the normalization layer, we develop a custom kernel to compute the per-example gradient norms while performing the LayerNorm backward pass with zero throughput overhead. Tracking GNS on only those layers, we are able to guide a practical batch size schedule that reduces training time by 18% on a Chinchilla-optimal language model.

Real-world image denoising remains a challenge task. This paper studies self-supervised image denoising, requiring only noisy images captured in a single shot. We revamping the blind-spot technique by leveraging the transformer’s capability for long-range pixel interactions, which is crucial for effectively removing noise dependence in relating pixel–a requirement for achieving great performance for the blind-spot technique. The proposed method integrates these elements with two key innovations: a directional self-attention (DSA) module using a half-plane grid for self-attention, creating a sophisticated blind-spot structure, and a Siamese architecture with mutual learning to mitigate the performance impactsfrom the restricted attention grid in DSA. Experiments on benchmark datasets demonstrate that our method outperforms existing self-supervised and clean-image-free methods. This combination of blind-spot and transformer techniques provides a natural synergy for tackling real-world image denoising challenges.

Large language models (LLMs) have garnered significant attention for their remarkable capabilities across various domains, whose vast parameter scales present challenges for practical deployment. Structured pruning is an effective method to balance model performance with efficiency, but performance restoration under computational resource constraints is a principal challenge in pruning LLMs. Therefore, we present a low-cost and fast structured pruning method for LLMs named SlimGPT based on the Optimal Brain Surgeon framework. We propose Batched Greedy Pruning for rapid and near-optimal pruning, which enhances the accuracy of head-wise pruning error estimation through grouped Cholesky decomposition and improves the pruning efficiency of FFN via Dynamic Group Size, thereby achieving approximate local optimal pruning results within one hour. Besides, we explore the limitations of layer-wise pruning from the perspective of error accumulation and propose Incremental Pruning Ratio, a non-uniform pruning strategy to reduce performance degradation. Experimental results on the LLaMA benchmark show that SlimGPT outperforms other methods and achieves state-of-the-art results.

Transformers, renowned for their self-attention mechanism, have achieved state-of-the-art performance across various tasks in natural language processing, computer vision, time-series modeling, etc. However, one of the challenges with deep Transformer models is the oversmoothing problem, where representations across layers converge to indistinguishable values, leading to significant performance degradation. We interpret the original self-attention as a simple graph filter and redesign it from a graph signal processing (GSP) perspective. We propose a graph-filter-based self-attention (GFSA) to learn a general yet effective one, whose complexity, however, is slightly larger than that of the original self-attention mechanism. We demonstrate that GFSA improves the performance of Transformers in various fields, including computer vision, natural language processing, graph-level tasks, speech recognition, and code classification.

The development of generative language models that can create long and coherent textual outputs via autoregression has lead to a proliferation of uses and a corresponding sweep of analyses as researches work to determine the limitations of this new paradigm. Unlike humans, these 'Large Language Models' (LLMs) are highly sensitive to small changes in their inputs, leading to unwanted inconsistency in their behavior. One problematic inconsistency when LLMs are used to answer multiple-choice questions or analyze multiple inputs is order dependency: the output of an LLM can (and often does) change significantly when sub-sequences are swapped, despite both orderings being semantically identical. In this paper we present , a technique that guarantees the output of an LLM will not have order dependence on a specified set of sub-sequences. We show that this method provably eliminates order dependency, and that it can be applied to any transformer-based LLM to enable text generation that is unaffected by re-orderings. Delving into the implications of our method, we show that, despite our inputs being out of distribution, the impact on expected accuracy is small, where the expectation is over the order of uniformly chosen shuffling of the candidate responses, and usually significantly less in practice. Thus, can be used as a 'dropped-in' method on fully trained models. Finally, we discuss how our method's success suggests that other strong guarantees can be obtained on LLM performance via modifying the input representations.Code is available at github.com/reidmcy/set-based-prompting.

Neural image compression has made a great deal of progress. State-of-the-art models are based on variational autoencoders and are outperforming classical models. Neural compression models learn to encode an image into a quantized latent representation that can be efficiently sent to the decoder, which decodes the quantized latent into a reconstructed image. While these models have proven successful in practice, they lead to sub-optimal results due to imperfect optimization and limitations in the encoder and decoder capacity. Recent work shows how to use stochastic Gumbel annealing (SGA) to refine the latents of pre-trained neural image compression models. We extend this idea by introducing SGA+, which contains three different methods that build upon SGA.We show how our method improves the overall compression performance in terms of the R-D trade-off, compared to its predecessors. Additionally, we show how refinement of the latents with our best-performing method improves the compression performance on both the Tecnick and CLIC dataset. Our method is deployed for a pre-trained hyperprior and for a more flexible model.Further, we give a detailed analysis of our proposed methods and show that they are less sensitive to hyperparameter choices. Finally, we show how each method can be extended to three- instead of two-class rounding.

Cross-domain few-shot learning (CDFSL) is proposed to transfer knowledge from large-scale source-domain datasets to downstream target-domain datasets with only a few training samples. However, Vision Transformer (ViT), as a strong backbone network to achieve many top performances, is still under-explored in the CDFSL task in its transferability against large domain gaps. In this paper, we find an interesting phenomenon of ViT in the CDFSL task: by simply multiplying a temperature (even as small as 0) to the attention in ViT blocks, the target-domain performance consistently increases, even though the attention map is downgraded to a uniform map. In this paper, we delve into this phenomenon for an interpretation. Through experiments, we interpret this phenomenon as a remedy for the ineffective target-domain attention caused by the query-key attention mechanism under large domain gaps. Based on it, we further propose a simple but effective method for the CDFSL task to boost ViT's transferability by resisting the learning of query-key parameters and encouraging that of non-query-key ones. Experiments on four CDFSL datasets validate the rationale of our interpretation and method, showing we can consistently outperform state-of-the-art methods. Our codes are available at https://github.com/Zoilsen/AttnTempCDFSL.

Phenotype imputation plays a crucial role in improving comprehensive and accurate medical evaluation, which in turn can optimize patient treatment and bolster the reliability of clinical research. Despite the adoption of various techniques, multi-modal biological data, which can provide crucial insights into a patient's overall health, is often overlooked. With multi-modal biological data, patient characterization can be enriched from two distinct views: the biological view and the phenotype view. However, the heterogeneity and imprecise nature of the multimodal data still pose challenges in developing an effective method to model from two views. In this paper, we propose a novel framework to incorporate multi-modal biological data via view decoupling. Specifically, we segregate the modeling of biological data from phenotype data in a graph-based learning framework. From the biological view, the latent factors in biological data are discovered to model patient correlation. From the phenotype view, phenotype co-occurrence can be modeled to reveal patterns across patients. Then patients are encoded from these two distinct views. To mitigate the influence of noise and irrelevant information in biological data, we devise a cross-view contrastive knowledge distillation aimed at distilling insights from the biological view to enhance phenotype imputation. We show that phenotype imputation with the proposed model significantly outperforms the state-of-the-art models on the real-world biomedical database.

Implicit representation has opened up new possibilities for inverse rendering. However, existing implicit neural inverse rendering methods struggle to handle strongly illuminated scenes with significant shadows and slight reflections. The existence of shadows and reflections can lead to an inaccurate understanding of the scene, making precise factorization difficult. To this end, we present RobIR, an implicit inverse rendering approach that uses ACES tone mapping and regularized visibility estimation to reconstruct accurate BRDF of the object. By accurately modeling the indirect radiance field, normal, visibility, and direct light simultaneously, we are able to accurately decouple environment lighting and the object's PBR materials without imposing strict constraints on the scene. Even in high-illumination scenes with shadows and specular reflections, our method can recover high-quality albedo and roughness with no shadow interference. RobIR outperforms existing methods in both quantitative and qualitative evaluations.

Developing meaningful and efficient representations that separate the fundamental structure of the data generation mechanism is crucial in representation learning. However, Disentangled Representation Learning has not fully shown its potential on real images, because of correlated generative factors, their resolution and limited access to ground truth labels. Specifically on the latter, we investigate the possibility of leveraging synthetic data to learn general-purpose disentangled representations applicable to real data, discussing the effect of fine-tuning and what properties of disentanglement are preserved after the transfer. We provide an extensive empirical study to address these issues. In addition, we propose a new interpretable intervention-based metric, to measure the quality of factors encoding in the representation. Our results indicate that some level of disentanglement, transferring a representation from synthetic to real data, is possible and effective.

This work presents BAdam, an optimization method that leverages the block coordinate descent (BCD) framework with Adam's update rule. BAdam offers a memory efficient approach to the full parameter finetuning of large language models. We conduct a theoretical convergence analysis for BAdam in the deterministic case. Experimentally, we apply BAdam to finetune the Llama 3-8B and Llama 3-70B models using a single RTX3090-24GB GPU and 4 A100-80GB GPUs, respectively. The results confirm BAdam's efficiency in terms of memory usage, running time, and optimization capability. Furthermore, the downstream performance evaluation based on MT-bench and math benchmarks shows that BAdam outperforms existing memory efficient baselines such as LoRA. It also demonstrates that BAdam can achieve comparable or even superior performance compared to Adam. Finally, the ablation study using SGD's update rule illustrates the suitability of BCD for finetuning LLMs. Our code can be easily integrated into any PyTorch-based codebase and is available at https://github.com/Ledzy/BAdam.

InfoNCE loss is commonly used to train dense retriever in information retrieval tasks. It is well known that a large batch is essential to stable and effective training with InfoNCE loss, which requires significant hardware resources. Due to the dependency of large batch, dense retriever has bottleneck of application and research. Recently, memory reduction methods have been broadly adopted to resolve the hardware bottleneck by decomposing forward and backward or using a memory bank. However, current methods still suffer from slow and unstable train. To address these issues, we propose Contrastive Accumulation (ContAccum), a stable and efficient memory reduction method for dense retriever trains that uses a dual memory bank structure to leverage previously generated query and passage representations. Experiments on widely used five information retrieval datasets indicate that ContAccum can surpass not only existing memory reduction methods but also high-resource scenarios. Moreover, theoretical analysis and experimental results confirm that ContAccum provides more stable dual-encoder training than current memory bank utilization methods.

Agda is a dependently-typed programming language and a proof assistant, pivotal in proof formalization and programming language theory.This paper extends the Agda ecosystem into machine learning territory, and, vice versa, makes Agda-related resources available to machine learning practitioners.We introduce and release a novel dataset of Agda program-proofs that is elaborate and extensive enough to support various machine learning applications -- the first of its kind.Leveraging the dataset's ultra-high resolution, which details proof states at the sub-type level, we propose a novel neural architecture targeted at faithfully representing dependently-typed programs on the basis of structural rather than nominal principles.We instantiate and evaluate our architecture in a premise selection setup, where it achieves promising initial results, surpassing strong baselines.

Real-world geometry and 3D vision tasks are replete with challenging symmetries that defy tractable analytical expression. In this paper, we introduce Neural Isometries, an autoencoder framework which learns to map the observation space to a general-purpose latent space wherein encodings are related by isometries whenever their corresponding observations are geometrically related in world space. Specifically, we regularize the latent space such that maps between encodings preserve a learned inner product and commute with a learned functional operator, in the same manner as rigid-body transformations commute with the Laplacian. This approach forms an effective backbone for self-supervised representation learning, and we demonstrate that a simple off-the-shelf equivariant network operating in the pre-trained latent space can achieve results on par with meticulously-engineered, handcrafted networks designed to handle complex, nonlinear symmetries. Furthermore, isometric maps capture information about the respective transformations in world space, and we show that this allows us to regress camera poses directly from the coefficients of the maps between encodings of adjacent views of a scene.

Tabular data is widely utilized in a wide range of real-world applications. The challenge of few-shot learning with tabular data stands as a crucial problem in both industry and academia, due to the high cost or even impossibility of annotating additional samples. However, the inherent heterogeneity of tabular features, combined with the scarcity of labeled data, presents a significant challenge in tabular few-shot classification. In this paper, we propose a novel approach named Diffusion-based Representation with Random Distance matching (D2R2) for tabular few-shot learning. D2R2 leverages the powerful expression ability of diffusion models to extract essential semantic knowledge crucial for denoising process. This semantic knowledge proves beneficial in few-shot downstream tasks. During the training process of our designed diffusion model, we introduce a random distance matching to preserve distance information in the embeddings, thereby improving effectiveness for classification. During the classification stage, we introduce an instance-wise iterative prototype scheme to improve performance by accommodating the multimodality of embeddings and increasing clustering robustness. Our experiments reveal the significant efficacy of D2R2 across various tabular few-shot learning benchmarks, demonstrating its state-of-the-art performance in this field.

Image feature extractors are rendered substantially more useful if different views of the same 3D location yield similar features while still being distinct from other locations. A feature extractor that achieves this goal even under significant viewpoint changes must recognise not just semantic categories in a scene, but also understand how different objects relate to each other in three dimensions. Existing work addresses this task by posing it as a patch retrieval problem, training the extracted features to facilitate retrieval of all image patches that project from the same 3D location. However, this approach uses a loss formulation that requires substantial memory and computation resources, limiting its applicability for large-scale training. We present a method for memory-efficient learning of location-consistent features that reformulates and approximates the smooth average precision objective. This novel loss function enables improvements in memory efficiency by three orders of magnitude, mitigating a key bottleneck of previous methods and allowing much larger models to be trained with the same computational resources. We showcase the improved location consistency of our trained feature extractor directly on a multi-view consistency task, as well as the downstream task of scene-stable panoptic segmentation, significantly outperforming previous state-of-the-art.

Unsupervised representation learning has significantly advanced various machine learning tasks. In the computer vision domain, state-of-the-art approaches utilize transformations like random crop and color jitter to achieve invariant representations, embedding semantically the same inputs despite transformations. However, this can degrade performance in tasks requiring precise features, such as localization or flower classification. To address this, recent research incorporates equivariant representation learning, which captures transformation-sensitive information. However, current methods depend on transformation labels and thus struggle with interdependency and complex transformations. We propose Self-supervised Transformation Learning (STL), replacing transformation labels with transformation representations derived from image pairs. The proposed method ensures transformation representation is image-invariant and learns corresponding equivariant transformations, enhancing performance without increased batch complexity. We demonstrate the approach’s effectiveness across diverse classification and detection tasks, outperforming existing methods in 7 out of 11 benchmarks and excelling in detection. By integrating complex transformations like AugMix, unusable by prior equivariant methods, this approach enhances performance across tasks, underscoring its adaptability and resilience. Additionally, its compatibility with various base models highlights its flexibility and broad applicability. The code is available at https://github.com/jaemyung-u/stl.

Self-Supervised learning (SSL) with Joint-Embedding Architectures (JEA) has led to outstanding performances. All instantiations of this paradigm were trained using strong and well-established hand-crafted data augmentations, leading to the general belief that they are required for the proper training and performance of such models. On the other hand, generative reconstruction-based models such as BEIT and MAE or Joint-Embedding Predictive Architectures such as I-JEPA have shown strong performance without using data augmentations except masking. In this work, we challenge the importance of invariance and data-augmentation in JEAs at scale. By running a case-study on a recent SSL foundation model -- DINOv2 -- we show that strong image representations can be obtained with JEAs and only cropping without resizing provided the training data is large enough, reaching state-of-the-art results and using the least amount of augmentation in the literature. Through this study, we also discuss the impact of compute constraints on the outcomes of experimental deep learning research, showing that they can lead to very different conclusions.

We present knowledge continuity, a novel definition inspired by Lipschitz continuity which aims to certify the robustness of neural networks across input domains (such as continuous and discrete domains in vision and language, respectively). Most existing approaches that seek to certify robustness, especially Lipschitz continuity, lie within the continuous domain with norm and distribution-dependent guarantees. In contrast, our proposed definition yields certification guarantees that depend only on the loss function and the intermediate learned metric spaces of the neural network. These bounds are independent of domain modality, norms, and distribution. We further demonstrate that the expressiveness of a model class is not at odds with its knowledge continuity. This implies that achieving robustness by maximizing knowledge continuity should not theoretically hinder inferential performance. Finally, to complement our theoretical results, we present several applications of knowledge continuity such as regularization, a certification algorithm, and show that knowledge continuity can be used to localize vulnerable components of a neural network.

The adversarial robustness of Graph Neural Networks (GNNs) has been questioned due to the false sense of security uncovered by strong adaptive attacks despite the existence of numerous defenses.In this work, we delve into the robustness analysis of representative robust GNNs and provide a unified robust estimation point of view tounderstand their robustness and limitations.Our novel analysis of estimation bias motivates the design of a robust and unbiased graph signal estimator. We then develop an efficient Quasi-Newton Iterative Reweighted Least Squares algorithm to solve the estimation problem, which is unfolded as robust unbiased aggregation layers in GNNs with theoretical guarantees.Our comprehensive experiments confirm the strong robustness of our proposed model under various scenarios, and the ablation study provides a deep understanding of its advantages.

Estimating the out-of-distribution performance in regimes where labels are scarce is critical to safely deploy foundation models. Recently, it was shown that ensembles of neural networks observe the phenomena "agreement-on-the-line", which can be leveraged to reliably predict OOD performance without labels. However, in contrast to classical neural networks that are trained on in-distribution data from scratch for numerous epochs, foundation models undergo minimal finetuning from heavily pretrained weights, which may reduce the ensemble diversity needed to observe agreement-on-the-line. In our work, we demonstrate that when lightly finetuning multiple runs from a $\textit{single}$ foundation model, the choice of randomness during training (linear head initialization, data ordering, and data subsetting) can lead to drastically different levels of agreement-on-the-line in the resulting ensemble. Surprisingly, only random head initialization is able to reliably induce agreement-on-the-line in finetuned foundation models across vision and language benchmarks. Second, we demonstrate that ensembles of $\textit{multiple}$ foundation models pretrained on different datasets but finetuned on the same task can also show agreement-on-the-line. In total, by careful construction of a diverse ensemble, we can utilize agreement-on-the-line-based methods to predict the OOD performance of foundation models with high precision.

Diffusion-based purification has demonstrated impressive robustness as an adversarial defense. However, concerns exist about whether this robustness arises from insufficient evaluation. Our research shows that EOT-based attacks face gradient dilemmas due to global gradient averaging, resulting in ineffective evaluations. Additionally, 1-evaluation underestimates resubmit risks in stochastic defenses. To address these issues, we propose an effective and efficient attack named DiffHammer. This method bypasses the gradient dilemma through selective attacks on vulnerable purifications, incorporating $N$-evaluation into loops and using gradient grafting for comprehensive and efficient evaluations. Our experiments validate that DiffHammer achieves effective results within 10-30 iterations, outperforming other methods. This calls into question the reliability of diffusion-based purification after mitigating the gradient dilemma and scrutinizing its resubmit risk.

We propose RABBit, a Branch-and-Bound-based verifier for verifying relational properties defined over Deep Neural Networks, such as robustness against universal adversarial perturbations (UAP). Existing SOTA complete $L_{\infty}$-robustness verifiers can not reason about dependencies between multiple executions and, as a result, are imprecise for relational verification. In contrast, existing SOTA relational verifiers only apply a single bounding step and do not utilize any branching strategies to refine the obtained bounds, thus producing imprecise results. We develop the first scalable Branch-and-Bound-based relational verifier, RABBit, which efficiently combines branching over multiple executions with cross-executional bound refinement to utilize relational constraints, gaining substantial precision over SOTA baselines on a wide range of datasets and networks. Our code is at https://github.com/uiuc-focal-lab/RABBit.

When applying reinforcement learning from human feedback (RLHF), the reward is learned from data and, therefore, always has some error. It is common to mitigate this by regularizing the policy with KL divergence from a base model, with the hope that balancing reward with regularization will achieve desirable outcomes despite this reward misspecification. We show that when the reward function has light-tailed error, optimal policies under less restrictive KL penalties achieve arbitrarily high utility. However, if error is heavy-tailed, some policies obtain arbitrarily high reward despite achieving no more utility than the base model--a phenomenon we call catastrophic Goodhart. We adapt a discrete optimization method to measure the tails of reward models, finding that they are consistent with light-tailed error. However, the pervasiveness of heavy-tailed distributions in many real-world applications indicates that future sources of RL reward could have heavy-tailed error, increasing the likelihood of reward hacking even with KL regularization.

Most real-world datasets consist of a natural hierarchy between classes or an inherent label structure that is either already available or can be constructed cheaply. However, most existing representation learning methods ignore this hierarchy, treating labels as permutation invariant. Recent work [Zeng et al., 2022] proposes using this structured information explicitly, but the use of Euclidean distance may distort the underlying semantic context [Chen et al., 2013]. In this work, motivated by the advantage of hyperbolic spaces in modeling hierarchical relationships, we propose a novel approach HypStructure: a Hyperbolic Structured regularization approach to accurately embed the label hierarchy into the learned representations. HypStructure is a simple-yet-effective regularizer that consists of a hyperbolic tree-based representation loss along with a centering loss, and can be combined with any standard task loss to learn hierarchy-informed features. Extensive experiments on several large-scale vision benchmarks demonstrate the efficacy of HypStructure in reducing distortion and boosting generalization performance especially under low dimensional scenarios. For a better understanding of structured representation, we perform eigenvalue analysis that links the representation geometry to improved Out-of-Distribution (OOD) detection performance seen empirically.

Equivariant neural networks have been widely used in a variety of applications due to their ability to generalize well in tasks where the underlying data symmetries are known. Despite their successes, such networks can be difficult to optimize and require careful hyperparameter tuning to train successfully. In this work, we propose a novel framework for improving the optimization of such models by relaxing the hard equivariance constraint during training: We relax the equivariance constraint of the network's intermediate layers by introducing an additional non-equivariant term that we progressively constrain until we arrive at an equivariant solution. By controlling the magnitude of the activation of the additional relaxation term, we allow the model to optimize over a larger hypothesis space containing approximate equivariant networks and converge back to an equivariant solution at the end of training. We provide experimental results on different state-of-the-art network architectures, demonstrating how this training framework can result in equivariant models with improved generalization performance. Our code is available at https://github.com/StefanosPert/EquivariantOptimizationCR

Modeling multivariate time series is a well-established problem with a wide range of applications from healthcare to financial markets. It, however, is challenging as it requires methods to (1) have high expressive power of representing complicated dependencies along the time axis to capture both long-term progression and seasonal patterns, (2) capture the inter-variate dependencies when it is informative, (3) dynamically model the dependencies of variate and time dimensions, and (4) have efficient training and inference for very long sequences. Traditional State Space Models (SSMs) are classical approaches for univariate time series modeling due to their simplicity and expressive power to represent linear dependencies. They, however, have fundamentally limited expressive power to capture non-linear dependencies, are slow in practice, and fail to model the inter-variate information flow. Despite recent attempts to improve the expressive power of SSMs by using deep structured SSMs, the existing methods are either limited to univariate time series, fail to model complex patterns (e.g., seasonal patterns), fail to dynamically model the dependencies of variate and time dimensions, and/or are input-independent. We present Chimera, an expressive variation of the 2-dimensional SSMs with careful design of parameters to maintain high expressive power while keeping the training complexity linear. Using two SSM heads with different discretization processes and input-dependent parameters, Chimera is provably able to learn long-term progression, seasonal patterns, and desirable dynamic autoregressive processes. To improve the efficiency of complex 2D recurrence, we present a fast training using a new 2-dimensional parallel selective scan. Our experimental evaluation shows the superior performance of Chimera on extensive and diverse benchmarks, including ECG and speech time series classification, long-term and short-term time series forecasting, and time series anomaly detection.

Recent researches have proven that pre-training on large-scale person images extracted from internet videos is an effective way in learning better representations for person re-identification. However, these researches are mostly confined to pre-training at the instance-level or single-video tracklet-level. They ignore the identity-invariance in images of the same person across different videos, which is a key focus in person re-identification. To address this issue, we propose a Cross-video Identity-cOrrelating pre-traiNing (CION) framework. Defining a noise concept that comprehensively considers both intra-identity consistency and inter-identity discrimination, CION seeks the identity correlation from cross-video images by modeling it as a progressive multi-level denoising problem. Furthermore, an identity-guided self-distillation loss is proposed to implement better large-scale pre-training by mining the identity-invariance within person images. We conduct extensive experiments to verify the superiority of our CION in terms of efficiency and performance. CION achieves significantly leading performance with even fewer training samples. For example, compared with the previous state-of-the-art ISR, CION with the same ResNet50-IBN achieves higher mAP of 93.3% and 74.3% on Market1501 and MSMT17, while only utilizing 8% training samples. Finally, with CION demonstrating superior model-agnostic ability, we contribute a model zoo named ReIDZoo to meet diverse research and application needs in this field. It contains a series of CION pre-trained models with spanning structures and parameters, totaling 32 models with 10 different structures, including GhostNet, ConvNext, RepViT, FastViT and so on. The code and models will be open-sourced.

At the core of self-supervised learning for vision is the idea of learning invariant or equivariant representations with respect to a set of data transformations. This approach, however, introduces strong inductive biases, which can render the representations fragile in downstream tasks that do not conform to these symmetries. In this work, drawing insights from world models, we propose to instead learn a general representation that can adapt to be invariant or equivariant to different transformations by paying attention to context --- a memory module that tracks task-specific states, actions and future states. Here, the action is the transformation, while the current and future states respectively represent the input's representation before and after the transformation. Our proposed algorithm, Contextual Self Supervised Learning (ContextSSL), learns equivariance to all transformations (as opposed to invariance). In this way, the model can learn to encode all relevant features as general representations while having the versatility to tail down to task-wise symmetries when given a few examples as the context. Empirically, we demonstrate significant performance gains over existing methods on equivariance-related tasks, supported by both qualitative and quantitative evaluations.

Two competing paradigms exist for self-supervised learning of data representations. Joint Embedding Predictive Architectures (JEPAs) is a class of architectures in which semantically similar inputs are encoded into representations that are predictive of each other. A recent successful approach that falls under the JEPA framework is self-distillation, where an online encoder is trained to predict the output of the target encoder, sometimes with a lightweight predictor network. This is contrasted with the Masked Auto Encoder (MAE) paradigm, where an encoder and decoder are trained to reconstruct missing parts of the input in ambient space rather than its latent representation. A common motivation for using the JEPA approach over MAE is that the JEPA objective prioritizes abstract features over fine-grained pixel information (which can be unpredictable and uninformative). In this work, we seek to understand the mechanism behind this empirical observation by analyzing deep linear models. We uncover a surprising mechanism: in a simplified linear setting where both approaches learn similar representations, JEPAs are biased to learn high influence features, or features characterized by having high regression coefficients. Our results point to a distinct implicit bias of predicting in latent space that may shed light on its success in practice.

Despite the success of contrastive learning (CL) in vision and language, its theoretical foundations and mechanisms for building representations remain poorly understood. In this work, we build connections between noise contrastive estimation losses widely used in CL and distribution alignment with entropic optimal transport (OT). This connection allows us to develop a family of different losses and multistep iterative variants for existing CL methods. Intuitively, by using more information from the distribution of latents, our approach allows a more distribution-aware manipulation of the relationships within augmented sample sets.We provide theoretical insights and experimental evidence demonstrating the benefits of our approach for generalized contrastive alignment. Through this framework, it is possible to leverage tools in OT to build unbalanced losses to handle noisy views and customize the representation space by changing the constraints on alignment.By reframing contrastive learning as an alignment problem and leveraging existing optimization tools for OT, our work provides new insights and connections between different self-supervised learning models in addition to new tools that can be more easily adapted to incorporate domain knowledge into learning.

This paper introduces a novel theoretical framework for the analysis of vector-valued neural networks through the development of vector-valued variation spaces, a new class of reproducing kernel Banach spaces. These spaces emerge from studying the regularization effect of weight decay in training networks with activation functions like the rectified linear unit (ReLU). This framework offers a deeper understanding of multi-output networks and their function-space characteristics. A key contribution of this work is the development of a representer theorem for the vector-valued variation spaces. This representer theorem establishes that shallow vector-valued neural networks are the solutions to data-fitting problems over these infinite-dimensional spaces, where the network widths are bounded by the square of the number of training data. This observation reveals that the norm associated with these vector-valued variation spaces encourages the learning of features that are useful for multiple tasks, shedding new light on multi-task learning with neural networks. Finally, this paper develops a connection between weight-decay regularization and the multi-task lasso problem. This connection leads to novel bounds for layer widths in deep networks that depend on the intrinsic dimensions of the training data representations. This insight not only deepens the understanding of the deep network architectural requirements, but also yields a simple convex optimization method for deep neural network compression. The performance of this compression procedure is evaluated on various architectures.

Current approximate posteriors in Bayesian neural networks (BNNs) exhibit a crucial limitation: they fail to maintain invariance under reparameterization, i.e. BNNs assign different posterior densities to different parametrizations of identical functions. This creates a fundamental flaw in the application of Bayesian principles as it breaks the correspondence between uncertainty over the parameters with uncertainty over the parametrized function. In this paper, we investigate this issue in the context of the increasingly popular linearized Laplace approximation. Specifically, it has been observed that linearized predictives alleviate the common underfitting problems of the Laplace approximation. We develop a new geometric view of reparametrizations from which we explain the success of linearization. Moreover, we demonstrate that these reparameterization invariance properties can be extended to the original neural network predictive using a Riemannian diffusion process giving a straightforward algorithm for approximate posterior sampling, which empirically improves posterior fit.

Large language models (LLMs) with billions of parameters excel at predicting the next token in a sequence. Recent work computes non-vacuous compression-based generalization bounds for LLMs, but these bounds are vacuous for large models at the billion-parameter scale. Moreover, these bounds are obtained through restrictive compression techniques, bounding compressed models that generate low-quality text. Additionally, the tightness of these existing bounds depends on the number of IID documents in a training set rather than the much larger number of non-IID constituent tokens, leaving untapped potential for tighter bounds. In this work, we instead use properties of martingales to derive generalization bounds that benefit from the vast number of tokens in LLM training sets. Since a dataset contains far more tokens than documents, our generalization bounds not only tolerate but actually benefit from far less restrictive compression schemes. With Monarch matrices, Kronecker factorizations, and post-training quantization, we achieve non-vacuous generalization bounds for LLMs as large as LLaMA2-70B. Unlike previous approaches, our work achieves the first non-vacuous bounds for models that are deployed in practice and generate high-quality text.

Transformer architectures have been widely adopted in foundation models. Due to their high inference costs, there is renewed interest in exploring the potential of efficient recurrent architectures (RNNs). In this paper, we analyze the differences in the representational capabilities of Transformers and RNNs across several tasks of practical relevance, including index lookup, nearest neighbor, recognizing bounded Dyck languages, and string equality. For the tasks considered, our results show separations based on the size of the model required for different architectures. For example, we show that a one-layer Transformer of logarithmic width can perform index lookup, whereas an RNN requires a hidden state of linear size. Conversely, while constant-size RNNs can recognize bounded Dyck languages, we show that one-layer Transformers require a linear size for this task. Furthermore, we show that two-layer Transformers of logarithmic size can perform decision tasks such as string equality or disjointness, whereas both one-layer Transformers and recurrent models require linear size for these tasks. We also show that a log-size two-layer Transformer can implement the nearest neighbor algorithm in its forward pass; on the other hand recurrent models require linear size. Our constructions are based on the existence of $N$ nearly orthogonal vectors in $O(\log N)$ dimensional space and our lower bounds are based on reductions from communication complexity problems. We supplement our theoretical results with experiments that highlight the differences in the performance of these architectures on practical-size sequences.

We study the generalization of two-layer ReLU neural networks in a univariate nonparametric regression problem with noisy labels. This is a problem where kernels (\emph{e.g.} NTK) are provably sub-optimal and benign overfitting does not happen, thus disqualifying existing theory for interpolating (0-loss, global optimal) solutions. We present a new theory of generalization for local minima that gradient descent with a constant learning rate can \emph{stably} converge to. We show that gradient descent with a fixed learning rate $\eta$ can only find local minima that represent smooth functions with a certain weighted \emph{first order total variation} bounded by $1/\eta - 1/2 + \widetilde{O}(\sigma + \sqrt{\mathrm{MSE}})$ where $\sigma$ is the label noise level, $\mathrm{MSE}$ is short for mean squared error against the ground truth, and $\widetilde{O}(\cdot)$ hides a logarithmic factor. Under mild assumptions, we also prove a nearly-optimal MSE bound of $\widetilde{O}(n^{-4/5})$ within the strict interior of the support of the $n$ data points. Our theoretical results are validated by extensive simulation that demonstrates large learning rate training induces sparse linear spline fits. To the best of our knowledge, we are the first to obtain generalization bound via minima stability in the non-interpolation case and the first to show ReLU NNs without regularization can achieve near-optimal rates in nonparametric regression.

Matrix factorization models have been extensively studied as a valuable test-bed for understanding the implicit biases of overparameterized models. Although both low nuclear norm and low rank regularization have been studied for these models, a unified understanding of when, how, and why they achieve different implicit regularization effects remains elusive. In this work, we systematically investigate the implicit regularization of matrix factorization for solving matrix completion problems. We empirically discover that the connectivity of observed data plays a key role in the implicit bias, with a transition from low nuclear norm to low rank as data shifts from disconnected to connected with increased observations. We identify a hierarchy of intrinsic invariant manifolds in the loss landscape that guide the training trajectory to evolve from low-rank to higher-rank solutions. Based on this finding, we theoretically characterize the training trajectory as following the hierarchical invariant manifold traversal process, generalizing the characterization of Li et al.(2020) to include the disconnected case. Furthermore, we establish conditions that guarantee minimum nuclear norm, closely aligning with our experimental findings, and we provide a dynamics characterization condition for ensuring minimum rank. Our work reveals the intricate interplay between data connectivity, training dynamics, and implicit regularization in matrix factorization models.

The expressive power of transformers over inputs of unbounded size can be studied through their ability to recognize classes of formal languages. In this paper, we establish exact characterizations of transformers with hard attention (in which all attention is focused on exactly one position) and attention masking (in which each position only attends to positions on one side). With strict masking (each position cannot attend to itself) and without position embeddings, these transformers are expressively equivalent to linear temporal logic (LTL), which defines exactly the star-free languages. A key technique is the use of Boolean RASP as a convenient intermediate language between transformers and LTL. We then take numerous results known for LTL and apply them to transformers, showing how position embeddings, strict masking, and depth all increase expressive power.

Implicit bias describes the phenomenon where optimization-based training algorithms, without explicit regularization, show a preference for simple estimators even when more complex estimators have equal objective values. Multiple works have developed the theory of implicit bias for binary classification under the assumption that the loss satisfies an exponential tail property. However, there is a noticeable gap in analysis for multiclass classification, with only a handful of results which themselves are restricted to the cross-entropy loss. In this work, we employ the framework of Permutation Equivariant and Relative Margin-based (PERM) losses [Wang and Scott, 2024] to introduce a multiclass extension of the exponential tail property. This class of losses includes not only cross-entropy but also other losses. Using this framework, we extend the implicit bias result of Soudry et al. [2018] to multiclass classification. Furthermore, our proof techniques closely mirror those of the binary case, thus illustrating the power of the PERM framework for bridging the binary-multiclass gap.

Pre-trained language models have been proven to possess strong base capabilities, which not only excel in in-distribution language modeling but also show powerful abilities in out-of-distribution language modeling, transfer learning and few-shot learning. Unlike existing work focusing on the influence of scale on base capabilities, our work examines the influence of architecture on those. Specifically, our concern is: How does architecture influence the base capabilities of pre-trained language models? In this work, we attempt to explain and reverse the decline in base capabilities caused by the architecture of FFN-Wider Transformers, seeking to provide some insights. Through analysis, we found the contribution ratio of Multi-Head Attention (a combination function) to pre-trained language modeling is a key factor affecting base capabilities. FFN-Wider Transformers reduce the contribution ratio of this combination function, leading to a decline in base capabilities. We confirmed this by experiments and proposed Combination Enhanced Architecture (CEA) to address the decline in base capabilities of such models. Significantly, we extended our explanation and CEA to Mixture of Experts (MoE) Transformers. We successfully achieved significant improvements in base capabilities on a 14B parameter MoE model, demonstrating the practical application value of our work. This also indicates that our analysis has a certain guiding significance for architecture analysis, architecture improvement and architecture design.

We examine the continuous-time counterpart of mirror descent, namely mirror flow, on classification problems which are linearly separable. Such problems are minimised ‘at infinity’ and have many possible solutions; we study which solution is preferred by the algorithm depending on the mirror potential. For exponential tailed losses and under mild assumptions on the potential, we show that the iterates converge in direction towards a $\phi_\infty$-maximum margin classifier. The function $\phi_\infty$ is the horizon function of the mirror potential and characterises its shape ‘at infinity’. When the potential is separable, a simple formula allows to compute this function. We analyse several examples of potentials and provide numerical experiments highlighting our results.

Deep Neural Collapse (DNC) refers to the surprisingly rigid structure of the data representations in the final layers of Deep Neural Networks (DNNs). Though the phenomenon has been measured in a variety of settings, its emergence is typically explained via data-agnostic approaches, such as the unconstrained features model. In this work, we introduce a data-dependent setting where DNC forms due to feature learning through the average gradient outer product (AGOP). The AGOP is defined with respect to a learned predictor and is equal to the uncentered covariance matrix of its input-output gradients averaged over the training dataset. Deep Recursive Feature Machines are a method that constructs a neural network by iteratively mapping the data with the AGOP and applying an untrained random feature map. We demonstrate theoretically and empirically that DNC occurs in Deep Recursive Feature Machines as a consequence of the projection with the AGOP matrix computed at each layer. We then provide evidence that this mechanism holds for neural networks more generally. We show that the right singular vectors and values of the weights can be responsible for the majority of within-class variability collapse for DNNs trained in the feature learning regime. As observed in recent work, this singular structure is highly correlated with that of the AGOP.

Recently, there has been growing evidence that if the width and depth of a neural network are scaled toward the so-called rich feature learning limit ($\mu$P and its depth extension), then some hyperparameters --- such as the learning rate --- exhibit transfer from small to very large models. From an optimization perspective, this phenomenon is puzzling, as it implies that the loss landscape is consistently similar across very different model sizes. In this work, we study the landscape through the lens of the Hessian, with a focus on its largest eigenvalue (i.e. the sharpness), and find that certain spectral properties under $\mu$P are largely independent of the width and depth of the network along the training trajectory. We name this property *super consistency* of the landscape. On the other hand, we show that in the Neural Tangent Kernel (NTK) and other scaling regimes, the sharpness exhibits very different dynamics at different scales. But what causes these differences in the sharpness dynamics? Through a connection between the Hessian's and the NTK's spectrum, we argue that the cause lies in the presence (for $\mu$P) or progressive absence (for the NTK scaling) of feature learning.We corroborate our claims with a substantial suite of experiments, covering a wide range of datasets and architectures: from ResNets and Vision Transformers trained on benchmark vision datasets to Transformers-based language models trained on WikiText.

In current deep learning tasks, Adam-style optimizers—such as Adam, Adagrad, RMSprop, Adafactor, and Lion—have been widely used as alternatives to SGD-style optimizers. These optimizers typically update model parameters using the sign of gradients, resulting in more stable convergence curves. The learning rate and the batch size are the most critical hyperparameters for optimizers, which require careful tuning to enable effective convergence. Previous research has shown that the optimal learning rate increases linearly (or follows similar rules) with batch size for SGD-style optimizers. However, this conclusion is not applicable to Adam-style optimizers. In this paper, we elucidate the connection between optimal learning rates and batch sizes for Adam-style optimizers through both theoretical analysis and extensive experiments. First, we raise the scaling law between batch sizes and optimal learning rates in the “sign of gradient” case, in which we prove that the optimal learning rate first rises and then falls as the batch size increases. Moreover, the peak value of the surge will gradually move toward the larger batch size as training progresses.Second, we conduct experiments on various CV and NLP tasks and verify the correctness of the scaling law.

In this work we consider the problem of discretization of neural operators in a general setting. Using category theory, we give a no-go theorem that shows that diffeomorphisms between Hilbert spaces may not admit any continuous approximations by diffeomorphisms on finite spaces, even if the discretization is non-linear. This shows how infinite-dimensional Hilbert spaces and finite-dimensional vector spaces fundamentally differ. A key take-away is that to obtain discretization invariance, considerable effort is needed to ensure that finite-dimensional approximations of neural operator converge not only as sequences of functions, but that their representations converge in a suitable sense as well. With this perspective, we give several positive results. We first show that strongly monotone diffeomorphism operators always admit finite-dimensional strongly monotone diffeomorphisms. Next we show that bilipschitz neural operators may always be written via the repeated alternating composition of strongly monotone neural operators and invertible linear maps. We also show that such operators may be inverted locally via iteration provided that such inverse exists. Finally, we conclude by showing how our framework may be used `out of the box' to prove quantitative approximation results for discretization of neural operators.

We study the overfitting behavior of fully connected deep Neural Networks (NNs) with binary weights fitted to perfectly classify a noisy training set. We consider interpolation using both the smallest NN (having the minimal number of weights) and a random interpolating NN. For both learning rules, we prove overfitting is tempered. Our analysis rests on a new bound on the size of a threshold circuit consistent with a partial function. To the best of our knowledge, ours are the first theoretical results on benign or tempered overfitting that: (1) apply to deep NNs, and (2) do not require a very high or very low input dimension.

Many of the recent advances in computer vision and language models can be attributed to the success of transfer learning via the pre-training of large foundation models. However, a theoretical framework which explains this empirical success is incomplete and remains an active area of research. Flatness of the loss surface and neural collapse have recently emerged as useful pre-training metrics which shed light on the implicit biases underlying pre-training. In this paper, we explore the geometric complexity of a model's learned representations as a fundamental mechanism that relates these two concepts. We show through experiments and theory that mechanisms which affect the geometric complexity of the pre-trained network also influence the neural collapse. Furthermore, we show how this effect of the geometric complexity generalizes to the neural collapse of new classes as well, thus encouraging better performance on downstream tasks, particularly in the few-shot setting.

Deep learning sometimes appears to work in unexpected ways. In pursuit of a deeper understanding of its surprising behaviors, we investigate the utility of a simple yet accurate model of a trained neural network consisting of a sequence of first-order approximations telescoping out into a single empirically operational tool for practical analysis. Across three case studies, we illustrate how it can be applied to derive new empirical insights on a diverse range of prominent phenomena in the literature -- including double descent, grokking, linear mode connectivity, and the challenges of applying deep learning on tabular data -- highlighting that this model allows us to construct and extract metrics that help predict and understand the a priori unexpected performance of neural networks. We also demonstrate that this model presents a pedagogical formalism allowing us to isolate components of the training process even in complex contemporary settings, providing a lens to reason about the effects of design choices such as architecture & optimization strategy, and reveals surprising parallels between neural network learning and gradient boosting.

Transformers have achieved extraordinary success in modern machine learning due to their excellent ability to handle sequential data, especially in next-token prediction (NTP) tasks. However, the theoretical understanding of their performance in NTP is limited, with existing studies focusing mainly on asymptotic performance. This paper provides a fine-grained non-asymptotic analysis of the training dynamics of a one-layer transformer consisting of a self-attention module followed by a feed-forward layer. We first characterize the essential structural properties of training datasets for NTP using a mathematical framework based on partial orders. Then, we design a two-stage training algorithm, where the pre-processing stage for training the feed-forward layer and the main stage for training the attention layer exhibit fast convergence performance. Specifically, both layers converge sub-linearly to the direction of their corresponding max-margin solutions. We also show that the cross-entropy loss enjoys a linear convergence rate. Furthermore, we show that the trained transformer presents non-trivial prediction ability with dataset shift, which sheds light on the remarkable generalization performance of transformers. Our analysis technique involves the development of novel properties on the attention gradient and further in-depth analysis of how these properties contribute to the convergence of the training process. Our experiments further validate our theoretical findings.

How much data is required to learn the structure of a language via next-token prediction? We study this question for synthetic datasets generated via a Probabilistic Context-Free Grammar (PCFG)---a hierarchical generative model that captures the tree-like structure of natural languages. We determine token-token correlations analytically in our model and show that they can be used to build a representation of the grammar's hidden variables, the longer the range the deeper the variable. In addition, a finite training set limits the resolution of correlations to an effective range, whose size grows with that of the training set. As a result, a Language Model trained with increasingly many examples can build a deeper representation of the grammar's structure, thus reaching good performance despite the high dimensionality of the problem. We conjecture that the relationship between training set size and effective range of correlations holds beyond our synthetic datasets, and we test it in a collection of lines from Shakespeare's plays. In particular, we show that reducing the input size leads to saturation of the test loss decay at a characteristic training set size that can be predicted in our framework.

Deep neural networks (DNNs) lack the precise semantics and definitive probabilistic interpretation of probabilistic graphical models (PGMs). In this paper, we propose an innovative solution by constructing infinite tree-structured PGMs that correspond exactly to neural networks. Our research reveals that DNNs, during forward propagation, indeed perform approximations of PGM inference that are precise in this alternative PGM structure. Not only does our research complement existing studies that describe neural networks as kernel machines or infinite-sized Gaussian processes, it also elucidates a more direct approximation that DNNs make to exact inference in PGMs. Potential benefits include improved pedagogy and interpretation of DNNs, and algorithms that can merge the strengths of PGMs and DNNs.

While ensembling deep neural networks has shown promise in improving generalization performance, scaling current ensemble methods for large models remains challenging. Given that recent progress in deep learning is largely driven by the scale, exemplified by the widespread adoption of large-scale neural network architectures, scalability emerges an increasingly critical issue for machine learning algorithms in the era of large-scale models. In this work, we first showcase the potential of low precision ensembling, where ensemble members are derived from a single model within low precision number systems in a training-free manner. Our empirical analysis demonstrates the effectiveness of our proposed low precision ensembling method compared to existing ensemble approaches.

One-shot Federated Learning (OFL) significantly reduces communication costs in FL by aggregating trained models only once. However, the performance of advanced OFL methods is far behind the normal FL. In this work, we provide a causal view to find that this performance drop of OFL methods comes from the isolation problem, which means that local isolatedly trained models in OFL may easily fit to spurious correlations due to the data heterogeneity. From the causal perspective, we observe that the spurious fitting can be alleviated by augmenting intermediate features from other clients. Built upon our observation, we propose a novel learning approach to endow OFL with superb performance and low communication and storage costs, termed as FuseFL. Specifically, FuseFL decomposes neural networks into several blocks, and progressively trains and fuses each block following a bottom-up manner for feature augmentation, introducing no additional communication costs. Comprehensive experiments demonstrate that FuseFL outperforms existing OFL and ensemble FL by a significant margin. We conduct comprehensive experiments to show that FuseFL supports high scalability of clients, heterogeneous model training, and low memory costs. Our work is the first attempt using causality to analyze and alleviate data heterogeneity of OFL.

The visual medium (images and videos) naturally contains a large amount of information redundancy, thereby providing a great opportunity for leveraging efficiency in processing. While Vision Transformer (ViT) based models scale effectively to large data regimes, they fail to capitalize on this inherent redundancy, leading to higher computational costs. Mixture of Experts (MoE) networks demonstrate scalability while maintaining same inference-time costs, but they come with a larger parameter footprint. We present Mixture of Nested Experts (MoNE), which utilizes a nested structure for experts, wherein individual experts fall on an increasing compute-accuracy curve. Given a compute budget, MoNE learns to dynamically choose tokens in a priority order, and thus redundant tokens are processed through cheaper nested experts. Using this framework, we achieve equivalent performance as the baseline models, while reducing inference time compute by over two-fold. We validate our approach on standard image and video datasets - ImageNet-21K, Kinetics400, and Something-Something-v2. We further highlight MoNE's adaptability by showcasing its ability to maintain strong performance across different inference-time compute budgets on videos, using only a single trained model.

Recent years have witnessed a clear trend towards language models with an ever-increasing number of parameters, as well as the growing training overhead and memory usage. Distributed training, particularly through Sharded Data Parallelism (ShardedDP) which partitions optimizer states among workers, has emerged as a crucial technique to mitigate training time and memory usage. Yet, a major challenge in the scalability of ShardedDP is the intensive communication of weights and gradients. While compression techniques can alleviate this issue, they often result in worse accuracy. Driven by this limitation, we propose SDP4Bit (Toward 4Bit Communication Quantization in Sharded Data Parallelism for LLM Training), which effectively reduces the communication of weights and gradients to nearly 4 bits via two novel techniques: quantization on weight differences, and two-level gradient smooth quantization. Furthermore, SDP4Bit presents an algorithm-system co-design with runtime optimization to minimize the computation overhead of compression. Additional to the theoretical guarantees of convergence, we empirically evaluate the accuracy of SDP4Bit on the pre-training of GPT models with up to 6.7 billion parameters, and the results demonstrate a negligible impact on training loss. Furthermore, speed experiments show that SDP4Bit achieves up to 4.08× speedup in end-to-end throughput on a scale of 128 GPUs.

Due to the lack of state dimension optimization methods, deep state space models (SSMs) have sacrificed model capacity, training search space, or stability to alleviate computational costs caused by high state dimensions. In this work, we provide a structured pruning method for SSMs, Layer-Adaptive STate pruning (LAST), which reduces the state dimension of each layer in minimizing model-level energy loss by extending modal truncation for a single system. LAST scores are evaluated using $\mathcal{H}_{\infty}$ norms of subsystems for each state and layer-wise energy normalization. The scores serve as global pruning criteria, enabling cross-layer comparison of states and layer-adaptive pruning. Across various sequence benchmarks, LAST optimizes previous SSMs, revealing the redundancy and compressibility of their state spaces. Notably, we demonstrate that, on average, pruning 33\% of states still maintains performance with 0.52\% accuracy loss in multi-input multi-output SSMs without retraining. Code is available at https://github.com/msgwak/LAST.

Machine learning craves high-quality data which is a major bottleneck during realistic deployment, as it takes abundant resources and massive human labor to collect and label data. Unfortunately, label noise where image data mismatches with incorrect label exists ubiquitously in all kinds of datasets, significantly degrading the learning performance of deep networks. Learning with Label Noise (LNL) has been a common strategy for mitigating the influence of noisy labels. However, existing LNL methods either require pertaining using the memorization effect to separate clean data from noisy ones or rely on dataset assumptions that cannot extend to various scenarios. Thanks to the development of Multimodal Large Language Models (MLLMs) which possess massive knowledge and hold In-Context Learning (ICL) ability, this paper proposes NoiseGPT to effectively leverage MLLMs as a knowledge expert for conducting label noise detection and rectification. Specifically, we observe a probability curvature effect of MLLMs where clean and noisy examples reside on curvatures with different smoothness, further enabling the detection of label noise. By designing a token-wise Mix-of Feature (MoF) technique to produce the curvature, we propose an In-Context Discrepancy (ICD) measure to determine the authenticity of an image-label pair. Subsequently, we repeat such a process to find the best matching pairs to complete our label rectification. Through extensive experiments, we carefully demonstrate the effectiveness of NoiseGPT on detecting and cleansing dataset noise, especially on ILSVRC12, the AUROC of NoiseGPT reached over 0.92. And by integrating with existing methods, the classification performance can be significantly improved on noisy datasets, typically by 22.8% on 80% symmetric CIFAR-10 with M-correction.

Large Language Models (LLMs) have achieved remarkable success in various natural language processing tasks, including language modeling, understanding, and generation. However, the increased memory and computational costs associated with these models pose significant challenges for deployment on resource-limited devices. Structural pruning has emerged as a promising solution to reduce the costs of LLMs without requiring post-processing steps. Prior structural pruning methods either follow the dependence of structures at the cost of limiting flexibility, or introduce non-trivial additional parameters by incorporating different projection matrices. In this work, we propose a novel approach that relaxes the constraint imposed by regular structural pruning methods and eliminates the structural dependence along the embedding dimension. Our dimension-independent structural pruning method offers several benefits. Firstly, our method enables different blocks to utilize different subsets of the feature maps. Secondly, by removing structural dependence, we facilitate each block to possess varying widths along its input and output dimensions, thereby significantly enhancing the flexibility of structural pruning. We evaluate our method on various LLMs, including OPT, LLaMA, LLaMA-2, Phi-1.5, and Phi-2. Experimental results demonstrate that our approach outperforms other state-of-the-art methods, showing for the first time that structural pruning can achieve an accuracy similar to semi-structural pruning.

Foundation models are applied in a broad spectrum of settings with different inference constraints, from massive multi-accelerator clusters to resource-constrained standalone mobile devices. However, the substantial costs associated with training these models often limit the number of unique model sizes that can be offered. Consequently, practitioners are compelled to select a model that may not be optimally aligned with their specific latency and cost requirements. We present MatFormer, a novel Transformer architecture designed to provide elastic inference across diverse deployment constraints. MatFormer achieves this by incorporating a nested Feed Forward Network (FFN) block structure within a standard Transformer model. During training, we optimize the parameters of multiple nested FFN blocks with varying sizes, enabling the extraction of hundreds of accurate smaller models without incurring additional computational costs. We empirically validate the efficacy of MatFormer across different model classes (decoders and encoders) and modalities (language and vision), demonstrating its potential for real-world deployment. We show that a 850M decoder-only MatFormer language model (MatLM) allows us to extract multiple smaller models spanning from 582M to 850M parameters, each exhibiting better validation loss and one-shot downstream evaluations than independently trained counterparts. Furthermore, we observe that smaller encoders extracted from a universal MatFormer-based ViT (MatViT) encoder preserve the metric-space structure for adaptive large-scale retrieval. Finally, we showcase that speculative decoding with the accurate and consistent submodels extracted from MatFormer can lead to significant reduction in inference latency.

Mixture-of-Experts (MoE) models have recently gained steam in achieving the state-of-the-art performance in a wide range of tasks in computer vision and natural language processing. They effectively expand the model capacity while incurring a minimal increase in computation cost during training. However, deploying such models for inference is difficult due to their large model size and complex communication pattern. In this work, we provide a characterization of two MoE workloads, namely Language Modeling (LM) and Machine Translation (MT) and identify their sources of inefficiencies at deployment. We propose three optimization techniques to mitigate sources of inefficiencies, namely (1) Dynamic gating, (2) Expert Buffering, and (3) Expert load balancing. We show that dynamic gating improves maximum throughput by 6.21-11.55$\times$ for LM, 5.75-10.98$\times$ for MT Encoder and 2.58-5.71$\times$ for MT Decoder.It also reduces memory usage by up to 1.36$\times$ for LM and up to 1.1$\times$ for MT. We further propose Expert Buffering, a new caching mechanism that only keeps hot, active experts in GPU memory while buffering the rest in CPU memory. This reduces static memory allocation by 1.47$\times$. Finally, we propose a load balancing methodology that provides additional robustness to the workload. Our code is available at https://github.com/hyhuang00/moe_inference.

With the popularity of location-based services, human mobility prediction plays a key role in enhancing personalized navigation, optimizing recommendation systems, and facilitating urban mobility and planning. This involves predicting a user's next POI (point-of-interest) visit using their past visit history. However, the uneven distribution of visitations over time and space, namely the long-tail problem in spatial distribution, makes it difficult for AI models to predict those POIs that are less visited by humans. In light of this issue, we propose the $\underline{\bf{Lo}}$ng-$\underline{\bf{T}}$ail Adjusted $\underline{\bf{Next}}$ POI Prediction (LoTNext) framework for mobility prediction, combining a Long-Tailed Graph Adjustment module to reduce the impact of the long-tailed nodes in the user-POI interaction graph and a novel Long-Tailed Loss Adjustment module to adjust loss by logit score and sample weight adjustment strategy. Also, we employ the auxiliary prediction task to enhance generalization and accuracy. Our experiments with two real-world trajectory datasets demonstrate that LoTNext significantly surpasses existing state-of-the-art works. Our code is available at https://github.com/Yukayo/LoTNext.

Recent advancements in 3D generation have leveraged synthetic datasets with ground truth 3D assets and predefined camera trajectories. However, the potential of adopting real-world datasets, which can produce significantly more realistic 3D scenes, remains largely unexplored. In this work, we delve into the key challenge of the complex and scene-specific camera trajectories found in real-world captures. We introduce Director3D, a robust open-world text-to-3D generation framework, designed to generate both real-world 3D scenes and adaptive camera trajectories. To achieve this, (1) we first utilize a Trajectory Diffusion Transformer, acting as the \emph{Cinematographer}, to model the distribution of camera trajectories based on textual descriptions. Next, a Gaussian-driven Multi-view Latent Diffusion Model serves as the \emph{Decorator}, modeling the image sequence distribution given the camera trajectories and texts. This model, fine-tuned from a 2D diffusion model, directly generates pixel-aligned 3D Gaussians as an immediate 3D scene representation for consistent denoising. Lastly, the 3D Gaussians are further refined by a novel SDS++ loss as the \emph{Detailer}, which incorporates the prior of the 2D diffusion model. Extensive experiments demonstrate that Director3D outperforms existing methods, offering superior performance in real-world 3D generation.

Data-driven autonomous driving motion generation tasks are frequently impacted by the limitations of dataset size and the domain gap between datasets, which precludes their extensive application in real-world scenarios. To address this issue, we introduce SMART, a novel autonomous driving motion generation paradigm that models vectorized map and agent trajectory data into discrete sequence tokens. These tokens are then processed through a decoder-only transformer architecture to train for the next token prediction task across spatial-temporal series. This GPT-style method allows the model to learn the motion distribution in real driving scenarios. SMART achieves state-of-the-art performance across most of the metrics on the generative Sim Agents challenge, ranking 1st on the leaderboards of Waymo Open Motion Dataset (WOMD), demonstrating remarkable inference speed. Moreover, SMART represents the generative model in the autonomous driving motion domain, exhibiting zero-shot generalization capabilities: Using only the NuPlan dataset for training and WOMD for validation, SMART achieved a competitive score of 0.72 on the Sim Agents challenge. Lastly, we have collected over 1 billion motion tokens from multiple datasets, validating the model's scalability. These results suggest that SMART has initially emulated two important properties: scalability and zero-shot generalization, and preliminarily meets the needs of large-scale real-time simulation applications. We have released all the code to promote the exploration of models for motion generation in the autonomous driving field. The source code is available at https://github.com/rainmaker22/SMART.

We study the geometry of conditional optimal transport (COT) and prove a dynamic formulation which generalizes the Benamou-Brenier Theorem. Equipped with these tools, we propose a simulation-free flow-based method for conditional generative modeling. Our method couples an arbitrary source distribution to a specified target distribution through a triangular COT plan, and a conditional generative model is obtained by approximating the geodesic path of measures induced by this COT plan. Our theory and methods are applicable in infinite-dimensional settings, making them well suited for a wide class of Bayesian inverse problems. Empirically, we demonstrate that our method is competitive on several challenging conditional generation tasks, including an infinite-dimensional inverse problem.

We present SCube, a novel method for reconstructing large-scale 3D scenes (geometry, appearance, and semantics) from a sparse set of posed images. Our method encodes reconstructed scenes using a novel representation VoxSplat, which is a set of 3D Gaussians supported on a high-resolution sparse-voxel scaffold. To reconstruct a VoxSplat from images, we employ a hierarchical voxel latent diffusion model conditioned on the input images followed by a feedforward appearance prediction model. The diffusion model generates high-resolution grids progressively in a coarse-to-fine manner, and the appearance network predicts a set of Gaussians within each voxel. From as few as 3 non-overlapping input images, SCube can generate millions of Gaussians with a 10243 voxel grid spanning hundreds of meters in 20 seconds. Past works tackling scene reconstruction from images either rely on per-scene optimization and fail to reconstruct the scene away from input views (thus requiring dense view coverage as input) or leverage geometric priors based on low-resolution models, which produce blurry results. In contrast, SCube leverages high-resolution sparse networks and produces sharp outputs from few views. We show the superiority of SCube compared to prior art using the Waymo self-driving dataset on 3D reconstruction and demonstrate its applications, such as LiDAR simulation and text-to-scene generation.

Automatically generating novel and interesting games is a complex task. Challenges include representing game rules in a computationally workable form, searching through the large space of potential games under most such representations, and accurately evaluating the originality and quality of previously unseen games. Prior work in automated game generation has largely focused on relatively restricted rule representations and relied on domain-specific heuristics. In this work, we explore the generation of novel games in the comparatively expansive Ludii game description language, which encodes the rules of over 1000 board games in a variety of styles and modes of play. We draw inspiration from recent advances in large language models and evolutionary computation in order to train a model that intelligently mutates and recombines games and mechanics expressed as code. We demonstrate both quantitatively and qualitatively that our approach is capable of generating new and interesting games, including in regions of the potential rules space not covered by existing games in the Ludii dataset.

The goal of data attribution for text-to-image models is to identify the training images that most influence the generation of a new image. Influence is defined such that, for a given output, if a model is retrained from scratch without the most influential images, the model would fail to reproduce the same output. Unfortunately, directly searching for these influential images is computationally infeasible, since it would require repeatedly retraining models from scratch. In our work, we propose an efficient data attribution method by simulating unlearning the synthesized image. We achieve this by increasing the training loss on the output image, without catastrophic forgetting of other, unrelated concepts. We then identify training images with significant loss deviations after the unlearning process and label these as influential. We evaluate our method with a computationally intensive but "gold-standard" retraining from scratch and demonstrate our method's advantages over previous methods.

Large language models (LLMs) with billions of parameters demonstrate impressive performance. However, the widely used Multi-Head Attention (MHA) in LLMs incurs substantial computational and memory costs during inference. While some efforts have optimized attention mechanisms by pruning heads or sharing parameters among heads, these methods often lead to performance degradation or necessitate substantial continued pre-training costs to restore performance. Based on the analysis of attention redundancy, we design a Decoupled-Head Attention (DHA) mechanism. DHA adaptively configures group sharing for key heads and value heads across various layers, achieving a better balance between performance and efficiency. Inspired by the observation of clustering similar heads, we propose to progressively transform the MHA checkpoint into the DHA model through linear fusion of similar head parameters step by step, retaining the parametric knowledge of the MHA checkpoint. We construct DHA models by transforming various scales of MHA checkpoints given target head budgets. Our experiments show that DHA remarkably requires a mere 0.25\% of the original model's pre-training budgets to achieve 97.6\% of performance while saving 75\% of KV cache. Compared to Group-Query Attention (GQA), DHA achieves a 12$\times$ training acceleration, a maximum of 24.85\% performance improvement under 0.2B tokens budget, and finally 2.3\% overall performance improvement.

The distribution of pedestrian trajectories is highly complex and influenced by the scene, nearby pedestrians, and subjective intentions. This complexity presents challenges for modeling and generalizing trajectory prediction. Previous methods modeled the feature space of future trajectories based on the high-dimensional feature space of historical trajectories, but this approach is suboptimal because it overlooks the similarity between historical and future trajectories. Our proposed method, TrajCLIP, utilizes contrastive learning and idempotent generative networks to address this issue. By pairing historical and future trajectories and applying contrastive learning on the encoded feature space, we enforce same-space consistency constraints. To manage complex distributions, we use idempotent loss and tightness loss to control over-expansion in the latent space. Additionally, we have developed a trajectory interpolation algorithm and synthetic trajectory data to enhance model capacity and improve generalization. Experimental results on public datasets demonstrate that TrajCLIP achieves state-of-the-art performance and excels in scene-to-scene transfer, few-shot transfer, and online learning tasks.

Rare event sampling in dynamical systems is a fundamental problem arising in the natural sciences, which poses significant computational challenges due to an exponentially large space of trajectories. For settings where the dynamical system of interest follows a Brownian motion with known drift, the question of conditioning the process to reach a given endpoint or desired rare event is definitively answered by Doob's $h$-transform. However, the naive estimation of this transform is infeasible, as it requires simulating sufficiently many forward trajectories to estimate rare event probabilities. In this work, we propose a variational formulation of Doob's $h$-transform as an optimization problem over trajectories between a given initial point and the desired ending point. To solve this optimization, we propose a simulation-free training objective with a model parameterization that imposes the desired boundary conditions by design. Our approach significantly reduces the search space over trajectories and avoids expensive trajectory simulation and inefficient importance sampling estimators which are required in existing methods. We demonstrate the ability of our method to find feasible transition paths on real-world molecular simulation and protein folding tasks.

Tokenization is widely used in large language models because it significantly improves performance. However, tokenization imposes several disadvantages, such as performance biases, increased adversarial vulnerability, decreased character-level modeling performance, and increased modeling complexity. To address these disadvantages without sacrificing performance, we propose SpaceByte, a novel byte-level decoder architecture that closes the performance gap between byte-level and subword autoregressive language modeling. SpaceByte consists of a byte-level Transformer model, but with extra larger transformer blocks inserted in the middle of the layers. We find that performance is significantly improved by applying these larger blocks only after certain bytes, such as space characters, which typically denote word boundaries. Our experiments show that for a fixed training and inference compute budget, SpaceByte outperforms other byte-level architectures and roughly matches the performance of tokenized Transformer architectures.

The polygon mesh representation of 3D data exhibits great flexibility, fast rendering speed, and storage efficiency, which is widely preferred in various applications. However, given its unstructured graph representation, the direct generation of high-fidelity 3D meshes is challenging. Fortunately, with a pre-defined ordering strategy, 3D meshes can be represented as sequences, and the generation process can be seamlessly treated as an auto-regressive problem. In this paper, we validate Neural Coordinate Field (NeurCF), an explicit coordinate representation with implicit neural embeddings, is a simple-yet-effective representation for large-scale sequential mesh modeling. After that, we present MeshXL, a family of generative pre-trained auto-regressive models that addresses 3D mesh generation with modern large language model approaches. Extensive experiments show that MeshXL is able to generate high-quality 3D meshes, and can also serve as foundation models for various down-stream applications.

We introduce a radiance representation that is both structured and fully explicit and thus greatly facilitates 3D generative modeling. Existing radiance representations either require an implicit feature decoder, which significantly degrades the modeling power of the representation, or are spatially unstructured, making them difficult to integrate with mainstream 3D diffusion methods. We derive GaussianCube by first using a novel densification-constrained Gaussian fitting algorithm, which yields high-accuracy fitting using a fixed number of free Gaussians, and then rearranging these Gaussians into a predefined voxel grid via Optimal Transport. Since GaussianCube is a structured grid representation, it allows us to use standard 3D U-Net as our backbone in diffusion modeling without elaborate designs. More importantly, the high-accuracy fitting of the Gaussians allows us to achieve a high-quality representation with orders of magnitude fewer parameters than previous structured representations for comparable quality, ranging from one to two orders of magnitude. The compactness of GaussianCube greatly eases the difficulty of 3D generative modeling. Extensive experiments conducted on unconditional and class-conditioned object generation, digital avatar creation, and text-to-3D synthesis all show that our model achieves state-of-the-art generation results both qualitatively and quantitatively, underscoring the potential of GaussianCube as a highly accurate and versatile radiance representation for 3D generative modeling.

Large language models are often ranked according to their level of alignment with human preferences---a model is better than other models if its outputs are more frequently preferred by humans. One of the popular ways to elicit human preferences utilizes pairwise comparisons between the outputs provided by different models to the same inputs. However, since gathering pairwise comparisons by humans is costly and time-consuming, it has become a common practice to gather pairwise comparisons by a strong large language model---a model strongly aligned with human preferences. Surprisingly, practitioners cannot currently measure the uncertainty that any mismatch between human and model preferences may introduce in the constructed rankings. In this work, we develop a statistical framework to bridge this gap. Given a (small) set of pairwise comparisons by humans and a large set of pairwise comparisons by a model, our framework provides a rank-set---a set of possible ranking positions---for each of the models under comparison. Moreover, it guarantees that, with a probability greater than or equal to a user-specified value, the rank-sets cover the true ranking consistent with the distribution of human pairwise preferences asymptotically. Using pairwise comparisons made by humans in the LMSYS Chatbot Arena platform and pairwise comparisons made by three strong large language models, we empirically demonstrate the effectivity of our framework and show that the rank-sets constructed using only pairwise comparisons by the strong large language models are often inconsistent with (the distribution of) human pairwise preferences.

Neural population activity often exhibits distinct dynamical features across time, which may correspond to distinct internal processes or behavior. Linear methods and variations thereof, such as Hidden Markov Model (HMM) and Switching Linear Dynamical System (SLDS), are often employed to identify discrete states with evolving neural dynamics. However, these techniques may not be able to capture the underlying nonlinear dynamics associated with neural propagation. Recurrent Neural Networks (RNNs) are commonly used to model neural dynamics thanks to their nonlinear characteristics. In our work, we develop Switching Recurrent Neural Networks (SRNN), RNNs with weights that switch across time, to reconstruct switching dynamics of neural time-series data. We apply these models to simulated data as well as cortical neural activity across mice and monkeys, which allows us to automatically detect discrete states that lead to the identification of varying neural dynamics. In a monkey reaching dataset with electrophysiology recordings, a mouse self-initiated lever pull dataset with widefield calcium recordings, and a mouse self-initiated decision making dataset with widefield calcium recording, SRNNs are able to automatically identify discrete states with distinct nonlinear neural dynamics. The inferred switches are aligned with the behavior, and the reconstructions show that the recovered neural dynamics are distinct across different stages of the behavior. We show that the neural dynamics have behaviorally-relevant switches across time and we are able to use SRNNs to successfully capture these switches and the corresponding dynamical features.

There has been exciting progress in generating images from natural language or layout conditions. However, these methods struggle to faithfully reproduce complex scenes due to the insufficient modeling of multiple objects and their relationships. To address this issue, we leverage the scene graph, a powerful structured representation, for complex image generation. Different from the previous works that directly use scene graphs for generation, we employ the generative capabilities of variational autoencoders and diffusion models in a generalizable manner, compositing diverse disentangled visual clues from scene graphs. Specifically, we first propose a Semantics-Layout Variational AutoEncoder (SL-VAE) to jointly derive (layouts, semantics) from the input scene graph, which allows a more diverse and reasonable generation in a one-to-many mapping. We then develop a Compositional Masked Attention (CMA) integrated with a diffusion model, incorporating (layouts, semantics) with fine-grained attributes as generation guidance. To further achieve graph manipulation while keeping the visual content consistent, we introduce a Multi-Layered Sampler (MLS) for an "isolated" image editing effect. Extensive experiments demonstrate that our method outperforms recent competitors based on text, layout, or scene graph, in terms of generation rationality and controllability.

Lately, there has been a surge in interest surrounding generative modeling of time series data. Most existing approaches are designed either to process short sequences or to handle long-range sequences. This dichotomy can be attributed to gradient issues with recurrent networks, computational costs associated with transformers, and limited expressiveness of state space models. Towards a unified generative model for varying-length time series, we propose in this work to transform sequences into images. By employing invertible transforms such as the delay embedding and the short-time Fourier transform, we unlock three main advantages: i) We can exploit advanced diffusion vision models; ii) We can remarkably process short- and long-range inputs within the same framework; and iii) We can harness recent and established tools proposed in the time series to image literature. We validate the effectiveness of our method through a comprehensive evaluation across multiple tasks, including unconditional generation, interpolation, and extrapolation. We show that our approach achieves consistently state-of-the-art results against strong baselines. In the unconditional generation tasks, we show remarkable mean improvements of $58.17$% over previous diffusion models in the short discriminative score and $132.61$% in the (ultra-)long classification scores. Code is at https://github.com/azencot-group/ImagenTime.

The recent emergence of diffusion models has significantly advanced the precision of learnable priors, presenting innovative avenues for addressing inverse problems. Previous works have endeavored to integrate diffusion priors into the maximum a posteriori estimation (MAP) framework and design optimization methods to solve the inverse problem. However, prevailing optimization-based rithms primarily exploit the prior information within the diffusion models while neglecting their denoising capability. To bridge this gap, this work leverages the diffusion process to reframe noisy inverse problems as a two-variable constrained optimization task by introducing an auxiliary optimization variable that represents a 'noisy' sample at an equivalent denoising step. The projection gradient descent method is efficiently utilized to solve the corresponding optimization problem by truncating the gradient through the $\mu$-predictor. The proposed algorithm, termed ProjDiff, effectively harnesses the prior information and the denoising capability of a pre-trained diffusion model within the optimization framework. Extensive experiments on the image restoration tasks and source separation and partial generation tasks demonstrate that ProjDiff exhibits superior performance across various linear and nonlinear inverse problems, highlighting its potential for practical applications. Code is available at https://github.com/weigerzan/ProjDiff/.

We introduce ReplaceAnything3D model RAM3D, a novel method for 3D object replacement in 3D scenes based on users' text description. Given multi-view images of a scene, a text prompt describing the object to replace, and another describing the new object, our Erase-and-Replace approach can effectively swap objects in 3D scenes with newly generated content while maintaining 3D consistency across multiple viewpoints. We demonstrate the versatility of RAM3D by applying it to various realistic 3D scene types, showcasing results of modified objects that blend in seamlessly with the scene without impacting its overall integrity.

Graph diffusion models have emerged as state-of-the-art techniques in graph generation; yet, integrating domain knowledge into these models remains challenging. Domain knowledge is particularly important in real-world scenarios, where invalid generated graphs hinder deployment in practical applications.Unconstrained and conditioned graph diffusion models fail to guarantee such domain-specific structural properties. We present ConStruct, a novel framework that enables graph diffusion models to incorporate hard constraints on specific properties, such as planarity or acyclicity.Our approach ensures that the sampled graphs remain within the domain of graphs that satisfy the specified property throughout the entire trajectory in both the forward and reverse processes. This is achieved by introducing an edge-absorbing noise model and a new projector operator.ConStruct demonstrates versatility across several structural and edge-deletion invariant constraints and achieves state-of-the-art performance for both synthetic benchmarks and attributed real-world datasets. For example, by incorporating planarity constraints in digital pathology graph datasets, the proposed method outperforms existing baselines, improving data validity by up to 71.1 percentage points.

Large-scale training of latent diffusion models (LDMs) has enabled unprecedented quality in image generation. However, large-scale end-to-end training of these models is computationally costly, and hence most research focuses either on finetuning pretrained models or experiments at smaller scales.In this work we aim to improve the training efficiency and performance of LDMs with the goal of scaling to larger datasets and higher resolutions.We focus our study on two points that are critical for good performance and efficient training: (i) the mechanisms used for semantic level (\eg a text prompt, or class name) and low-level (crop size, random flip, \etc) conditioning of the model, and (ii) pre-training strategies to transfer representations learned on smaller and lower-resolution datasets to larger ones.The main contributions of our work are the following: we present systematic experimental study of these points, we propose a novel conditioning mechanism that disentangles semantic and low-level conditioning, we obtain state-of-the-art performance on CC12M for text-to-image at 512 resolution.

Recent advancements in solving Bayesian inverse problems have spotlighted denoising diffusion models (DDMs) as effective priors.Although these have great potential, DDM priors yield complex posterior distributions that are challenging to sample from.Existing approaches to posterior sampling in this context address this problem either by retraining model-specific components, leading to stiff and cumbersome methods, or by introducing approximations with uncontrolled errors that affect the accuracy of the produced samples.We present an innovative framework, divide-and-conquer posterior sampling, which leverages the inherent structure of DDMs to construct a sequence of intermediate posteriors that guide the produced samples to the target posterior.Our method significantly reduces the approximation error associated with current techniques without the need for retraining.We demonstrate the versatility and effectiveness of our approach for a wide range of Bayesian inverse problems.The code is available at \url{https://github.com/Badr-MOUFAD/dcps}

Diffusion models (DMs) have become the dominant paradigm of generative modeling in a variety of domains by learning stochastic processes from noise to data. Recently, diffusion denoising bridge models (DDBMs), a new formulation of generative modeling that builds stochastic processes between fixed data endpoints based on a reference diffusion process, have achieved empirical success across tasks with coupled data distribution, such as image-to-image translation. However, DDBM's sampling process typically requires hundreds of network evaluations to achieve decent performance, which may impede their practical deployment due to high computational demands. In this work, inspired by the recent advance of consistency models in DMs, we tackle this problem by learning the consistency function of the probability-flow ordinary differential equation (PF-ODE) of DDBMs, which directly predicts the solution at a starting step given any point on the ODE trajectory. Based on a dedicated general-form ODE solver, we propose two paradigms: consistency bridge distillation and consistency bridge training, which is flexible to apply on DDBMs with broad design choices. Experimental results show that our proposed method could sample $4\times$ to $50\times$ faster than the base DDBM and produce better visual quality given the same step in various tasks with pixel resolution ranging from $64 \times 64$ to $256 \times 256$, as well as supporting downstream tasks such as semantic interpolation in the data space.

Generative diffusion models and many stochastic models in science and engineering naturally live in infinite dimensions before discretisation. To incorporate observed data for statistical and learning tasks, one needs to condition on observations. While recent work has treated conditioning linear processes in infinite dimensions, conditioning non-linear processes in infinite dimensions has not been explored. This paper conditions function valued stochastic processes without prior discretisation. To do so, we use an infinite-dimensional version of Girsanov's theorem to condition a function-valued stochastic process, leading to a stochastic differential equation (SDE) for the conditioned process involving the score. We apply this technique to do time series analysis for shapes of organisms in evolutionary biology, where we discretise via the Fourier basis and then learn the coefficients of the score function with score matching methods.

Transformer-based Diffusion Probabilistic Models (DPMs) have shown more potential than CNN-based DPMs, yet their extensive computational requirements hinder widespread practical applications. To reduce the computation budget of transformer-based DPMs, this work proposes the Efficient Diffusion Transformer (EDT) framework. This framework includes a lightweight-design diffusion model architecture, and a training-free Attention Modulation Matrix and its alternation arrangement in EDT inspired by human-like sketching. Additionally, we propose a token relation-enhanced masking training strategy tailored explicitly for EDT to augment its token relation learning capability. Our extensive experiments demonstrate the efficacy of EDT. The EDT framework reduces training and inference costs and surpasses existing transformer-based diffusion models in image synthesis performance, thereby achieving a significant overall enhancement. With lower FID, EDT-S, EDT-B, and EDT-XL attained speed-ups of 3.93x, 2.84x, and 1.92x respectively in the training phase, and 2.29x, 2.29x, and 2.22x respectively in inference, compared to the corresponding sizes of MDTv2. Our code is available at https://github.com/xinwangChen/EDT.

Diffusion models have achieved remarkable advancements in text-to-image generation. However, existing models still have many difficulties when faced with multiple-object compositional generation. In this paper, we propose RealCompo, a new training-free and transferred-friendly text-to-image generation framework, which aims to leverage the respective advantages of text-to-image models and spatial-aware image diffusion models (e.g., layout, keypoints and segmentation maps) to enhance both realism and compositionality of the generated images. An intuitive and novel balancer is proposed to dynamically balance the strengths of the two models in denoising process, allowing plug-and-play use of any model without extra training. Extensive experiments show that our RealCompo consistently outperforms state-of-the-art text-to-image models and spatial-aware image diffusion models in multiple-object compositional generation while keeping satisfactory realism and compositionality of the generated images. Notably, our RealCompo can be seamlessly extended with a wide range of spatial-aware image diffusion models and stylized diffusion models. Code is available at: https://github.com/YangLing0818/RealCompo

Diffusion models have significantly advanced the field of generative modeling. However, training a diffusion model is computationally expensive, creating a pressing need to adapt off-the-shelf diffusion models for downstream generation tasks. Current fine-tuning methods focus on parameter-efficient transfer learning but overlook the fundamental transfer characteristics of diffusion models. In this paper, we investigate the transferability of diffusion models and observe a monotonous chain of forgetting trend of transferability along the reverse process. Based on this observation and novel theoretical insights, we present Diff-Tuning, a frustratingly simple transfer approach that leverages the chain of forgetting tendency. Diff-Tuning encourages the fine-tuned model to retain the pre-trained knowledge at the end of the denoising chain close to the generated data while discarding the other noise side. We conduct comprehensive experiments to evaluate Diff-Tuning, including the transfer of pre-trained Diffusion Transformer models to eight downstream generations and the adaptation of Stable Diffusion to five control conditions with ControlNet. Diff-Tuning achieves a 24.6% improvement over standard fine-tuning and enhances the convergence speed of ControlNet by 24%. Notably, parameter-efficient transfer learning techniques for diffusion models can also benefit from Diff-Tuning. Code is available at this repository: https://github.com/thuml/Diffusion-Tuning.

Providing functionality through articulation and interaction with objects is a key objective in 3D generation. We introduce MIDGArD (Modular Interpretable Diffusion over Graphs for Articulated Designs), a novel diffusion-based framework for articulated 3D asset generation. MIDGArD improves over foundational work in the field by enhancing quality, consistency, and controllability in the generation process. This is achieved through MIDGArD's modular approach that separates the problem into two primary components: structure generation and shape generation. The structure generation module of MIDGArD aims at producing coherent articulation features from noisy or incomplete inputs. It acts on the object's structural and kinematic attributes, represented as features of a graph that are being progressively denoised to issue coherent and interpretable articulation solutions. This denoised graph then serves as an advanced conditioning mechanism for the shape generation module, a 3D generative model that populates each link of the articulated structure with consistent 3D meshes. Experiments show the superiority of MIDGArD on the quality, consistency, and interpretability of the generated assets. Importantly, the generated models are fully simulatable, i.e., can be seamlessly integrated into standard physics engines such as MuJoCo, broadening MIDGArD's applicability to fields such as digital content creation, meta realities, and robotics.

While diffusion models can learn complex distributions, sampling requires a computationally expensive iterative process. Existing distillation methods enable efficient sampling, but have notable limitations, such as performance degradation with very few sampling steps, reliance on training data access, or mode-seeking optimization that may fail to capture the full distribution. We propose EM Distillation (EMD), a maximum likelihood-based approach that distills a diffusion model to a one-step generator model with minimal loss of perceptual quality. Our approach is derived through the lens of Expectation-Maximization (EM), where the generator parameters are updated using samples from the joint distribution of the diffusion teacher prior and inferred generator latents. We develop a reparametrized sampling scheme and a noise cancellation technique that together stabilizes the distillation process. We further reveal an interesting connection of our method with existing methods that minimize mode-seeking KL. EMD outperforms existing one-step generative methods in terms of FID scores on ImageNet-64 and ImageNet-128, and compares favorably with prior work on distilling text-to-image diffusion models.

Recent advancements in vision-language-to-image (VL2I) diffusion generation have made significant progress. While generating images from broad vision-language inputs holds promise, it also raises concerns about potential misuse, such as copying artistic styles without permission, which could have legal and social consequences. Therefore, it's crucial to establish governance frameworks to ensure ethical and copyright integrity, especially with widely used diffusion models. To address these issues, researchers have explored various approaches, such as dataset filtering, adversarial perturbations, machine unlearning, and inference-time refusals. However, these methods often lack either scalability or effectiveness. In response, we propose a new framework called causal representation editing (CRE), which extends representation editing from large language models (LLMs) to diffusion-based models. CRE enhances the efficiency and flexibility of safe content generation by intervening at diffusion timesteps causally linked to unsafe concepts. This allows for precise removal of harmful content while preserving acceptable content quality, demonstrating superior effectiveness, precision and scalability compared to existing methods. CRE can handle complex scenarios, including incomplete or blurred representations of unsafe concepts, offering a promising solution to challenges in managing harmful content generation in diffusion-based models.

Diffusion models excel in solving imaging inverse problems due to their ability to model complex image priors. However, their reliance on large, clean datasets for training limits their practical use where clean data is scarce. In this paper, we propose EMDiffusion, an expectation-maximization (EM) approach to train diffusion models from corrupted observations. Our method alternates between reconstructing clean images from corrupted data using a known diffusion model (E-step) and refining diffusion model weights based on these reconstructions (M-step). This iterative process leads the learned diffusion model to gradually converge to a local optimum, that is, to approximate the true clean data distribution. We validate our method through extensive experiments on diverse computational imaging tasks, including random inpainting, denoising, and deblurring, achieving new state-of-the-art performance.

Diffusion models face significant challenges when employed for large-scale medical image reconstruction in real practice such as 3D Computed Tomography (CT).Due to the demanding memory, time, and data requirements, it is difficult to train a diffusion model directly on the entire volume of high-dimensional data to obtain an efficient 3D diffusion prior. Existing works utilizing diffusion priors on single 2D image slice with hand-crafted cross-slice regularization would sacrifice the z-axis consistency, which results in severe artifacts along the z-axis. In this work, we propose a novel framework that enables learning the 3D image prior through position-aware 3D-patch diffusion score blending for reconstructing large-scale 3D medical images. To the best of our knowledge, we are the first to utilize a 3D-patch diffusion prior for 3D medical image reconstruction. Extensive experiments on sparse view and limited angle CT reconstructionshow that our DiffusionBlend method significantly outperforms previous methodsand achieves state-of-the-art performance on real-world CT reconstruction problems with high-dimensional 3D image (i.e., $256 \times 256 \times 500$). Our algorithm also comes with better or comparable computational efficiency than previous state-of-the-art methods. Code is available at https://github.com/efzero/DiffusionBlend.

We investigate the statistical and computational limits of latent Diffusion Transformers (DiTs) under the low-dimensional linear latent space assumption. Statistically, we study the universal approximation and sample complexity of the DiTs score function, as well as the distribution recovery property of the initial data. Specifically, under mild data assumptions, we derive an approximation error bound for the score network of latent DiTs, which is sub-linear in the latent space dimension. Additionally, we derive the corresponding sample complexity bound and show that the data distribution generated from the estimated score function converges toward a proximate area of the original one.Computationally, we characterize the hardness of both forward inference and backward computation of latent DiTs, assuming the Strong Exponential Time Hypothesis (SETH). For forward inference, we identify efficient criteria for all possible latent DiTs inference algorithms and showcase our theory by pushing the efficiency toward almost-linear time inference. For backward computation, we leverage the low-rank structure within the gradient computation of DiTs training for possible algorithmic speedup. Specifically, we show that such speedup achieves almost-linear time latent DiTs training by casting the DiTs gradient as a series of chained low-rank approximations with bounded error.Under the low-dimensional assumption, we show that the statistical rates and the computational efficiency are all dominated by the dimension of the subspace, suggesting that latent DiTs have the potential to bypass the challenges associated with the high dimensionality of initial data.

The utilization of large foundational models has a dilemma: while fine-tuning downstream tasks from them holds promise for making use of the well-generalized knowledge in practical applications, their open accessibility also poses threats of adverse usage.This paper, for the first time, explores the feasibility of adversarial attacking various downstream models fine-tuned from the segment anything model (SAM), by solely utilizing the information from the open-sourced SAM. In contrast to prevailing transfer-based adversarial attacks, we demonstrate the existence of adversarial dangers even without accessing the downstream task and dataset to train a similar surrogate model.To enhance the effectiveness of the adversarial attack towards models fine-tuned on unknown datasets, we propose a universal meta-initialization (UMI) algorithm to extract the intrinsic vulnerability inherent in the foundation model, which is then utilized as the prior knowledge to guide the generation of adversarial perturbations.Moreover, by formulating the gradient difference in the attacking process between the open-sourced SAM and its fine-tuned downstream models, we theoretically demonstrate that a deviation occurs in the adversarial update direction by directly maximizing the distance of encoded feature embeddings in the open-sourced SAM.Consequently, we propose a gradient robust loss that simulates the associated uncertainty with gradient-based noise augmentation to enhance the robustness of generated adversarial examples (AEs) towards this deviation, thus improving the transferability.Extensive experiments demonstrate the effectiveness of the proposed universal meta-initialized and gradient robust adversarial attack (UMI-GRAT) toward SAMs and their downstream models.Code is available at https://github.com/xiasong0501/GRAT.

Video generation primarily aims to model authentic and customized motion across frames, making understanding and controlling the motion a crucial topic. Most diffusion-based studies on video motion focus on motion customization with training-based paradigms, which, however, demands substantial training resources and necessitates retraining for diverse models. Crucially, these approaches do not explore how video diffusion models encode cross-frame motion information in their features, lacking interpretability and transparency in their effectiveness. To answer this question, this paper introduces a novel perspective to understand, localize, and manipulate motion-aware features in video diffusion models. Through analysis using Principal Component Analysis (PCA), our work discloses that robust motion-aware feature already exists in video diffusion models. We present a new MOtion FeaTure (MOFT) by eliminating content correlation information and filtering motion channels. MOFT provides a distinct set of benefits, including the ability to encode comprehensive motion information with clear interpretability, extraction without the need for training, and generalizability across diverse architectures. Leveraging MOFT, we propose a novel training-free video motion control framework. Our method demonstrates competitive performance in generating natural and faithful motion, providing architecture-agnostic insights and applicability in a variety of downstream tasks.

Diffusion models (DMs) produce very detailed and high-quality images. Their power results from extensive training on large amounts of data - usually scraped from the internet without proper attribution or consent from content creators. Unfortunately, this practice raises privacy and intellectual property concerns, as DMs can memorize and later reproduce their potentially sensitive or copyrighted training images at inference time. Prior efforts prevent this issue by either changing the input to the diffusion process, thereby preventing the DM from generating memorized samples during inference, or removing the memorized data from training altogether. While those are viable solutions when the DM is developed and deployed in a secure and constantly monitored environment, they hold the risk of adversaries circumventing the safeguards and are not effective when the DM itself is publicly released. To solve the problem, we introduce NeMo, the first method to localize memorization of individual data samples down to the level of neurons in DMs' cross-attention layers. Through our experiments, we make the intriguing finding that in many cases, single neurons are responsible for memorizing particular training samples. By deactivating these memorization neurons, we can avoid the replication of training data at inference time, increase the diversity in the generated outputs, and mitigate the leakage of private and copyrighted data. In this way, our NeMo contributes to a more responsible deployment of DMs.

In this paper, we introduce Era3D, a novel multiview diffusion method that generates high-resolution multiview images from a single-view image. Despite significant advancements in multiview generation, existing methods still suffer from camera prior mismatch, inefficacy, and low resolution, resulting in poor-quality multiview images. Specifically, these methods assume that the input images should comply with a predefined camera type, e.g. a perspective camera with a fixed focal length, leading to distorted shapes when the assumption fails. Moreover, the full-image or dense multiview attention they employ leads to a dramatic explosion of computational complexity as image resolution increases, resulting in prohibitively expensive training costs. To bridge the gap between assumption and reality, Era3D first proposes a diffusion-based camera prediction module to estimate the focal length and elevation of the input image, which allows our method to generate images without shape distortions. Furthermore, a simple but efficient attention layer, named row-wise attention, is used to enforce epipolar priors in the multiview diffusion, facilitating efficient cross-view information fusion. Consequently, compared with state-of-the-art methods, Era3D generates high-quality multiview images with up to a 512×512 resolution while reducing computation complexity of multiview attention by 12x times. Comprehensive experiments demonstrate the superior generation power of Era3D- it can reconstruct high-quality and detailed 3D meshes from diverse single-view input images, significantly outperforming baseline multiview diffusion methods.

Diffusion models have demonstrated empirical successes in various applications and can be adapted to task-specific needs via guidance. This paper studies a form of gradient guidance for adapting a pre-trained diffusion model towards optimizing user-specified objectives. We establish a mathematical framework for guided diffusion to systematically study its optimization theory and algorithmic design. Our theoretical analysis spots a strong link between guided diffusion models and optimization: gradient-guided diffusion models are essentially sampling solutions to a regularized optimization problem, where the regularization is imposed by the pre-training data. As for guidance design, directly bringing in the gradient of an external objective function as guidance would jeopardize the structure in generated samples. We investigate a modified form of gradient guidance based on a forward prediction loss, which leverages the information in pre-trained score functions and provably preserves the latent structure. We further consider an iteratively fine-tuned version of gradient-guided diffusion where guidance and score network are both updated with newly generated samples. This process mimics a first-order optimization iteration in expectation, for which we proved $\tilde{\mathcal{O}}(1/K)$ convergence rate to the global optimum when the objective function is concave. Our code is released at https://github.com/yukang123/GGDMOptim.git.

We introduce a novel, training-free method for sampling differentiable representations (diffreps) using pretrained diffusion models. Rather than merely mode-seeking, our method achieves sampling by "pulling back" the dynamics of the reverse-time process—from the image space to the diffrep parameter space—and updating the parameters according to this pulled-back process. We identify an implicit constraint on the samples induced by the diffrep and demonstrate that addressing this constraint significantly improves the consistency and detail of the generated objects. Our method yields diffreps with substantially improved quality and diversity for images, panoramas, and 3D NeRFs compared to existing techniques. Our approach is a general-purpose method for sampling diffreps, expanding the scope of problems that diffusion models can tackle.

Continual learning (CL) is designed to learn new tasks while preserving existing knowledge. Replaying samples from earlier tasks has proven to be an effective method to mitigate the forgetting of previously acquired knowledge. However, the current research on the training efficiency of rehearsal-based methods is insufficient, which limits the practical application of CL systems in resource-limited scenarios. The human visual system (HVS) exhibits varying sensitivities to different frequency components, enabling the efficient elimination of visually redundant information. Inspired by HVS, we propose a novel framework called Continual Learning in the Frequency Domain (CLFD). To our knowledge, this is the first study to utilize frequency domain features to enhance the performance and efficiency of CL training on edge devices. For the input features of the feature extractor, CLFD employs wavelet transform to map the original input image into the frequency domain, thereby effectively reducing the size of input feature maps. Regarding the output features of the feature extractor, CLFD selectively utilizes output features for distinct classes for classification, thereby balancing the reusability and interference of output features based on the frequency domain similarity of the classes across various tasks. Optimizing only the input and output features of the feature extractor allows for seamless integration of CLFD with various rehearsal-based methods. Extensive experiments conducted in both cloud and edge environments demonstrate that CLFD consistently improves the performance of state-of-the-art (SOTA) methods in both precision and training efficiency. Specifically, CLFD can increase the accuracy of the SOTA CL method by up to 6.83% and reduce the training time by 2.6×.

Machine learning practitioners often face significant challenges in formally integrating their prior knowledge and beliefs into predictive models, limiting the potential for nuanced and context-aware analyses. Moreover, the expertise needed to integrate this prior knowledge into probabilistic modeling typically limits the application of these models to specialists. Our goal is to build a regression model that can process numerical data and make probabilistic predictions at arbitrary locations, guided by natural language text which describes a user's prior knowledge. Large Language Models (LLMs) provide a useful starting point for designing such a tool since they 1) provide an interface where users can incorporate expert insights in natural language and 2) provide an opportunity for leveraging latent problem-relevant knowledge encoded in LLMs that users may not have themselves. We start by exploring strategies for eliciting explicit, coherent numerical predictive distributions from LLMs. We examine these joint predictive distributions, which we call LLM Processes, over arbitrarily-many quantities in settings such as forecasting, multi-dimensional regression, black-box optimization, and image modeling. We investigate the practical details of prompting to elicit coherent predictive distributions, and demonstrate their effectiveness at regression. Finally, we demonstrate the ability to usefully incorporate text into numerical predictions, improving predictive performance and giving quantitative structure that reflects qualitative descriptions. This lets us begin to explore the rich, grounded hypothesis space that LLMs implicitly encode.

Segment Anything Model (SAM) has recently gained much attention for its outstanding generalization to unseen data and tasks. Despite its promising prospect, the vulnerabilities of SAM, especially to universal adversarial perturbation (UAP) have not been thoroughly investigated yet. In this paper, we propose DarkSAM, the first prompt-free universal attack framework against SAM, including a semantic decoupling-based spatial attack and a texture distortion-based frequency attack. We first divide the output of SAM into foreground and background. Then, we design a shadow target strategy to obtain the semantic blueprint of the image as the attack target. DarkSAM is dedicated to fooling SAM by extracting and destroying crucial object features from images in both spatial and frequency domains. In the spatial domain, we disrupt the semantics of both the foreground and background in the image to confuse SAM. In the frequency domain, we further enhance the attack effectiveness by distorting the high-frequency components (i.e., texture information) of the image. Consequently, with a single UAP, DarkSAM renders SAM incapable of segmenting objects across diverse images with varying prompts. Experimental results on four datasets for SAM and its two variant models demonstrate the powerful attack capability and transferability of DarkSAM. Our codes are available at: https://github.com/CGCL-codes/DarkSAM.

As Archimedes famously said, ``Give me a lever long enough and a fulcrum on which to place it, and I shall move the world'', in this study, we propose to use a tiny Language Model (LM), \eg, a Transformer with 67M parameters, to lever much larger Vision-Language Models (LVLMs) with 9B parameters. Specifically, we use this tiny \textbf{Lever-LM} to configure effective in-context demonstration (ICD) sequences to improve the In-Context Learinng (ICL) performance of LVLMs. Previous studies show that diverse ICD configurations like the selection and ordering of the demonstrations heavily affect the ICL performance, highlighting the significance of configuring effective ICD sequences. Motivated by this and by re-considering the the process of configuring ICD sequence, we find this is a mirror process of human sentence composition and further assume that effective ICD configurations may contain internal statistical patterns that can be captured by Lever-LM. Then a dataset with effective ICD sequences is constructed to train Lever-LM. After training, given novel queries, new ICD sequences are configured by the trained Lever-LM to solve vision-language tasks through ICL. Experiments show that these ICD sequences can improve the ICL performance of two LVLMs compared with some strong baselines in Visual Question Answering and Image Captioning, validating that Lever-LM can really capture the statistical patterns for levering LVLMs. The code is available at \url{https://anonymous.4open.science/r/Lever-LM-604A/}.

Large language models (LLMs) have demonstrated remarkable in-context learning capabilities across diverse applications. In this work, we explore the effectiveness of LLMs for generating realistic synthetic tabular data, identifying key prompt design elements to optimize performance. We introduce EPIC, a novel approach that leverages balanced, grouped data samples and consistent formatting with unique variable mapping to guide LLMs in generating accurate synthetic data across all classes, even for imbalanced datasets. Evaluations on real-world datasets show that EPIC achieves state-of-the-art machine learning classification performance, significantly improving generation efficiency. These findings highlight the effectiveness of EPIC for synthetic tabular data generation, particularly in addressing class imbalance.

Large Language Models (LLMs) have exhibited an impressive ability to perform In-Context Learning (ICL) from only a few examples. Recent works have indicated that the functions learned by ICL can be represented through compressed vectors derived from the transformer. However, the working mechanisms and optimization of these vectors are yet to be thoroughly explored. In this paper, we address this gap by presenting a comprehensive analysis of these compressed vectors, drawing parallels to the parameters trained with gradient descent, and introducing the concept of state vector. Inspired by the works on model soup and momentum-based gradient descent, we propose inner and momentum optimization methods that are applied to refine the state vector progressively as test-time adaptation. Moreover, we simulate state vector aggregation in the multiple example setting, where demonstrations comprising numerous examples are usually too lengthy for regular ICL, and further propose a divide-and-conquer aggregation method to address this challenge. We conduct extensive experiments using Llama-2 and GPT-J in both zero-shot setting and few-shot setting. The experimental results show that our optimization method effectively enhances the state vector and achieves the state-of-the-art performance on diverse tasks.

Large vision-language models (LVLMs) are ignorant of the up-to-date knowledge, such as LLaVA series, because they cannot be updated frequently due to the large amount of resources required, and therefore fail in many cases. For example, if a LVLM was released on January 2024, and it wouldn't know the singer of the theme song for the new Detective Conan movie, which wasn't released until April 2024. To solve the problem, a promising solution motivated by retrieval-augmented generation (RAG) is to provide LVLMs with up-to-date knowledge via internet search during inference, i.e., internet-augmented generation (IAG), which is already integrated in some closed-source commercial LVLMs such as GPT-4V. However, the specific mechanics underpinning them remain a mystery. In this paper, we propose a plug-and-play framework, for augmenting existing LVLMs in handling visual question answering (VQA) about up-to-date knowledge, dubbed SearchLVLMs. A hierarchical filtering model is trained to effectively and efficiently find the most helpful content from the websites returned by a search engine to prompt LVLMs with up-to-date knowledge. To train the model and evaluate our framework's performance, we propose a pipeline to automatically generate news-related VQA samples to construct a dataset, dubbed UDK-VQA. A multi-model voting mechanism is introduced to label the usefulness of website/content for VQA samples to construct the training set. Experimental results demonstrate the effectiveness of our framework, outperforming GPT-4o by $\sim$30\% in accuracy.

We study the problem of retrieving accurate correspondence through multi-scale consistency (MSC) for robust point cloud registration. Existing works in a coarse-to-fine manner either suffer from severe noisy correspondences caused by unreliable coarse matching or struggle to form outlier-free coarse-level correspondence sets. To tackle this, we present Hierarchical Sinkhorn Tree (HST), a pruned tree structure designed to hierarchically measure the local consistency of each coarse correspondence across multiple feature scales, thereby filtering out the local dissimilar ones. In this way, we convert the modeling of MSC for each correspondence into a BFS traversal with pruning of a K-ary tree rooted at the superpoint, with its K nearest neighbors in the feature pyramid serving as child nodes. To achieve efficient pruning and accurate vicinity characterization, we further propose a novel overlap-aware Sinkhorn Distance, which retains only the most likely overlapping points for local measurement and next level exploration. The modeling process essentially involves traversing a pair of HSTs synchronously and aggregating the consistency measures of corresponding tree nodes. Extensive experiments demonstrate HST consistently outperforms the state-of-the-art methods on both indoor and outdoor benchmarks.

In Natural Language Processing (NLP), the Elo rating system, originally designed for ranking players in dynamic games such as chess, is increasingly being used to evaluate Large Language Models (LLMs) through "A vs B" paired comparisons.However, while popular, the system's suitability for assessing entities with constant skill levels, such as LLMs, remains relatively unexplored. We study two fundamental axioms that evaluation methods should adhere to: reliability and transitivity. We conduct an extensive evaluation of Elo behavior across simulated and real-world scenarios, demonstrating that individual Elo computations can exhibit significant volatility.We show that both axioms are not always satisfied, raising questions about the reliability of current comparative evaluations of LLMs.If the current use of Elo scores is intended to substitute the costly head-to-head comparison of LLMs, it is crucial to ensure the ranking is as robust as possible.Guided by the axioms, our findings offer concrete guidelines for enhancing the reliability of LLM evaluation methods, suggesting a need for reassessment of existing comparative approaches.

This work explores the challenging problem of molecule design by framing it as a conditional generative modeling task, where target biological properties or desired chemical constraints serve as conditioning variables.We propose the Latent Prompt Transformer (LPT), a novel generative model comprising three components: (1) a latent vector with a learnable prior distribution modeled by a neural transformation of Gaussian white noise; (2) a molecule generation model based on a causal Transformer, which uses the latent vector as a prompt; and (3) a property prediction model that predicts a molecule's target properties and/or constraint values using the latent prompt. LPT can be learned by maximum likelihood estimation on molecule-property pairs. During property optimization, the latent prompt is inferred from target properties and constraints through posterior sampling and then used to guide the autoregressive molecule generation.After initial training on existing molecules and their properties, we adopt an online learning algorithm to progressively shift the model distribution towards regions that support desired target properties. Experiments demonstrate that LPT not only effectively discovers useful molecules across single-objective, multi-objective, and structure-constrained optimization tasks, but also exhibits strong sample efficiency.

Large language models (LLMs) for code are typically trained to align with natural language instructions to closely follow their intentions and requirements. However, in many practical scenarios, it becomes increasingly challenging for these models to navigate the intricate boundary between helpfulness and safety, especially against highly complex yet potentially malicious instructions. In this work, we introduce INDICT: a new framework that empowers LLMs with Internal Dialogues of Critiques for both safety and helpfulness guidance. The internal dialogue is a dual cooperative system between a safety-driven critic and a helpfulness-driven critic. Each critic provides analysis against the given task and corresponding generated response, equipped with external knowledge queried through relevant code snippets and tools like web search and code interpreter. We engage the dual critic system in both code generation stage as well as code execution stage, providing preemptive and post-hoc guidance respectively to LLMs. We evaluated INDICT on 8 diverse tasks across 8 programming languages from 5 benchmarks, using LLMs from 7B to 70B parameters. We observed that our approach can provide an advanced level of critiques of both safety and helpfulness analysis, significantly improving the quality of output codes (+10% absolute improvements in all models).

We consider the challenge of mitigating the generation of negative or toxic content by the Large Language Models (LLMs) in response to certain prompts. We propose integrating risk-averse principles into LLM fine-tuning to minimize the occurrence of harmful outputs, particularly rare but significant events. By optimizing the risk measure of Conditional Value at Risk (CVaR), our methodology trains LLMs to exhibit superior performance in avoiding toxic outputs while maintaining effectiveness in generative tasks. Empirical evaluations on sentiment modification and toxicity mitigation tasks demonstrate the efficacy of risk-averse reinforcement learning with human feedback (RLHF) in promoting a safer and more constructive online discourse environment.

Multi-relational temporal graphs are powerful tools for modeling real-world data, capturing the evolving and interconnected nature of entities over time. Recently, many novel models are proposed for ML on such graphs intensifying the need for robust evaluation and standardized benchmark datasets. However, the availability of such resources remains scarce and evaluation faces added complexity due to reproducibility issues in experimental protocols. To address these challenges, we introduce Temporal Graph Benchmark 2.0 (TGB 2.0), a novel benchmarking framework tailored for evaluating methods for predicting future links on Temporal Knowledge Graphs and Temporal Heterogeneous Graphs with a focus on large-scale datasets, extending the Temporal Graph Benchmark. TGB 2.0 facilitates comprehensive evaluations by presenting eight novel datasets spanning five domains with up to 53 million edges. TGB 2.0 datasets are significantly larger than existing datasets in terms of number of nodes, edges, or timestamps. In addition, TGB 2.0 provides a reproducible and realistic evaluation pipeline for multi-relational temporal graphs. Through extensive experimentation, we observe that 1) leveraging edge-type information is crucial to obtain high performance, 2) simple heuristic baselines are often competitive with more complex methods, 3) most methods fail to run on our largest datasets, highlighting the need for research on more scalable methods.

Despite significant advancements in text generation and reasoning, Large Language Models (LLMs) still face challenges in accurately performing complex arithmetic operations. Language model systems often enable LLMs to generate code for arithmetic operations to achieve accurate calculations. However, this approach compromises speed and security, and fine-tuning risks the language model losing prior capabilities. We propose a framework that enables exact arithmetic in *a single autoregressive step*, providing faster, more secure, and more interpretable LLM systems with arithmetic capabilities. We use the hidden states of a LLM to control a symbolic architecture that performs arithmetic. Our implementation using Llama 3 with OccamNet as a symbolic model (OccamLlama) achieves 100\% accuracy on single arithmetic operations ($+,-,\times,\div,\sin{},\cos{},\log{},\exp{},\sqrt{}$), outperforming GPT 4o with and without a code interpreter. Furthermore, OccamLlama outperforms GPT 4o with and without a code interpreter on average across a range of mathematical problem solving benchmarks, demonstrating that OccamLLMs can excel in arithmetic tasks, even surpassing much larger models. Code is available at https://github.com/druidowm/OccamLLM.

Large language models (LLMs) have demonstrated impressive capabilities in various reasoning tasks, aided by techniques like chain-of-thought prompting that elicits verbalized reasoning. However, LLMs often generate text with obvious mistakes and contradictions, raising doubts about their ability to robustly process and utilize generated rationales. In this work, we investigate reasoning in LLMs through the lens of internal representations, focusing on how these representations are influenced by generated rationales. Our preliminary analysis reveals that while generated rationales improve answer accuracy, inconsistencies emerge between the model’s internal representations in middle layers and those in final layers, potentially undermining the reliability of their reasoning processes. To address this, we propose internal consistency as a measure of the model’s confidence by examining the agreement of latent predictions decoded from intermediate layers. Extensive empirical studies across different models and datasets demonstrate that internal consistency effectively distinguishes between correct and incorrect reasoning paths. Motivated by this, we propose a new approach to calibrate reasoning by up-weighting reasoning paths with high internal consistency, resulting in a significant boost in reasoning performance. Further analysis uncovers distinct patterns in attention and feed-forward modules across layers, providing insights into the emergence of internal inconsistency. In summary, our results demonstrate the potential of using internal representations for self-evaluation of LLMs. Our code is available at github.com/zhxieml/internal-consistency.

Program synthesis with language models (LMs) has unlocked a large set of reasoning abilities; code-tuned LMs have proven adept at generating programs that solve a wide variety of algorithmic symbolic manipulation tasks (e.g. word concatenation). However, not all reasoning tasks are easily expressible as code, e.g. tasks involving commonsense reasoning, moral decision-making, and sarcasm understanding. Our goal is to extend a LM’s program synthesis skills to such tasks and evaluate the results via pseudo-programs, namely Python programs where some leaf function calls are left undefined. To that end, we propose, Code Generation and Emulated EXecution (COGEX). COGEX works by (1) training LMs to generate pseudo-programs and (2) teaching them to emulate their generated program’s execution, including those leaf functions, allowing the LM’s knowledge to fill in the execution gaps; and (3) using them to search over many programs to find an optimal one. To adapt the COGEX model to a new task, we introduce a method for performing program search to find a single program whose pseudo-execution yields optimal performance when applied to all the instances of a given dataset. We show that our approach yields large improvements compared to standard in-context learning approaches on a battery of tasks, both algorithmic and soft reasoning. This result thus demonstrates that code synthesis can be applied to a much broader class of problems than previously considered.

Task planning in language agents is emerging as an important research topic alongside the development of large language models (LLMs). It aims to break down complex user requests in natural language into solvable sub-tasks, thereby fulfilling the original requests. In this context, the sub-tasks can be naturally viewed as a graph, where the nodes represent the sub-tasks, and the edges denote the dependencies among them. Consequently, task planning is a decision-making problem that involves selecting a connected path or subgraph within the corresponding graph and invoking it. In this paper, we explore graph learning-based methods for task planning, a direction that is orthogonal to the prevalent focus on prompt design. Our interest in graph learning stems from a theoretical discovery: the biases of attention and auto-regressive loss impede LLMs' ability to effectively navigate decision-making on graphs, which is adeptly addressed by graph neural networks (GNNs). This theoretical insight led us to integrate GNNs with LLMs to enhance overall performance. Extensive experiments demonstrate that GNN-based methods surpass existing solutions even without training, and minimal training can further enhance their performance. The performance gain increases with a larger task graph size.

Large language models (LLMs) have shown increasing capability in problem-solving and decision-making, largely based on the step-by-step chain-of-thought reasoning processes. However, evaluating these reasoning abilities has become increasingly challenging. Existing outcome-based benchmarks are beginning to saturate, becoming less effective in tracking meaningful progress. To address this, we present a process-based benchmark MR-Ben that demands a meta-reasoning skill, where LMs are asked to locate and analyse potential errors in automatically generated reasoning steps. Our meta-reasoning paradigm is especially suited for system-2 slow thinking, mirroring the human cognitive process of carefully examining assumptions, conditions, calculations, and logic to identify mistakes. MR-Ben comprises 5,975 questions curated by human experts across a wide range of subjects, including physics, chemistry, logic, coding, and more. Through our designed metrics for assessing meta-reasoning on this benchmark, we identify interesting limitations and weaknesses of current LLMs (open-source and closed-source models). For example, with models like the o1 series from OpenAI demonstrating strong performance by effectively scrutinizing the solution space, many other state-of-the-art models fall significantly behind on MR-Ben, exposing potential shortcomings in their training strategies and inference methodologies.

Can Transformers predict new syllogisms by composing established ones? More generally, what type of targets can be learned by such models from scratch? Recent works show that Transformers can be Turing-complete in terms of expressivity, but this does not address the learnability objective. This paper puts forward the notion of 'globality degree' of a target distribution to capture when weak learning is efficiently achievable by regular Transformers. This measure shows a contrast with the expressivity results of Transformers captured by $TC^0/TC^1$ classes (further studied here), since the globality relates to correlations with the more limited $NC^0$ class. We show here experimentally and theoretically under additional assumptions that distributions with high globality cannot be learned efficiently. In particular, syllogisms cannot be composed on long chains. Further, we develop scratchpad techniques and show that: (i) agnostic scratchpads cannot break the globality barrier, (ii) educated scratchpads can break the globality with intermediate steps, although not all such scratchpads can generalize out-of-distribution (OOD), (iii) a notion of 'inductive scratchpad', that composes the prior information more efficiently, can both break the globality barrier and improve the OOD generalization. In particular, some of our inductive scratchpads can achieve length generalizations of up to $6\times$ for some arithmetic tasks depending on the input formatting.

The recent development of chain-of-thought (CoT) decoding has enabled large language models (LLMs) to generate explicit logical reasoning paths for complex problem-solving. However, research indicates that these paths are not always deliberate and optimal. The tree-of-thought (ToT) method employs tree-searching to extensively explore the reasoning space and find better reasoning paths that CoT decoding might overlook. This deliberation, however, comes at the cost of significantly increased inference complexity. In this work, we demonstrate that fine-tuning LLMs leveraging the search tree constructed by ToT allows CoT to achieve similar or better performance, thereby avoiding the substantial inference burden. This is achieved through \emph{Chain of Preference Optimization} (CPO), where LLMs are fine-tuned to align each step of the CoT reasoning paths with those of ToT using the inherent preference information in the tree-search process. Extensive experimental results show that CPO significantly improves LLM performance in solving a variety of complex problems, including question answering, fact verification, and arithmetic reasoning, demonstrating its effectiveness. Our code is available at https://github.com/sail-sg/CPO.

The transformer architecture by Vaswani et al. (2017) is now ubiquitous across application domains, from natural language processing to speech processing and image understanding. We propose DenseFormer, a simple modification to the standard architecture that improves the perplexity of the model without increasing its size---adding a few thousand parameters for large-scale models in the 100B parameters range. Our approach relies on an additional averaging step after each transformer block, which computes a weighted average of current and past representations---we refer to this operation as Depth-Weighted-Average (DWA). The learned DWA weights exhibit coherent patterns of information flow, revealing the strong and structured reuse of activations from distant layers. Experiments demonstrate that DenseFormer is more data efficient, reaching the same perplexity of much deeper transformer models, and that for the same perplexity, these new models outperform transformer baselines in terms of memory efficiency and inference time.

We present Visual AutoRegressive modeling (VAR), a new generation paradigm that redefines the autoregressive learning on images as coarse-to-fine "next-scale prediction" or "next-resolution prediction", diverging from the standard raster-scan "next-token prediction". This simple, intuitive methodology allows autoregressive (AR) transformers to learn visual distributions fast and generalize well: VAR, for the first time, makes GPT-style AR models surpass diffusion transformers in image generation. On ImageNet 256x256 benchmark, VAR significantly improve AR baseline by improving Frechet inception distance (FID) from 18.65 to 1.73, inception score (IS) from 80.4 to 350.2, with around 20x faster inference speed. It is also empirically verified that VAR outperforms the Diffusion Transformer (DiT) in multiple dimensions including image quality, inference speed, data efficiency, and scalability. Scaling up VAR models exhibits clear power-law scaling laws similar to those observed in LLMs, with linear correlation coefficients near -0.998 as solid evidence. VAR further showcases zero-shot generalization ability in downstream tasks including image in-painting, out-painting, and editing. These results suggest VAR has initially emulated the two important properties of LLMs: Scaling Laws and zero-shot task generalization. We have released all models and codes to promote the exploration of AR/VAR models for visual generation and unified learning.

The ability to invent novel and interesting problems is a remarkable feature of human intelligence that drives innovation, art, and science. We propose a method that aims to automate this process by harnessing the power of state-of-the-art generative models to produce a diversity of challenging yet solvable problems, here in the context of Python programming puzzles. Inspired by the intrinsically motivated literature, Autotelic CodE Search (ACES) jointly optimizes for the diversity and difficulty of generated problems. We represent problems in a space of LLM-generated semantic descriptors describing the programming skills required to solve them (e.g. string manipulation, dynamic programming, etc.) and measure their difficulty empirically as a linearly decreasing function of the success rate of \textit{Llama-3-70B}, a state-of-the-art LLM problem solver. ACES iteratively prompts a large language model to generate difficult problems achieving a diversity of target semantic descriptors (goal-directed exploration) using previously generated problems as in-context examples. ACES generates problems that are more diverse and more challenging than problems produced by baseline methods and three times more challenging than problems found in existing Python programming benchmarks on average across 11 state-of-the-art code LLMs.

Mixture of Experts (MoE) framework has become a popular architecture for large language models due to its superior performance compared to dense models. However, training MoEs from scratch in a large-scale regime is prohibitively expensive. Previous work addresses this challenge by independently training multiple dense expert models and using them to initialize an MoE. In particular, state-of-the-art approaches initialize MoE layers using experts' feed-forward parameters while merging all other parameters, limiting the advantages of the specialized dense models when upcycling them as MoEs. We propose BAM (Branch-Attend-Mix), a simple yet effective improvement to MoE training. BAM makes full use of specialized dense models by not only using their feed-forward network (FFN) to initialize the MoE layers but also leveraging experts' attention weights fully by leveraging them as mixture-of-attention (MoA) layers. We explore two methods for upcycling MoA layers: 1) initializing separate attention experts from dense models including key, value, and query matrices; and 2) initializing only Q projections while sharing key-value pairs across all experts to facilitate efficient inference. Our experiments using seed models ranging from 590 million to 2 billion parameters show that our approach outperforms state-of-the-art approaches under the same data and compute budget in both perplexity and downstream tasks evaluations, confirming the effectiveness of BAM.

Given the ubiquity of graph data and its applications in diverse domains, building a Graph Foundation Model (GFM) that can work well across different graphs and tasks with a unified backbone has recently garnered significant interests. A major obstacle to achieving this goal stems from the fact that graphs from different domains often exhibit diverse node features. Inspired by multi-modal models that align different modalities with natural language, the text has recently been adopted to provide a unified feature space for diverse graphs. Despite the great potential of these text-space GFMs, current research in this field is hampered by two problems. First, the absence of a comprehensive benchmark with unified problem settings hinders a clear understanding of the comparative effectiveness and practical value of different text-space GFMs. Second, there is a lack of sufficient datasets to thoroughly explore the methods' full potential and verify their effectiveness across diverse settings. To address these issues, we conduct a comprehensive benchmark providing novel text-space datasets and comprehensive evaluation under unified problem settings. Empirical results provide new insights and inspire future research directions. Our code and data are publicly available from https://github.com/CurryTang/TSGFM.

Artificial general intelligence on graphs has shown significant advancements across various applications, yet the traditional `Pre-train \& Fine-tune' paradigm faces inefficiencies and negative transfer issues, particularly in complex and few-shot settings. Graph prompt learning emerges as a promising alternative, leveraging lightweight prompts to manipulate data and fill the task gap by reformulating downstream tasks to the pretext. However, several critical challenges still remain: how to unify diverse graph prompt models, how to evaluate the quality of graph prompts, and to improve their usability for practical comparisons and selection. In response to these challenges, we introduce the first comprehensive benchmark for graph prompt learning. Our benchmark integrates SIX pre-training methods and FIVE state-of-the-art graph prompt techniques, evaluated across FIFTEEN diverse datasets to assess performance, flexibility, and efficiency. We also present 'ProG', an easy-to-use open-source library that streamlines the execution of various graph prompt models, facilitating objective evaluations. Additionally, we propose a unified framework that categorizes existing graph prompt methods into two main approaches: prompts as graphs and prompts as tokens. This framework enhances the applicability and comparison of graph prompt techniques. The code is available at: https://github.com/sheldonresearch/ProG.

Graph Neural Networks (GNNs) have shown great performance in various tasks, with the core idea of learning from data labels and aggregating messages within the neighborhood of nodes. However, the common challenges in graphs are twofold: insufficient accurate (high-quality) labels and limited neighbors for nodes, resulting in weak GNNs. Existing graph augmentation methods typically address only one of these challenges, often adding training costs or relying on oversimplified or knowledge-intensive strategies, limiting their generalization.To simultaneously address both challenges faced by graphs in a generalized way, we propose an elegant method called IntraMix. Considering the incompatibility of vanilla Mixup with the complex topology of graphs, IntraMix innovatively employs Mixup among inaccurate labeled data of the same class, generating high-quality labeled data at minimal cost. Additionally, it finds data with high confidence of being clustered into the same group as the generated data to serve as their neighbors, thereby enriching the neighborhoods of graphs. IntraMix efficiently tackles both issues faced by graphs and challenges the prior notion of the limited effectiveness of Mixup in node classification. IntraMix is a theoretically grounded plug-in-play method that can be readily applied to all GNNs. Extensive experiments demonstrate the effectiveness of IntraMix across various GNNs and datasets. Our code is available at: https://github.com/Zhengsh123/IntraMix.

Text-Attributed Graphs (TAGs) augment graph structures with natural language descriptions, facilitating detailed depictions of data and their interconnections across various real-world settings. However, existing TAG datasets predominantly feature textual information only at the nodes, with edges typically represented by mere binary or categorical attributes. This lack of rich textual edge annotations significantly limits the exploration of contextual relationships between entities, hindering deeper insights into graph-structured data. To address this gap, we introduce Textual-Edge Graphs Datasets and Benchmark (TEG-DB), a comprehensive and diverse collection of benchmark textual-edge datasets featuring rich textual descriptions on nodes and edges. The TEG-DB datasets are large-scale and encompass a wide range of domains, from citation networks to social networks. In addition, we conduct extensive benchmark experiments on TEG-DB to assess the extent to which current techniques, including pre-trained language models, graph neural networks, and their combinations, can utilize textual node and edge information. Our goal is to elicit advancements in textual-edge graph research, specifically in developing methodologies that exploit rich textual node and edge descriptions to enhance graph analysis and provide deeper insights into complex real-world networks. The entire TEG-DB project is publicly accessible as an open-source repository on Github, accessible at https://github.com/Zhuofeng-Li/TEG-Benchmark.

Heterophily, or the tendency of connected nodes in networks to have different class labels or dissimilar features, has been identified as challenging for many Graph Neural Network (GNN) models. While the challenges of applying GNNs for node classification when class labels display strong heterophily are well understood, it is unclear how heterophily affects GNN performance in other important graph learning tasks where class labels are not available. In this work, we focus on the link prediction task and systematically analyze the impact of heterophily in node features on GNN performance. We first introduce formal definitions of homophilic and heterophilic link prediction tasks, and present a theoretical framework that highlights the different optimizations needed for the respective tasks. We then analyze how different link prediction encoders and decoders adapt to varying levels of feature homophily and introduce designs for improved performance. Based on our definitions, we identify and analyze six real-world benchmarks spanning from homophilic to heterophilic link prediction settings, with graphs containing up to 30M edges. Our empirical analysis on a variety of synthetic and real-world datasets confirms our theoretical insights and highlights the importance of adopting learnable decoders and GNN encoders with ego- and neighbor-embedding separation in message passing for link prediction tasks beyond homophily.

The modern study and use of surfaces is a research topic grounded in centuries of mathematical and empirical inquiry. From a mathematical point of view, curvature is an invariant that characterises the intrinsic geometry and the extrinsic shape of a surface. Yet, in modern applications the focus has shifted away from finding expressive representations of surfaces, and towards the design of efficient neural network architectures to process them. The literature suggests a tendency to either overlook the representation of the processed surface, or use overcomplicated representations whose ability to capture the essential features of a surface is opaque. We propose using curvature as the input of neural network architectures for surface processing, and explore this proposition through experiments making use of the shape operator. Our results show that using curvature as input leads to significant a increase in performance on segmentation and classification tasks, while allowing far less computational overhead than current methods.

Signed graphs can model friendly or antagonistic relations where edges are annotated with a positive or negative sign. The main downstream task in signed graph analysis is $\textit{link sign prediction}$. Signed Graph Neural Networks (SGNNs) have been widely used for signed graph representation learning. While significant progress has been made in SGNNs research, two issues (i.e., graph sparsity and unbalanced triangles) persist in the current SGNN models. We aim to alleviate these issues through data augmentation ($\textit{DA}$) techniques which have demonstrated effectiveness in improving the performance of graph neural networks. However, most graph augmentation methods are primarily aimed at graph-level and node-level tasks (e.g., graph classification and node classification) and cannot be directly applied to signed graphs due to the lack of side information (e.g., node features and label information) in available real-world signed graph datasets. Random $\textit{DropEdge} $is one of the few $\textit{DA}$ methods that can be directly used for signed graph data augmentation, but its effectiveness is still unknown. In this paper, we first provide the generalization bound for the SGNN model and demonstrate from both experimental and theoretical perspectives that the random $\textit{DropEdge}$ cannot improve the performance of link sign prediction. Therefore, we propose a novel signed graph augmentation method, $\underline{S}$igned $\underline{G}$raph $\underline{A}$ugmentation framework (SGA). Specifically, SGA first integrates a structure augmentation module to detect candidate edges solely based on network information. Furthermore, SGA incorporates a novel strategy to select beneficial candidates. Finally, SGA introduces a novel data augmentation perspective to enhance the training process of SGNNs. Experiment results on six real-world datasets demonstrate that SGA effectively boosts the performance of diverse SGNN models, achieving improvements of up to 32.3\% in F1-micro for SGCN on the Slashdot dataset in the link sign prediction task.

Several recent works have shown that extending the message passing paradigm to subgraphs communicating with other subgraphs, especially via higher order messages, can boost the expressivity of graph neural networks. In such architectures, to faithfully account for local structure such as cycles, the local operations must be equivariant to the automorphism group of the local environment. However, enumerating the automorphism groups of all subgraphs of interest and finding appropriate equivariant operations for each one of them separately is generally not feasible. In this paper we propose a solution to this problem based on spectral graph theory that bypasses having to determine the automorphism group entirely and constructs a basis for equivariant operations directly from the graph Laplacian. We show that empirically this approach can boost the performance of GNNs.

Personalized Federated Graph Learning (pFGL) facilitates the decentralized training of Graph Neural Networks (GNNs) without compromising privacy while accommodating personalized requirements for non-IID participants. In cross-domain scenarios, structural heterogeneity poses significant challenges for pFGL. Nevertheless, previous pFGL methods incorrectly share non-generic knowledge globally and fail to tailor personalized solutions locally under domain structural shift. We innovatively reveal that the spectral nature of graphs can well reflect inherent domain structural shifts. Correspondingly, our method overcomes it by sharing generic spectral knowledge. Moreover, we indicate the biased message-passing schemes for graph structures and propose the personalized preference module. Combining both strategies, we propose our pFGL framework $\textbf{FedSSP}$ which $\textbf{S}$hares generic $\textbf{S}$pectral knowledge while satisfying graph $\textbf{P}$references. Furthermore, We perform extensive experiments on cross-dataset and cross-domain settings to demonstrate the superiority of our framework. The code is available at https://github.com/OakleyTan/FedSSP.

We study learning-based approaches to semantic route planning, which concerns producing routes in response to rich queries that specify various criteria and preferences. Semantic routing is already widely found in industry applications, especially navigational services like Google Maps; however, existing implementations only support limited route criteria and narrow query sets as they rely on repurposing classical route optimization algorithms. We argue for a learning-based approach to semantic routing as a more scalable and general alternative. To foster interest in this important application of graph learning, we are releasing a large-scale publicly-licensed benchmark for semantic routing consisting of real-world multi-objective navigation problems---expressed via natural language queries---on the richly annotated road networks of US cities. In addition to being intractable with existing approaches to semantic routing, our benchmark poses a significant scaling challenge for graph learning methods. As a proof-of-concept, we show that---at scale---even a standard transformer network is a powerful semantic routing system and achieves non-trivial performance on our benchmark. In the process, we demonstrate a simple solution to the challenge of scaling up graph learning: an autoregressive approach that decomposes semantic routing into smaller ``next-edge'' prediction problems.

Message-passing graph neural networks (MPNNs) have emerged as a powerful paradigm for graph-based machine learning. Despite their effectiveness, MPNNs face challenges such as under-reaching and over-squashing, where limited receptive fields and structural bottlenecks hinder information flow in the graph. While graph transformers hold promise in addressing these issues, their scalability is limited due to quadratic complexity regarding the number of nodes, rendering them impractical for larger graphs. Here, we propose implicitly rewired message-passing neural networks (IPR-MPNNs), a novel approach that integrates implicit probabilistic graph rewiring into MPNNs. By introducing a small number of virtual nodes, i.e., adding additional nodes to a given graph and connecting them to existing nodes, in a differentiable, end-to-end manner, IPR-MPNNs enable long-distance message propagation, circumventing quadratic complexity. Theoretically, we demonstrate that IPR-MPNNs surpass the expressiveness of traditional MPNNs. Empirically, we validate our approach by showcasing its ability to mitigate under-reaching and over-squashing effects, achieving state-of-the-art performance across multiple graph datasets. Notably, IPR-MPNNs outperform graph transformers while maintaining significantly faster computational efficiency.

Despite the remarkable capabilities demonstrated by Graph Neural Networks (GNNs) in graph-related tasks, recent research has revealed the fairness vulnerabilities in GNNs when facing malicious adversarial attacks. However, all existing fairness attacks require manipulating the connectivity between existing nodes, which may be prohibited in reality. To this end, we introduce a Node Injection-based Fairness Attack (NIFA), exploring the vulnerabilities of GNN fairness in such a more realistic setting. In detail, NIFA first designs two insightful principles for node injection operations, namely the uncertainty-maximization principle and homophily-increase principle, and then optimizes injected nodes’ feature matrix to further ensure the effectiveness of fairness attacks. Comprehensive experiments on three real-world datasets consistently demonstrate that NIFA can significantly undermine the fairness of mainstream GNNs, even including fairness-aware GNNs, by injecting merely 1% of nodes. We sincerely hope that our work can stimulate increasing attention from researchers on the vulnerability of GNN fairness, and encourage the development of corresponding defense mechanisms. Our code and data are released at: https://github.com/CGCL-codes/NIFA.

To obtain state-of-the-art performance, many deeper artificial intelligence models sacrifice human explainability in their decision-making. One solution proposed for achieving top performance and retaining explainability is the Post-Hoc Concept Bottleneck Model (PCBM) (Yuksekgonul et al., 2023), which can convert the embeddings of any deep neural network into a set of human-interpretable concept weights. In this work, we reproduce and expand upon the findings of Yuksekgonul et al. (2023). Our results show that while most of the authors’ claims and results hold, some of the results they obtained could not be sufficiently replicated. Specifically, the claims relating to PCBM performance preservation and its non-requirement of labeled concept datasets were generally reproduced, whereas the one claiming its model editing capabilities was not. Beyond these results, our contributions to their work include evidence that PCBMs may work for audio classification problems, verification of the interpretability of their methods, and updates to their code for missing implementations. The code for our implementations can be found at https://github.com/dgcnz/FACT.

Detecting and handling misspecified objectives, such as reward functions, has been widely recognized as one of the central challenges within the domain of Artificial Intelligence (AI) safety research. However, even with the recognition of the importance of this problem, we are unaware of any works that attempt to provide a clear definition for what constitutes (a) misspecified objectives and (b) successfully resolving such misspecifications. In this work, we use the theory of mind, i.e., the human user's beliefs about the AI agent, as a basis to develop a formal explanatory framework, called Expectation Alignment (EAL), to understand the objective misspecification and its causes.Our EAL framework not only acts as an explanatory framework for existing works but also provides us with concrete insights into the limitations of existing methods to handle reward misspecification and novel solution strategies. We use these insights to propose a new interactive algorithm that uses the specified reward to infer potential user expectations about the system behavior. We show how one can efficiently implement this algorithm by mapping the inference problem into linear programs. We evaluate our method on a set of standard Markov Decision Process (MDP) benchmarks.

We present PiMForce, a novel framework that enhances hand pressure estimation by leveraging 3D hand posture information to augment forearm surface electromyography (sEMG) signals. Our approach utilizes detailed spatial information from 3D hand poses in conjunction with dynamic muscle activity from sEMG to enable accurate and robust whole-hand pressure measurements under diverse hand-object interactions. We also developed a multimodal data collection system that combines a pressure glove, an sEMG armband, and a markerless finger-tracking module. We created a comprehensive dataset from 21 participants, capturing synchronized data of hand posture, sEMG signals, and exerted hand pressure across various hand postures and hand-object interaction scenarios using our collection system. Our framework enables precise hand pressure estimation in complex and natural interaction scenarios. Our approach substantially mitigates the limitations of traditional sEMG-based or vision-based methods by integrating 3D hand posture information with sEMG signals.Video demos, data, and code are available online.

In human-AI collaborative tasks, the distribution of human behavior, influenced by mental models, is non-stationary, manifesting in various levels of initiative and different collaborative strategies. A significant challenge in human-AI collaboration is determining how to collaborate effectively with humans exhibiting non-stationary dynamics. Current collaborative agents involve initially running self-play (SP) multiple times to build a policy pool, followed by training the final adaptive policy against this pool. These agents themselves are a single policy network, which is $\textbf{insufficient for handling non-stationary human dynamics}$. We discern that despite the inherent diversity in human behaviors, the $\textbf{underlying meta-tasks within specific collaborative contexts tend to be strikingly similar}$. Accordingly, we propose a $\textbf{C}$ollaborative $\textbf{B}$ayesian $\textbf{P}$olicy $\textbf{R}$euse ($\textbf{CBPR}$), a novel Bayesian-based framework that $\textbf{adaptively selects optimal collaborative policies matching the current meta-task from multiple policy networks}$ instead of just selecting actions relying on a single policy network. We provide theoretical guarantees for CBPR's rapid convergence to the optimal policy once human partners alter their policies. This framework shifts from directly modeling human behavior to identifying various meta-tasks that support human decision-making and training meta-task playing (MTP) agents tailored to enhance collaboration. Our method undergoes rigorous testing in a well-recognized collaborative cooking simulator, $\textit{Overcooked}$. Both empirical results and user studies demonstrate CBPR's superior competitiveness compared to existing baselines.

Graph Anomaly Detection (GAD) aims to identify uncommon, deviated, or suspicious objects within graph-structured data. Existing methods generally focus on a single graph object type (node, edge, graph, etc.) and often overlook the inherent connections among different object types of graph anomalies. For instance, a money laundering transaction might involve an abnormal account and the broader community it interacts with. To address this, we present UniGAD, the first unified framework for detecting anomalies at node, edge, and graph levels jointly. Specifically, we develop the Maximum Rayleigh Quotient Subgraph Sampler (MRQSampler) that unifies multi-level formats by transferring objects at each level into graph-level tasks on subgraphs. We theoretically prove that MRQSampler maximizes the accumulated spectral energy of subgraphs (i.e., the Rayleigh quotient) to preserve the most significant anomaly information. To further unify multi-level training, we introduce a novel GraphStitch Network to integrate information across different levels, adjust the amount of sharing required at each level, and harmonize conflicting training goals. Comprehensive experiments show that UniGAD outperforms both existing GAD methods specialized for a single task and graph prompt-based approaches for multiple tasks, while also providing robust zero-shot task transferability.

In many applications, we desire neural networks to exhibit invariance or equivariance to certain groups due to symmetries inherent in the data. Recently, frame-averaging methods emerged to be a unified framework for attaining symmetries efficiently by averaging over input-dependent subsets of the group, i.e., frames. What we currently lack is a principled understanding of the design of frames. In this work, we introduce a canonicalization perspective that provides an essential and complete view of the design of frames. Canonicalization is a classic approach for attaining invariance by mapping inputs to their canonical forms. We show that there exists an inherent connection between frames and canonical forms. Leveraging this connection, we can efficiently compare the complexity of frames as well as determine the optimality of certain frames. Guided by this principle, we design novel frames for eigenvectors that are strictly superior to existing methods --- some are even optimal --- both theoretically and empirically. The reduction to the canonicalization perspective further uncovers equivalences between previous methods. These observations suggest that canonicalization provides a fundamental understanding of existing frame-averaging methods and unifies existing equivariant and invariant learning methods. Code is available at https://github.com/PKU-ML/canonicalization.

Pre-trained large language models (LLMs) based on Transformer have demonstrated striking in-context learning (ICL) abilities. With a few demonstration input-label pairs, they can predict the label for an unseen input without any parameter updates. In this paper, we show an exciting phenomenon that SVD-based weight pruning can enhance ICL performance, and more surprising, pruning weights in deep layers often results in more stable performance improvements than in shallow layers. However, the underlying mechanism of those findings still remains an open question. To reveal those findings, we conduct an in-depth theoretical analysis by presenting the implicit gradient descent (GD) trajectories of ICL and giving the mutual information based generalization bounds of ICL via full implicit GD trajectories. This helps us reasonably explain the surprising experimental findings. Besides, based on all our experimental and theoretical insights, we intuitively propose a simple, model-compression and derivative-free algorithm for downstream tasks in enhancing ICL inference. Experiments on benchmark datasets and open source LLMs display the method effectiveness.

Zero-shot node classification is a vital task in the field of graph data processing, aiming to identify nodes of classes unseen during the training process. Prediction bias is one of the primary challenges in zero-shot node classification, referring to the model's propensity to misclassify nodes of unseen classes as seen classes. However, most methods introduce external knowledge to mitigate the bias, inadequately leveraging the inherent cluster information within the unlabeled nodes. To address this issue, we employ spectral analysis coupled with learnable class prototypes to discover the implicit cluster structures within the graph, providing a more comprehensive understanding of classes. In this paper, we propose a spectral approach for zero-shot node classification (SpeAr). Specifically, we establish an approximate relationship between minimizing the spectral contrastive loss and performing spectral decomposition on the graph, thereby enabling effective node characterization through loss minimization. Subsequently, the class prototypes are iteratively refined based on the learned node representations, initialized with the semantic vectors. Finally, extensive experiments verify the effectiveness of the SpeAr, which can further alleviate the bias problem.

Graph Neural Networks (GNNs) have emerged as a dominant approach in graph representation learning, yet they often struggle to capture consistent similarity relationships among graphs. To capture similarity relationships, while graph kernel methods like the Weisfeiler-Lehman subtree (WL-subtree) and Weisfeiler-Lehman optimal assignment (WLOA) perform effectively, they are heavily reliant on predefined kernels and lack sufficient non-linearities. Our work aims to bridge the gap between neural network methods and kernel approaches by enabling GNNs to consistently capture relational structures in their learned representations. Given the analogy between the message-passing process of GNNs and WL algorithms, we thoroughly compare and analyze the properties of WL-subtree and WLOA kernels. We find that the similarities captured by WLOA at different iterations are asymptotically consistent, ensuring that similar graphs remain similar in subsequent iterations, thereby leading to superior performance over the WL-subtree kernel. Inspired by these findings, we conjecture that the consistency in the similarities of graph representations across GNN layers is crucial in capturing relational structures and enhancing graph classification performance. Thus, we propose a loss to enforce the similarity of graph representations to be consistent across different layers. Our empirical analysis verifies our conjecture and shows that our proposed consistency loss can significantly enhance graph classification performance across several GNN backbones on various datasets.

Processing multidomain data defined on multiple graphs holds significant potential in various practical applications in computer science. However, current methods are mostly limited to discrete graph filtering operations. Tensorial partial differential equations on graphs (TPDEGs) provide a principled framework for modeling structured data across multiple interacting graphs, addressing the limitations of the existing discrete methodologies. In this paper, we introduce Continuous Product Graph Neural Networks (CITRUS) that emerge as a natural solution to the TPDEG. CITRUS leverages the separability of continuous heat kernels from Cartesian graph products to efficiently implement graph spectral decomposition. We conduct thorough theoretical analyses of the stability and over-smoothing properties of CITRUS in response to domain-specific graph perturbations and graph spectra effects on the performance. We evaluate CITRUS on well-known traffic and weather spatiotemporal forecasting datasets, demonstrating superior performance over existing approaches. The implementation codes are available at https://github.com/ArefEinizade2/CITRUS.

Contextual multinomial logit (MNL) bandits capture many real-world assortment recommendation problems such as online retailing/advertising. However, prior work has only considered (generalized) linear value functions, which greatly limits its applicability. Motivated by this fact, in this work, we consider contextual MNL bandits with a general value function class that contains the ground truth, borrowing ideas from a recent trend of studies on contextual bandits. Specifically, we consider both the stochastic and the adversarial settings, and propose a suite of algorithms, each with different computation-regret trade-off. When applied to the linear case, our results not only are the first ones with no dependence on a certain problem-dependent constant that can be exponentially large, but also enjoy other advantages such as computational efficiency, dimension-free regret bounds, or the ability to handle completely adversarial contexts and rewards.

Label Distribution Learning (LDL) has been extensively studied in IID data applications such as computer vision, thanks to its more generic setting over single-label and multi-label classification. This paper advances LDL into graph domains and aims to tackle a novel and fundamentalheterogeneous graph label distribution learning (HGDL) problem.We argue that the graph heterogeneity reflected on node types, node attributes, and neighborhood structures can impose significant challenges for generalizing LDL onto graphs. To address the challenges, we propose a new learning framework with two key components: 1) proactive graph topology homogenization, and 2) topology and content consistency-aware graph transformer. Specifically, the former learns optimal information aggregation between meta-paths, so that the nodeheterogeneity can be proactively addressed prior to the succeeding embedding learning; the latter leverages an attention mechanism to learn consistency between meta-path and node attributes, allowing network topology and nodal attributes to be equally emphasized during the label distribution learning. By using KL-divergence and additional constraints, \method~delivers an end-to-end solution for learning and predicting label distribution for nodes. Both theoretical and empirical studies substantiate the effectiveness of our HGDL approach.Our code and datasets are available at https://github.com/Listener-Watcher/HGDL.

Originally rooted in game theory, the Shapley Value (SV) has recently become an important tool in machine learning research. Perhaps most notably, it is used for feature attribution and data valuation in explainable artificial intelligence. Shapley Interactions (SIs) naturally extend the SV and address its limitations by assigning joint contributions to groups of entities, which enhance understanding of black box machine learning models. Due to the exponential complexity of computing SVs and SIs, various methods have been proposed that exploit structural assumptions or yield probabilistic estimates given limited resources. In this work, we introduce shapiq, an open-source Python package that unifies state-of-the-art algorithms to efficiently compute SVs and any-order SIs in an application-agnostic framework. Moreover, it includes a benchmarking suite containing 11 machine learning applications of SIs with pre-computed games and ground-truth values to systematically assess computational performance across domains. For practitioners, shapiq is able to explain and visualize any-order feature interactions in predictions of models, including vision transformers, language models, as well as XGBoost and LightGBM with TreeSHAP-IQ. With shapiq, we extend shap beyond feature attributions and consolidate the application of SVs and SIs in machine learning that facilitates future research. The source code and documentation is available at https://github.com/mmschlk/shapiq/tree/v1.

Many training data attribution (TDA) methods aim to estimate how a model's behavior would change if one or more data points were removed from the training set. Methods based on implicit differentiation, such as influence functions, can be made computationally efficient, but fail to account for underspecification, the implicit bias of the optimization algorithm, or multi-stage training pipelines. By contrast, methods based on unrolling address these issues but face scalability challenges. In this work, we connect the implicit-differentiation-based and unrolling-based approaches and combine their benefits by introducing Source, an approximate unrolling-based TDA method that is computed using an influence-function-like formula. While being computationally efficient compared to unrolling-based approaches, Source is suitable in cases where implicit-differentiation-based approaches struggle, such as in non-converged models and multi-stage training pipelines. Empirically, Source outperforms existing TDA techniques in counterfactual prediction, especially in settings where implicit-differentiation-based approaches fall short.

Mamba, a state-space model with selective mechanisms and hardware-aware architecture, has demonstrated outstanding performance in long sequence modeling tasks, particularly garnering widespread exploration and application in the field of computer vision. While existing works have mixed opinions of its application in visual tasks, the exploration of its internal workings and the optimization of its performance remain urgent and worthy research questions given its status as a novel model. Existing optimizations of the Mamba model, especially when applied in the visual domain, have primarily relied on predefined methods such as improving scanning mechanisms or integrating other architectures, often requiring strong priors and extensive trial and error. In contrast to these approaches, this paper proposes the Vision Mamba Mender, a systematic approach for understanding the workings of Mamba, identifying flaws within, and subsequently optimizing model performance. Specifically, we present methods for predictive correlation analysis of Mamba's hidden states from both internal and external perspectives, along with corresponding definitions of correlation scores, aimed at understanding the workings of Mamba in visual recognition tasks and identifying flaws therein. Additionally, tailored repair methods are proposed for identified external and internal state flaws to eliminate them and optimize model performance. Extensive experiments validate the efficacy of the proposed methods on prevalent Mamba architectures, significantly enhancing Mamba's performance.

Counterfactual explanations provide ways of achieving a favorable model outcome with minimum input perturbation. However, counterfactual explanations can also be leveraged to reconstruct the model by strategically training a surrogate model to give similar predictions as the original (target) model. In this work, we analyze how model reconstruction using counterfactuals can be improved byfurther leveraging the fact that the counterfactuals also lie quite close to the decision boundary. Our main contribution is to derive novel theoretical relationships between the error in model reconstruction and the number of counterfactual queries required using polytope theory. Our theoretical analysis leads us to propose a strategy for model reconstruction that we call Counterfactual Clamping Attack (CCA) which trains a surrogate model using a unique loss function that treats counterfactuals differently than ordinary instances. Our approach also alleviates the related problem of decision boundary shift that arises in existing model reconstruction approaches when counterfactuals are treated as ordinary instances. Experimental results demonstrate that our strategy improves fidelity between the target and surrogate model predictions on several datasets.

Recent works have extended notions of feature importance to semantic concepts that are inherently interpretable to the users interacting with a black-box predictive model. Yet, precise statistical guarantees such as false positive rate and false discovery rate control are needed to communicate findings transparently, and to avoid unintended consequences in real-world scenarios. In this paper, we formalize the global (i.e., over a population) and local (i.e., for a sample) statistical importance of semantic concepts for the predictions of opaque models by means of conditional independence, which allows for rigorous testing. We use recent ideas of sequential kernelized independence testing to induce a rank of importance across concepts, and we showcase the effectiveness and flexibility of our framework on synthetic datasets as well as on image classification using several vision-language models.

The concept of probabilistic values, such as Beta Shapley values and weighted Banzhaf values, has gained recent attention in applications like feature attribution and data valuation. However, exact computation of these values is often exponentially expensive, necessitating approximation techniques. Prior research has shown that the choice of probabilistic values significantly impacts downstream performance, with no universally superior option. Consequently, one may have to approximate multiple candidates and select the best-performing one. Although there have been many efforts to develop efficient estimators, none are intended to approximate all probabilistic values both simultaneously and efficiently. In this work, we embark on the first exploration of achieving this goal. Adhering to the principle of maximum sample reuse and avoiding amplifying factors, we propose a one-sample-fits-all framework parameterized by a sampling vector to approximate intermediate terms that can be converted to any probabilistic value. Leveraging the concept of $ (\epsilon, \delta) $-approximation, we theoretically identify a key formula that effectively determines the convergence rate of our framework. By optimizing the sampling vector using this formula, we obtain i) a one-for-all estimator that achieves the currently best time complexity for all probabilistic values on average, and ii) a faster generic estimator with the sampling vector optimally tuned for each probabilistic value. Particularly, our one-for-all estimator achieves the fastest convergence rate on Beta Shapley values, including the well-known Shapley value, both theoretically and empirically. Finally, we establish a connection between probabilistic values and the least square regression used in (regularized) datamodels, showing that our one-for-all estimator can solve a family of datamodels simultaneously. Our code is available at https://github.com/watml/one-for-all.

Safety fine-tuning helps align Large Language Models (LLMs) with human preferences for their safe deployment. To better understand the underlying factors that make models safe via safety fine-tuning, we design a synthetic data generation framework that captures salient aspects of an unsafe input by modeling the interaction between the task the model is asked to perform (e.g., “design”) versus the specific concepts the task is asked to be performed upon (e.g., a “cycle” vs. a “bomb”). Using this, we investigate three well-known safety fine-tuning methods—supervised safety fine-tuning, direct preference optimization, and unlearning—and provide significant evidence demonstrating that these methods minimally transform MLP weights to specifically align unsafe inputs into its weights’ null space. This yields a clustering of inputs based on whether the model deems them safe or not. Correspondingly, when an adversarial input (e.g., a jailbreak) is provided, its activations are closer to safer samples, leading to the model processing such an input as if it were safe. Code is available at https://github.com/fiveai/understandingsafetyfinetuning.

Large multimodal models (LMMs) combine unimodal encoders and large language models (LLMs) to perform multimodal tasks. Despite recent advancements towards the interpretability of these models, understanding internal representations of LMMs remains largely a mystery. In this paper, we present a novel framework for the interpretation of LMMs. We propose a dictionary learning based approach, applied to the representation of tokens. The elements of the learned dictionary correspond to our proposed concepts. We show that these concepts are well semantically grounded in both vision and text. Thus we refer to these as ``multi-modal concepts''. We qualitatively and quantitatively evaluate the results of the learnt concepts. We show that the extracted multimodal concepts are useful to interpret representations of test samples. Finally, we evaluate the disentanglement between different concepts and the quality of grounding concepts visually and textually. Our implementation is publicly available: https://github.com/mshukor/xl-vlms.

High-level visual brain regions contain subareas in which neurons appear to respond more strongly to examples of a particular semantic category, like faces or bodies, rather than objects. However, recent work has shown that while this finding holds on average, some out-of-category stimuli also activate neurons in these regions. This may be due to visual features common among the preferred class also being present in other images. Here, we propose a deep-learning-based approach for visualizing these features. For each neuron, we identify relevant visual features driving its selectivity by modelling responses to images based on latent activations of a deep neural network. Given an out-of-category image which strongly activates the neuron, our method first identifies a reference image from the preferred category yielding a similar feature activation pattern. We then backpropagate latent activations of both images to the pixel level, while enhancing the identified shared dimensions and attenuating non-shared features. The procedure highlights image regions containing shared features driving responses of the model neuron. We apply the algorithm to novel recordings from body-selective regions in macaque IT cortex in order to understand why some images of objects excite these neurons. Visualizations reveal object parts which resemble parts of a macaque body, shedding light on neural preference of these objects.

Chain-of-Thought (CoT) reasoning is known to improve Large Language Models both empirically and in terms of theoretical approximation power.However, our understanding of the inner workings and conditions of apparition of CoT capabilities remains limited.This paper helps fill this gap by demonstrating how CoT reasoning emerges in transformers in a controlled and interpretable setting.In particular, we observe the appearance of a specialized attention mechanism dedicated to iterative reasoning, which we coined "iteration heads".We track both the emergence and the precise working of these iteration heads down to the attention level, and measure the transferability of the CoT skills to which they give rise between tasks.

Deep learning algorithms have recently gained significant attention due to their impressive performance. However, their high complexity and un-interpretable mode of operation hinders their confident deployment in real-world safety-critical tasks. This work targets ante hoc interpretability, and specifically Concept Bottleneck Models (CBMs). Our goal is to design a framework that admits a highly interpretable decision making process with respect to human understandable concepts, on two levels of granularity. To this end, we propose a novel two-level concept discovery formulation leveraging: (i) recent advances in vision-language models, and (ii) an innovative formulation for coarse-to-fine concept selection via data-driven and sparsity inducing Bayesian arguments. Within this framework, concept information does not solely rely on the similarity between the whole image and general unstructured concepts; instead, we introduce the notion of concept hierarchy to uncover and exploit more granular concept information residing in patch-specific regions of the image scene. As we experimentally show, the proposed construction not only outperforms recent CBM approaches, but also yields a principled framework towards interpetability.

The lack of transparency in the decision-making processes of deep learning systems presents a significant challenge in modern artificial intelligence (AI), as it impairs users’ ability to rely on and verify these systems. To address this challenge, Concept Bottleneck Models (CBMs) have made significant progress by incorporating human-interpretable concepts into deep learning architectures. This approach allows predictions to be traced back to specific concept patterns that users can understand and potentially intervene on. However, existing CBMs’ task predictors are not fully interpretable, preventing a thorough analysis and any form of formal verification of their decision-making process prior to deployment, thereby raising significant reliability concerns. To bridge this gap, we introduce Concept-based Memory Reasoner (CMR), a novel CBM designed to provide a human-understandable and provably-verifiable task prediction process. Our approach is to model each task prediction as a neural selection mechanism over a memory of learnable logic rules, followed by a symbolic evaluation of the selected rule. The presence of an explicit memory and the symbolic evaluation allow domain experts to inspect and formally verify the validity of certain global properties of interest for the task prediction process. Experimental results demonstrate that CMR achieves better accuracy-interpretability trade-offs to state-of-the-art CBMs, discovers logic rules consistent with ground truths, allows for rule interventions, and allows pre-deployment verification.

Aligning human preference and value is an important requirement for contemporary foundation models. State-of-the-art techniques such as Reinforcement Learning from Human Feedback (RLHF) often consist of two stages: 1) supervised fine-tuning (SFT), where the model is fine-tuned by learning from human demonstration data; 2) Preference learning, where preference data is used to learn a reward model, which is in turn used by a reinforcement learning (RL) step to fine-tune the model. Such reward model serves as a proxy to human preference, and it is critical to guide the RL step towards improving the model quality. In this work, we argue that the SFT stage significantly benefits from learning a reward model as well. Instead of using the human demonstration data directly via supervised learning, we propose to leverage an Inverse Reinforcement Learning (IRL) technique to {\it simultaneously} build an reward model and a policy model. This approach leads to new SFT algorithms that are not only efficient to implement, but are robust to the presence of low-quality supervised learning data. Moreover, we discover a connection between the proposed IRL based approach, and a recent line of works called Self-Play Fine-tune (SPIN, \cite{chen2024self}). Theoretically, we show that the proposed algorithms converge to the stationary solutions of the IRL problem. Empirically, we align 1B and 7B models using proposed methods and evaluate them on a reward benchmark model and the HuggingFace Open LLM Leaderboard. The proposed methods show significant performance improvement over existing SFT approaches. Our results indicate that it is beneficial to leverage reward learning throughout the entire alignment process. Our code is available at \url{https://github.com/JasonJiaxiangLi/RewardlearningSFT}.

Fine-tuning pre-trained models for downstream tasks is a widely adopted technique known for its adaptability and reliability across various domains. Despite its conceptual simplicity, fine-tuning entails several troublesome engineering choices, such as selecting hyperparameters and determining checkpoints from an optimization trajectory. To tackle the difficulty of choosing the best model, one effective solution is model fusion, which combines multiple models in a parameter space. However, we observe a large discrepancy between loss and metric landscapes during the fine-tuning of pre-trained language models. Building on this observation, we introduce a novel model fusion technique that optimizes both the desired metric and loss through multi-objective Bayesian optimization. In addition, to effectively select hyperparameters, we establish a two-stage procedure by integrating Bayesian optimization processes into our framework. Experiments across various downstream tasks show considerable performance improvements using our Bayesian optimization-guided method.

Recent work in interpretability shows that large language models (LLMs) can be adapted for new tasks in a learning-free way: it is possible to intervene on LLM representations to elicit desired behaviors for alignment. For instance, adding certain bias vectors to the outputs of certain attention heads is reported to boost the truthfulness of models. In this work, we show that localized fine-tuning serves as an effective alternative to such representation intervention methods. We introduce a framework called Localized Fine-Tuning on LLM Representations (LoFiT), which identifies a subset of attention heads that are most important for learning a specific task, then trains offset vectors to add to the model's hidden representations at those selected heads. LoFiT localizes to a sparse set of heads (3%-10%) and learns the offset vectors from limited training data, comparable to the settings used for representation intervention. For truthfulness and reasoning tasks, we find that LoFiT's intervention vectors are more effective for LLM adaptation than vectors from representation intervention methods such as Inference-time Intervention. We also find that the localization step is important: selecting a task-specific set of attention heads can lead to higher performance than intervening on heads selected for a different task. Finally, across 7 tasks we study, LoFiT achieves comparable performance to other parameter-efficient fine-tuning methods such as LoRA, despite modifying 20x-200x fewer parameters than these methods.

Vision Transformer (ViT) has shown great power in learning from large-scale datasets. However, collecting sufficient data for expert knowledge is always difficult. To handle this problem, Cross-Domain Few-Shot Learning (CDFSL) has been proposed to transfer the source-domain knowledge learned from sufficient data to target domains where only scarce data is available. In this paper, we find an intriguing phenomenon neglected by previous works for the CDFSL task based on ViT: leaving the CLS token to random initialization, instead of loading source-domain trained parameters, could consistently improve target-domain performance. We then delve into this phenomenon for an interpretation. We find the CLS token naturally absorbs domain information due to the inherent structure of the ViT, which is represented as the low-frequency component in the Fourier frequency space of images. Based on this phenomenon and interpretation, we further propose a method for the CDFSL task to decouple the domain information in the CLS token during the source-domain training, and adapt the CLS token on the target domain for efficient few-shot learning. Extensive experiments on four benchmarks validate our rationale and state-of-the-art performance. Our codes are available at https://github.com/Zoilsen/CLSTokenCDFSL.

Continual Pre-Training (CPT) on Large Language Models (LLMs) has been widely used to expand the model’s fundamental understanding of specific downstream domains (e.g., math and code). For the CPT on domain-specific LLMs, one important question is how to choose the optimal mixture ratio between the general-corpus (e.g., Dolma, Slim-pajama) and the downstream domain-corpus. Existing methods usually adopt laborious human efforts by grid-searching on a set of mixture ratios, which require high GPU training consumption costs. Besides, we cannot guarantee the selected ratio is optimal for the specific domain. To address the limitations of existing methods, inspired by the Scaling Law for performance prediction, we propose to investigate the Scaling Law of the Domain-specific Continual Pre-Training (D-CPT Law) to decide the optimal mixture ratio with acceptable training costs for LLMs of different sizes. Specifically, by fitting the D-CPT Law, we can easily predict the general and downstream performance of arbitrary mixture ratios, model sizes, and dataset sizes using small-scale training costs on limited experiments. Moreover, we also extend our standard D-CPT Law on cross-domain settings and propose the Cross-Domain D-CPT Law to predict the D-CPT law of target domains, where very small training costs (about 1\% of the normal training costs) are needed for the target domains. Comprehensive experimental results on six downstream domains demonstrate the effectiveness and generalizability of our proposed D-CPT Law and Cross-Domain D-CPT Law.

Traditional unlearnable strategies have been proposed to prevent unauthorized users from training on the 2D image data. With more 3D point cloud data containing sensitivity information, unauthorized usage of this new type data has also become a serious concern. To address this, we propose the first integral unlearnable framework for 3D point clouds including two processes: (i) we propose an unlearnable data protection scheme, involving a class-wise setting established by a category-adaptive allocation strategy and multi-transformations assigned to samples; (ii) we propose a data restoration scheme that utilizes class-wise inverse matrix transformation, thus enabling authorized-only training for unlearnable data. This restoration process is a practical issue overlooked in most existing unlearnable literature, i.e., even authorized users struggle to gain knowledge from 3D unlearnable data. Both theoretical and empirical results (including 6 datasets, 16 models, and 2 tasks) demonstrate the effectiveness of our proposed unlearnable framework. Our code is available at https://github.com/CGCL-codes/UnlearnablePC.

Topic models have been evolving rapidly over the years, from conventional to recent neural models. However, existing topic models generally struggle with either effectiveness, efficiency, or stability, highly impeding their practical applications. In this paper, we propose FASTopic, a fast, adaptive, stable, and transferable topic model. FASTopic follows a new paradigm: Dual Semantic-relation Reconstruction (DSR). Instead of previous conventional, VAE-based, or clustering-based methods, DSR directly models the semantic relations among document embeddings from a pretrained Transformer and learnable topic and word embeddings. By reconstructing through these semantic relations, DSR discovers latent topics. This brings about a neat and efficient topic modeling framework. We further propose a novel Embedding Transport Plan (ETP) method. Rather than early straightforward approaches, ETP explicitly regularizes the semantic relations as optimal transport plans. This addresses the relation bias issue and thus leads to effective topic modeling. Extensive experiments on benchmark datasets demonstrate that our FASTopic shows superior effectiveness, efficiency, adaptivity, stability, and transferability, compared to state-of-the-art baselines across various scenarios.

We introduce the Block Transformer which adopts hierarchical global-to-local modeling to autoregressive transformers to mitigate the inference bottlenecks associated with self-attention. Self-attention requires the key-value (KV) cache of all previous sequences to be retrieved from memory at every decoding step to retrieve context information, leading to two primary bottlenecks during batch inference. First, there is a significant delay in obtaining the first token, as the information of the entire prompt must first be processed to prefill the KV cache. Second, computation of subsequent tokens is bottlenecked by the high memory I/O demand of fetching the entire KV cache, which grows linearly with sequence length, incurring quadratic memory reads overall. We design the Block Transformer to strategically mitigate these costs, by incorporating coarsity and locality into an integrated global-to-local architecture. At the lower layers, we aggregate tokens into fixed size blocks to apply attention across the entire sequence at coarse-grained detail, to capture the global context while minimizing KV cache overhead. At upper layers, we apply attention within each block to decode individual tokens, to model fine-grained details with a lightweight local KV cache. We pretrain vanilla and Block Transformers from scratch and demonstrate that Block Transformers reach 10--20x inference throughput compared to vanilla transformers with equivalent perplexity and zero-shot task performance.

The evolution of Artificial Intelligence (AI) has been significantly accelerated by advancements in Large Language Models (LLMs) and Large Multimodal Models (LMMs), gradually showcasing potential cognitive reasoning abilities in problem-solving and scientific discovery (i.e., AI4Science) once exclusive to human intellect. To comprehensively evaluate current models' performance in cognitive reasoning abilities, we introduce OlympicArena, which includes 11,163 bilingual problems across both text-only and interleaved text-image modalities. These challenges encompass a wide range of disciplines spanning seven fields and 62 international Olympic competitions, rigorously examined for data leakage. We argue that the challenges in Olympic competition problems are ideal for evaluating AI's cognitive reasoning due to their complexity and interdisciplinary nature, which are essential for tackling complex scientific challenges and facilitating discoveries. Beyond evaluating performance across various disciplines using answer-only criteria, we conduct detailed experiments and analyses from multiple perspectives. We delve into the models' cognitive reasoning abilities, their performance across different modalities, and their outcomes in process-level evaluations, which are vital for tasks requiring complex reasoning with lengthy solutions. Our extensive evaluations reveal that even advanced models like GPT-4o only achieve a 39.97\% overall accuracy (28.67\% for mathematics and 29.71\% for physics), illustrating current AI limitations in complex reasoning and multimodal integration. Through the OlympicArena, we aim to advance AI towards superintelligence, equipping it to address more complex challenges in science and beyond. We also provide a comprehensive set of resources to support AI research, including a benchmark dataset, an open-source annotation platform, a detailed evaluation tool, and a leaderboard with automatic submission features.

Symmetry detection has been shown to improve various machine learning tasks. In the context of continuous symmetry detection, current state of the art experiments are limited to the detection of affine transformations. Under the manifold assumption, we outline a framework for discovering continuous symmetry in data beyond the affine transformation group. We also provide a similar framework for discovering discrete symmetry. We experimentally compare our method to an existing method known as LieGAN and show that our method is competitive at detecting affine symmetries for large sample sizes and superior than LieGAN for small sample sizes. We also show our method is able to detect continuous symmetries beyond the affine group and is generally more computationally efficient than LieGAN.

Trained transformer models have been found to implement interpretable procedures for tasks like arithmetic and associative recall, but little is understood about how the circuits that implement these procedures originate during training. To what extent do they depend on the supervisory signal provided to models, and to what extent are they attributable to behavior already present in models at the beginning of training? To investigate these questions, we investigate what functions can be learned by randomly initialized transformers in which only the embedding layers are optimized, so that the only input--output mappings learnable from data are those already implemented (up to a choice of encoding scheme) by the randomly initialized model. We find that these random transformers can perform a wide range of meaningful algorithmic tasks, including modular arithmetic, in-weights and in-context associative recall, decimal addition, parenthesis balancing, and even some aspects of natural language text generation. Our results indicate that some algorithmic capabilities are present in transformers (and accessible via appropriately structured inputs) even before these models are trained.

Goal misalignment, reward sparsity and difficult credit assignment are only a few of the many issues that make it difficult for deep reinforcement learning (RL) agents to learn optimal policies. Unfortunately, the black-box nature of deep neural networks impedes the inclusion of domain experts for inspecting the model and revising suboptimal policies.To this end, we introduce Successive Concept Bottleneck Agents (SCoBots), that integrate consecutive concept bottleneck (CB) layers. In contrast to current CB models, SCoBots do not just represent concepts as properties of individual objects, but also as relations between objects which is crucial for many RL tasks. Our experimental results provide evidence of SCoBots' competitive performances, but also of their potential for domain experts to understand and regularize their behavior. Among other things, SCoBots enabled us to identify a previously unknown misalignment problem in the iconic video game, Pong, and resolve it. Overall, SCoBots thus result in more human-aligned RL agents.

When reading long-form text, human cognition is complex and structurized. While large language models (LLMs) process input contexts through a causal and sequential perspective, this approach can potentially limit their ability to handle intricate and complex inputs effectively. To enhance LLM’s cognition capability, this paper presents a novel concept of context structurization. Specifically, we transform the plain, unordered contextual sentences into well-ordered and hierarchically structurized elements. By doing so, LLMs can better grasp intricate and extended contexts through precise attention and information-seeking along the organized structures. Extensive evaluations are conducted across various model architectures and sizes (including a series of auto-regressive LLMs as well as BERT-like masking models) on a diverse set of NLP tasks (e.g., context-based question-answering, exhaustive hallucination evaluation, and passage-level dense retrieval). Empirical results show consistent and significant performance gains afforded by a single-round structurization. In particular, we boost the open-sourced LLaMA2-70B model to achieve comparable performance against GPT-3.5-Turbo as the halluci- nation evaluator. Besides, we show the feasibility of distilling advanced LLMs’ language processing abilities to a smaller yet effective StruXGPT-7B to execute structurization, addressing the practicality of our approach. Code is available at https://github.com/alibaba/struxgpt.

Alignment is a procedure to fine-tune pre-trained large language models (LLMs) to follow natural language instructions and serve as helpful AI assistants. We have observed, however, that the conventional alignment process fails to enhance the factual accuracy of LLMs, and often leads to the generation of more false facts (i.e., hallucination). In this paper, we study how to make the LLM alignment process more factual, by first identifying factors that lead to hallucination in both alignment steps: supervised fine-tuning (SFT) and reinforcement learning (RL).In particular, we find that training the LLM on new or unfamiliar knowledge can encourage hallucination.This makes SFT less factual as it trains on human-labeled data that may be novel to the LLM. Furthermore, reward functions used in standard RL often inadequately capture factuality and favor longer and more detailed responses, which inadvertently promote hallucination.Based on these observations, we propose FactuaLity-aware AlignMEnt, comprised of factuality-aware SFT and factuality-aware RL through direct preference optimization. Experiments show that our proposed FLAME guides LLMs to output more factual responses while maintaining their instruction-following capability.

Tokenizers serve as crucial interfaces between models and linguistic data, substantially influencing the efficacy and precision of large language models (LLMs). Traditional tokenization methods often rely on static frequency-based statistics and are not inherently synchronized with LLM architectures, which may limit model performance. In this study, we propose a simple but effective method to learn tokenizers specifically engineered for seamless integration with LLMs. Initiating with a broad initial vocabulary, we refine our tokenizer by monitoring changes in the model’s perplexity during training, allowing for the selection of a tokenizer that is closely aligned with the model’s evolving dynamics. Through iterative refinement, we develop an optimized tokenizer. Our empirical evaluations demonstrate that this adaptive approach significantly enhances accuracy compared to conventional methods, maintaining comparable vocabulary sizes and affirming its potential to improve LLM functionality.

Aligning language models (LMs) to human preferences has emerged as a critical pursuit, enabling these models to better serve diverse user needs. Existing methods primarily focus on optimizing LMs for a single reward function, limiting their adaptability to varied objectives. Here, we propose $\textbf{multi-objective decoding~(MOD)}$, a decoding-time algorithm that outputs the next token from a linear combination of predictions of all base models, for any given weighting over different objectives.We exploit a common form among a family of $f$-divergence regularized alignment approaches (such as PPO, DPO, and their variants) to identify a closed-form solution by Legendre transform, and derive an efficient decoding strategy.Theoretically, we show why existing approaches can be sub-optimal even in natural settings and obtain optimality guarantees for our method.Empirical results demonstrate the effectiveness of the algorithm. For example, compared to a parameter-merging baseline, MOD achieves 12.8\% overall reward improvement when equally optimizing towards $3$ objectives. Moreover, we experiment with MOD on combining three fully-finetuned LMs of different model sizes, each aimed at different objectives such as safety, coding, and general user preference. Unlike traditional methods that require careful curation of a mixture of datasets to achieve comprehensive improvement, we can quickly experiment with preference weightings using MOD to find the best combination of models. Our best combination reduces toxicity on Toxigen to nearly 0\% and achieves 7.9--33.3\% improvement across three other metrics ($\textit{i.e.}$, Codex@1, GSM-COT, BBH-COT).

Binarization, which converts weight parameters to binary values, has emerged as an effective strategy to reduce the size of large language models (LLMs). However, typical binarization techniques significantly diminish linguistic effectiveness of LLMs.To address this issue, we introduce a novel binarization technique called Mixture of Scales (BinaryMoS). Unlike conventional methods, BinaryMoS employs multiple scaling experts for binary weights, dynamically merging these experts for each token to adaptively generate scaling factors. This token-adaptive approach boosts the representational power of binarized LLMs by enabling contextual adjustments to the values of binary weights. Moreover, because this adaptive process only involves the scaling factors rather than the entire weight matrix, BinaryMoS maintains compression efficiency similar to traditional static binarization methods. Our experimental results reveal that BinaryMoS surpasses conventional binarization techniques in various natural language processing tasks and even outperforms 2-bit quantization methods, all while maintaining similar model size to static binarization techniques.

Despite the recent observation that large language models (LLMs) can store substantial factual knowledge, there is a limited understanding of the mechanisms of how they acquire factual knowledge through pretraining. This work addresses this gap by studying how LLMs acquire factual knowledge during pretraining. The findings reveal several important insights into the dynamics of factual knowledge acquisition during pretraining. First, counterintuitively, we observe that pretraining on more data shows no significant improvement in the model's capability to acquire and maintain factual knowledge. Next, LLMs undergo forgetting of memorization and generalization of factual knowledge, and LLMs trained with duplicated training data exhibit faster forgetting. Third, training LLMs with larger batch sizes can enhance the models' robustness to forgetting. Overall, our observations suggest that factual knowledge acquisition in LLM pretraining occurs by progressively increasing the probability of factual knowledge presented in the pretraining data at each step. However, this increase is diluted by subsequent forgetting. Based on this interpretation, we demonstrate that we can provide plausible explanations on recently observed behaviors of LLMs, such as the poor performance of LLMs on long-tail knowledge and the benefits of deduplicating the pretraining corpus.

Large vision-language models (VLMs) fine-tuned on specialized visual instruction-following data have exhibited impressive language reasoning capabilities across various scenarios. However, this fine-tuning paradigm may not be able to efficiently learn optimal decision-making agents in multi-step goal-directed tasks from interactive environments. To address this challenge, we propose an algorithmic framework that fine-tunes VLMs with reinforcement learning (RL). Specifically, our framework provides a task description and then prompts the VLM to generate chain-of-thought (CoT) reasoning, enabling the VLM to efficiently explore intermediate reasoning steps that lead to the final text-based action. Next, the open-ended text output is parsed into an executable action to interact with the environment to obtain goal-directed task rewards. Finally, our framework uses these task rewards to fine-tune the entire VLM with RL. Empirically, we demonstrate that our proposed framework enhances the decision-making capabilities of VLM agents across various tasks, enabling 7b models to outperform commercial models such as GPT4-V or Gemini. Furthermore, we find that CoT reasoning is a crucial component for performance improvement, as removing the CoT reasoning results in a significant decrease in the overall performance of our method.

Non-autoregressive Transformers (NATs) are recently applied in direct speech-to-speech translation systems, which convert speech across different languages without intermediate text data. Although NATs generate high-quality outputs and offer faster inference than autoregressive models, they tend to produce incoherent and repetitive results due to complex data distribution (e.g., acoustic and linguistic variations in speech). In this work, we introduce DiffNorm, a diffusion-based normalization strategy that simplifies data distributions for training NAT models. After training with a self-supervised noise estimation objective, DiffNorm constructs normalized target data by denoising synthetically corrupted speech features. Additionally, we propose to regularize NATs with classifier-free guidance, improving model robustness and translation quality by randomly dropping out source information during training. Our strategies result in a notable improvement of about $+7$ ASR-BLEU for English-Spanish (En-Es) translation and $+2$ ASR-BLEU for English-French (En-Fr) on the CVSS benchmark, while attaining over $14\times$ speedup for En-Es and $5 \times$ speedup for En-Fr translations compared to autoregressive baselines.

Unsupervised automatic speech recognition (ASR) aims to learn the mapping between the speech signal and its corresponding textual transcription without the supervision of paired speech-text data. A word/phoneme in the speech signal is represented by a segment of speech signal with variable length and unknown boundary, and this segmental structure makes learning the mapping between speech and text challenging, especially without paired data. In this paper, we propose REBORN, Reinforcement-Learned Boundary Segmentation with Iterative Training for Unsupervised ASR. REBORN alternates between (1) training a segmentation model that predicts the boundaries of the segmental structures in speech signals and (2) training the phoneme prediction model, whose input is a segmental structure segmented by the segmentation model, to predict a phoneme transcription. Since supervised data for training the segmentation model is not available, we use reinforcement learning to train the segmentation model to favor segmentations that yield phoneme sequence predictions with a lower perplexity. We conduct extensive experiments and find that under the same setting, REBORN outperforms all prior unsupervised ASR models on LibriSpeech, TIMIT, and five non-English languages in Multilingual LibriSpeech. We comprehensively analyze why the boundaries learned by REBORN improve the unsupervised ASR performance.

To address the challenges of sim-to-real gap and sample efficiency in reinforcement learning (RL), this work studies distributionally robust Markov decision processes (RMDPs) --- optimize the worst-case performance when the deployed environment is within an uncertainty set around some nominal MDP. Despite recent efforts, the sample complexity of RMDPs has remained largely undetermined. While the statistical implications of distributional robustness in RL have been explored in some specific cases, the generalizability of the existing findings remains unclear, especially in comparison to standard RL. Assuming access to a generative model that samples from the nominal MDP, we examine the sample complexity of RMDPs using a class of generalized $L_p$ norms as the 'distance' function for the uncertainty set, under two commonly adopted $sa$-rectangular and $s$-rectangular conditions. Our results imply that RMDPs can be more sample-efficient to solve than standard MDPs using generalized $L_p$ norms in both $sa$- and $s$-rectangular cases, potentially inspiring more empirical research. We provide a near-optimal upper bound and a matching minimax lower bound for the $sa$-rectangular scenarios. For $s$-rectangular cases, we improve the state-of-the-art upper bound and also derive a lower bound using $L_\infty$ norm that verifies the tightness.

Contrastive Language-Image Pre-training (CLIP) achieves impressive performance on tasks like image classification and image-text retrieval by learning on large-scale image-text datasets. However, CLIP struggles with dense prediction tasks due to the poor grasp of the fine-grained details. Although existing works pay attention to this issue, they achieve limited improvements and usually sacrifice the important visual-semantic consistency. To overcome these limitations, we propose FineCLIP, which keeps the global contrastive learning to preserve the visual-semantic consistency and further enhances the fine-grained understanding through two innovations: 1) A real-time self-distillation scheme that facilitates the transfer of representation capability from global to local features. 2) A semantically-rich regional contrastive learning paradigm with generated region-text pairs, boosting the local representation capabilities with abundant fine-grained knowledge. Both cooperate to fully leverage diverse semantics and multi-grained complementary information.To validate the superiority of our FineCLIP and the rationality of each design, we conduct extensive experiments on challenging dense prediction and image-level tasks. All the observations demonstrate the effectiveness of FineCLIP.

Tuning scientific and probabilistic machine learning models - for example, partial differential equations, Gaussian processes, or Bayesian neural networks - often relies on evaluating functions of matrices whose size grows with the data set or the number of parameters.While the state-of-the-art for evaluating these quantities is almost always based on Lanczos and Arnoldi iterations, the present work is the first to explain how to differentiate these workhorses of numerical linear algebra efficiently.To get there, we derive previously unknown adjoint systems for Lanczos and Arnoldi iterations, implement them in JAX, and show that the resulting code can compete with Diffrax when it comes to differentiating PDEs, GPyTorch for selecting Gaussian process models and beats standard factorisation methods for calibrating Bayesian neural networks.All this is achieved without any problem-specific code optimisation.Find the code at [link redacted] and install the library with pip install [redacted].

The success of pretrain-finetune paradigm brings about the release of numerous model weights. In this case, merging models finetuned on different tasks to enable a single model with multi-task capabilities is gaining increasing attention for its practicability. Existing model merging methods usually suffer from (1) significant performance degradation or (2) requiring tuning by additional data or training. In this paper, we rethink and analyze the existing model merging paradigm. We discover that using a single model's weights can hardly simulate all the models' performance. To tackle this issue, we propose Elect, Mask & Rescale-Merging (EMR-Merging). We first (a) elect a unified model from all the model weights and then (b) generate extremely lightweight task-specific modulators, including masks and rescalers, to align the direction and magnitude between the unified model and each specific model, respectively. EMR-Merging is tuning-free, thus requiring no data availability or any additional training while showing impressive performance. We find that EMR-Merging shows outstanding performance compared to existing merging methods under different classical and newly-established settings, including merging different numbers of vision models (up to 30), NLP models, PEFT models, and multi-modal models.

Domain adaptive object detection (DAOD) aims to generalize detectors trained on an annotated source domain to an unlabelled target domain.As the visual-language models (VLMs) can provide essential general knowledge on unseen images, freezing the visual encoder and inserting a domain-agnostic adapter can learn domain-invariant knowledge for DAOD.However, the domain-agnostic adapter is inevitably biased to the source domain.It discards some beneficial knowledge discriminative on the unlabelled domain, \ie domain-specific knowledge of the target domain.To solve the issue, we propose a novel Domain-Aware Adapter (DA-Ada) tailored for the DAOD task.The key point is exploiting domain-specific knowledge between the essential general knowledge and domain-invariant knowledge.DA-Ada consists of the Domain-Invariant Adapter (DIA) for learning domain-invariant knowledge and the Domain-Specific Adapter (DSA) for injecting the domain-specific knowledge from the information discarded by the visual encoder.Comprehensive experiments over multiple DAOD tasks show that DA-Ada can efficiently infer a domain-aware visual encoder for boosting domain adaptive object detection.Our code is available at https://github.com/Therock90421/DA-Ada.

In cross-domain few-shot classification (CFC), recent works mainly focus on adapting a simple transformation head on top of a frozen pre-trained backbone with few labeled data to project embeddings into a task-specific metric space where classification can be performed by measuring similarities between image instance and prototype representations. Technically, an assumption implicitly adopted in such a framework is that the prototype and image instance embeddings share the same representation transformation. However, in this paper, we find that there naturally exists a gap, which resembles the modality gap, between the prototype and image instance embeddings extracted from the frozen pre-trained backbone, and simply applying the same transformation during the adaptation phase constrains exploring the optimal representation distributions and shrinks the gap between prototype and image representations. To solve this problem, we propose a simple yet effective method, contrastive prototype-image adaptation (CoPA), to adapt different transformations for prototypes and images similarly to CLIP by treating prototypes as text prompts. Extensive experiments on Meta-Dataset demonstrate that CoPA achieves the state-of-the-art performance more efficiently. Meanwhile, further analyses also indicate that CoPA can learn better representation clusters, enlarge the gap, and achieve the minimum validation loss at the enlarged gap.

We focus on developing a theoretical understanding of meta-learning. Given multiple tasks drawn i.i.d. from some (unknown) task distribution, the goal is to find a good pre-trained model that can be adapted to a new, previously unseen, task with little computational and statistical overhead. We introduce a novel notion of stability for meta-learning algorithms, namely uniform meta-stability. We instantiate two uniformly meta-stable learning algorithms based on regularized empirical risk minimization and gradient descent and give explicit generalization bounds for convex learning problems with smooth losses and for weakly convex learning problems with non-smooth losses. Finally, we extend our results to stochastic and adversarially robust variants of our meta-learning algorithm.

Vision transformers (ViTs) perform exceptionally well in various computer vision tasks but remain vulnerable to adversarial attacks. Recent studies have shown that the transferability of adversarial examples exists for CNNs, and the same holds true for ViTs. However, existing ViT attacks aggressively regularize the largest token gradients to exact zero within each layer of the surrogate model, overlooking the interactions between layers, which limits their transferability in attacking black-box models. Therefore, in this paper, we focus on boosting the transferability of adversarial attacks on ViTs through adaptive token tuning (ATT). Specifically, we propose three optimization strategies: an adaptive gradient re-scaling strategy to reduce the overall variance of token gradients, a self-paced patch out strategy to enhance the diversity of input tokens, and a hybrid token gradient truncation strategy to weaken the effectiveness of attention mechanism. We demonstrate that scaling correction of gradient changes using gradient variance across different layers can produce highly transferable adversarial examples. In addition, introducing attentional truncation can mitigate the overfitting over complex interactions between tokens in deep ViT layers to further improve the transferability. On the other hand, using feature importance as a guidance to discard a subset of perturbation patches in each iteration, along with combining self-paced learning and progressively more sampled attacks, significantly enhances the transferability over attacks that use all perturbation patches. Extensive experiments conducted on ViTs, undefended CNNs, and defended CNNs validate the superiority of our proposed ATT attack method. On average, our approach improves the attack performance by 10.1% compared to state-of-the-art transfer-based attacks. Notably, we achieve the best attack performance with an average of 58.3% on three defended CNNs. Code is available at https://github.com/MisterRpeng/ATT.

Deep Neural Networks (DNNs) have revolutionized artificial intelligence, achieving impressive results on diverse data types, including images, videos, and texts. However, DNNs still lag behind Gradient Boosting Decision Trees (GBDT) on tabular data, a format extensively utilized across various domains. This paper introduces DOFEN, which stands for Deep Oblivious Forest ENsemble. DOFEN is a novel DNN architecture inspired by oblivious decision trees and achieves on-off sparse selection of columns. DOFEN surpasses other DNNs on tabular data, achieving state-of-the-art performance on the well-recognized benchmark: Tabular Benchmark, which includes 73 total datasets spanning a wide array of domains. The code of DOFEN is available at: https://github.com/Sinopac-Digital-Technology-Division/DOFEN

Since the inception of the classicalist vs. connectionist debate, it has been argued that the ability to systematically combine symbol-like entities into compositional representations is crucial for human intelligence. In connectionist systems, the field of disentanglement has emerged to address this need by producing representations with explicitly separated factors of variation (FoV). By treating the overall representation as a string-like concatenation of the inferred FoVs, however, disentanglement provides a fundamentally symbolic treatment of compositional structure, one inherently at odds with the underlying continuity of deep learning vector spaces. We hypothesise that this symbolic-continuous mismatch produces broadly suboptimal performance in deep learning models that learn or use such representations. To fully align compositional representations with continuous vector spaces, we extend Smolensky's Tensor Product Representation (TPR) and propose a new type of inherently continuous compositional representation, Soft TPR, along with a theoretically-principled architecture, Soft TPR Autoencoder, designed specifically for learning Soft TPRs. In the visual representation learning domain, our Soft TPR confers broad benefits over symbolic compositional representations: state-of-the-art disentanglement and improved representation learner convergence, along with enhanced sample efficiency and superior low-sample regime performance for downstream models, empirically affirming the value of our inherently continuous compositional representation learning framework.

Residual networks, as discrete approximations of Ordinary Differential Equations (ODEs), have inspired significant advancements in neural network design, including multistep methods, high-order methods, and multi-particle dynamical systems. The precision of the solution to ODEs significantly affects parameter optimization, thereby impacting model performance. In this work, we present a series of advanced explorations of Transformer architecture design to minimize the error compared to the true ``solution.'' First, we introduce a predictor-corrector learning framework to minimize truncation errors, which consists of a high-order predictor and a multistep corrector. Second, we propose an exponential moving average-based coefficient learning method to strengthen our higher-order predictor. Extensive experiments on large-scale machine translation, abstractive summarization, language modeling, and natural language understanding benchmarks demonstrate the superiority of our approach. On the WMT'14 English-German and English-French tasks, our model achieved BLEU scores of 30.95 and 44.27, respectively. Furthermore, on the OPUS multilingual machine translation task, our model surpasses a robust 3.8B DeepNet by an average of 2.9 SacreBLEU, using only 1/3 parameters. Notably, it also beats LLama models by 5.7 accuracy points on the LM Harness Evaluation.

Kernel methods are widely utilized in machine learning field to learn, from training data, a latent function in a reproducing kernel Hilbert space. It is well known that the approximator thus obtained usually achieves a linear representation, which brings various computational benefits, while maintaining great representation power (i.e., universal approximation). However, when non-negativity constraints are imposed on the function's outputs, the literature usually takes the kernel method-based approximators as offering linear representations at the expense of limited model flexibility or good representation power by allowing for their nonlinear forms. The main contribution of this paper is to derive a sufficient condition for a positive definite kernel so that it may construct flexible and linear approximators of non-negative functions. We call a kernel function that offers these attributes an inverse M-kernel; it is reminiscent of the inverse M-matrix. Furthermore, we show that for a one-dimensional input space, universal exponential/Abel kernels are inverse M-kernels and construct linear universal approximators of non-negative functions. To the best of our knowledge, it is the first time that the existence of linear universal approximators of non-negative functions has been elucidated. We confirm the effectiveness of our results by experiments on the problems of non-negativity-constrained regression, density estimation, and intensity estimation. Finally, we discuss issues and perspectives on multi-dimensional input settings.

Kernel techniques are among the most influential approaches in data science and statistics. Under mild conditions, the reproducing kernel Hilbert space associated to a kernel is capable of encoding the independence of $M\ge2$ random variables. Probably the most widespread independence measure relying on kernels is the so-called Hilbert-Schmidt independence criterion (HSIC; also referred to as distance covariance in the statistics literature). Despite various existing HSIC estimators designed since its introduction close to two decades ago, the fundamental question of the rate at which HSIC can be estimated is still open. In this work, we prove that the minimax optimal rate of HSIC estimation on $\mathbb{R}^d$ for Borel measures containing the Gaussians with continuous bounded translation-invariant characteristic kernels is $\mathcal{O}\left(n^{-1/2}\right)$. Specifically, our result implies the optimality in the minimax sense of many of the most-frequently used estimators (including the U-statistic, the V-statistic, and the Nyström-based one) on $\mathbb{R}^d$.

Empirical data can often be considered as samples from a set of probability distributions. Kernel methods have emerged as a natural approach for learning to classify these distributions. Although numerous kernels between distributions have been proposed, applying kernel methods to distribution regression tasks remains challenging, primarily because selecting a suitable kernel is not straightforward. Surprisingly, the question of learning a data-dependent distribution kernel has received little attention. In this paper, we propose a novel objective for the unsupervised learning of data-dependent distribution kernel, based on the principle of entropy maximization in the space of probability measure embeddings. We examine the theoretical properties of the latent embedding space induced by our objective, demonstrating that its geometric structure is well-suited for solving downstream discriminative tasks. Finally, we demonstrate the performance of the learned kernel across different modalities.

An important problem in signal processing and deep learning is to achieve *invariance* to nuisance factors not relevant for the task. Since many of these factors are describable as the action of a group $G$ (e.g. rotations, translations, scalings), we want methods to be $G$-invariant. The $G$-Bispectrum extracts every characteristic of a given signal up to group action: for example, the shape of an object in an image, but not its orientation. Consequently, the $G$-Bispectrum has been incorporated into deep neural network architectures as a computational primitive for $G$-invariance\textemdash akin to a pooling mechanism, but with greater selectivity and robustness. However, the computational cost of the $G$-Bispectrum ($\mathcal{O}(|G|^2)$, with $|G|$ the size of the group) has limited its widespread adoption. Here, we show that the $G$-Bispectrum computation contains redundancies that can be reduced into a *selective $G$-Bispectrum* with $\mathcal{O}(|G|)$ complexity. We prove desirable mathematical properties of the selective $G$-Bispectrum and demonstrate how its integration in neural networks enhances accuracy and robustness compared to traditional approaches, while enjoying considerable speeds-up compared to the full $G$-Bispectrum.

State-of-the-art (SOTA) semi-supervised learning techniques, such as FixMatch and it's variants, have demonstrated impressive performance in classification tasks. However, these methods are not directly applicable to regression tasks. In this paper, we present RankUp, a simple yet effective approach that adapts existing semi-supervised classification techniques to enhance the performance of regression tasks. RankUp achieves this by converting the original regression task into a ranking problem and training it concurrently with the original regression objective. This auxiliary ranking classifier outputs a classification result, thus enabling integration with existing semi-supervised classification methods. Moreover, we introduce regression distribution alignment (RDA), a complementary technique that further enhances RankUp's performance by refining pseudo-labels through distribution alignment. Despite its simplicity, RankUp, with or without RDA, achieves SOTA results in across a range of regression benchmarks, including computer vision, audio, and natural language processing tasks. Our code and log data are open-sourced at https://github.com/pm25/semi-supervised-regression.

Adapting to dynamic data distributions is a practical yet challenging task. One effective strategy is to use a model ensemble, which leverages the diverse expertise of different models to transfer knowledge to evolving data distributions. However, this approach faces difficulties when the dynamic test distribution is available only in small batches and without access to the original source data. To address the challenge of adapting to dynamic distributions in such practical settings, we propose continual multi-source adaptation to dynamic distributions (CONTRAST), a novel method that optimally combines multiple source models to adapt to the dynamic test data. CONTRAST has two distinguishing features. First, it efficiently computes the optimal combination weights to combine the source models to adapt to the test data distribution continuously as a function of time. Second, it identifies which of the source model parameters to update so that only the model which is most correlated to the target data is adapted, leaving the less correlated ones untouched; this mitigates the issue of ``forgetting" the source model parameters by focusing only on the source model that exhibits the strongest correlation with the test batch distribution. Through theoretical analysis we show that the proposed method is able to optimally combine the source models and prioritize updates to the model least prone to forgetting. Experimental analysis on diverse datasets demonstrates that the combination of multiple source models does at least as well as the best source (with hindsight knowledge), and performance does not degrade as the test data distribution changes over time (robust to forgetting).

To reduce annotation costs, it is common in crowdsourcing to collect only a few noisy labels from different crowd workers for each instance. However, the limited noisy labels restrict the performance of label integration algorithms in inferring the unknown true label for the instance. Recent works have shown that leveraging neighbor instances can help alleviate this problem. Yet, these works all assume that each instance has the same neighborhood size, which defies common sense. To address this gap, we propose a novel label integration algorithm called K-free nearest neighbor (KFNN). In KFNN, the neighborhood size of each instance is automatically determined based on its attributes and noisy labels. Specifically, KFNN initially estimates a Mahalanobis distance distribution from the attribute space to model the relationship between each instance and all classes. This distance distribution is then utilized to enhance the multiple noisy label distribution of each instance. Subsequently, a Kalman filter is designed to mitigate the impact of noise incurred by neighbor instances. Finally, KFNN determines the optimal neighborhood size by the max-margin learning. Extensive experimental results demonstrate that KFNN significantly outperforms all the other state-of-the-art algorithms and exhibits greater robustness in various crowdsourcing scenarios.

Foundation models require vast amounts of data and compute to train. Still, over time, they become outdated and need to be updated with new information. Current research explores two main ways to update these models: (i) large-scale, indiscriminate updates through continual fine-tuning on large quantities of new data and compute, and (ii) frequent, small updates on a fact or sample level with continual knowledge edits or retrieval with a fixed backbone.However, many real-world applications need updates to subdomains and concepts not well covered during pretraining, or new, specific tasks. How to best update foundation models, in cases beyond small edits but not warranting re-pretraining, remains unclear.This work aims to provide extensive guidance on effective continual model updates in such scenarios. We introduce FoMo-in-Flux, a benchmark for continual multimodal pretraining with real-world compute constraints and diverse coverage. FoMo-in-Flux operates over 63 datasets, provides long data and task horizons, and measures both adaptation and preservation of zero-shot transfer abilities. We conduct extensive experiments to explore multiple perspectives: (i) A data-centric study investigating pretraining and adaptation data mixtures alongside real-world stream orderings, (ii) a method landscape from simple fine-tuning, parameter-efficient updates, traditional continual learning strategies to model merging, and (iii) training recipes exploring learning rate schedules and low-level design choices. Together, we extend current perspectives, and provide a practitioner's guide to continual multimodal pretraining for real-world deployment.

The rapid advancements in the development of multimodal large language models (MLLMs) have consistently led to new breakthroughs on various benchmarks. In response, numerous challenging and comprehensive benchmarks have been proposed to more accurately assess the capabilities of MLLMs. However, there is a dearth of exploration of the higher-order perceptual capabilities of MLLMs. To fill this gap, we propose the Image Implication understanding Benchmark, II-Bench, which aims to evaluate the model's higher-order perception of images. Through extensive experiments on II-Bench across multiple MLLMs, we have made significant findings. Initially, a substantial gap is observed between the performance of MLLMs and humans on II-Bench. The pinnacle accuracy of MLLMs attains 74.8%, whereas human accuracy averages 90%, peaking at an impressive 98%. Subsequently, MLLMs perform worse on abstract and complex images, suggesting limitations in their ability to understand high-level semantics and capture image details. Finally, it is observed that most models exhibit enhanced accuracy when image sentiment polarity hints are incorporated into the prompts. This observation underscores a notable deficiency in their inherent understanding of image sentiment. We believe that II-Bench will inspire the community to develop the next generation of MLLMs, advancing the journey towards expert artificial general intelligence (AGI). II-Bench is publicly available at https://huggingface.co/datasets/m-a-p/II-Bench.

In the medical multi-modal frameworks, the alignment of cross-modality features presents a significant challenge. However, existing works have learned features that are implicitly aligned from the data, without considering the explicit relationships in the medical context. This data-reliance may lead to low generalization of the learned alignment relationships. In this work, we propose the Eye-gaze Guided Multi-modal Alignment (EGMA) framework to harness eye-gaze data for better alignment of medical visual and textual features. We explore the natural auxiliary role of radiologists' eye-gaze data in aligning medical images and text, and introduce a novel approach by using eye-gaze data, collected synchronously by radiologists during diagnostic evaluations. We conduct downstream tasks of image classification and image-text retrieval on four medical datasets, where EGMA achieved state-of-the-art performance and stronger generalization across different datasets. Additionally, we explore the impact of varying amounts of eye-gaze data on model performance, highlighting the feasibility and utility of integrating this auxiliary data into multi-modal alignment framework.

Out-of-distribution (OOD) detection is crucial for the safe deployment of neural networks. Existing CLIP-based approaches perform OOD detection by devising novel scoring functions or sophisticated fine-tuning methods. In this work, we propose SeTAR, a novel, training-free OOD detection method that leverages selective low-rank approximation of weight matrices in vision-language and vision-only models. SeTAR enhances OOD detection via post-hoc modification of the model's weight matrices using a simple greedy search algorithm. Based on SeTAR, we further propose SeTAR+FT, a fine-tuning extension optimizing model performance for OOD detection tasks. Extensive evaluations on ImageNet1K and Pascal-VOC benchmarks show SeTAR's superior performance, reducing the relatively false positive rate by up to 18.95\% and 36.80\% compared to zero-shot and fine-tuning baselines. Ablation studies further validate our approach's effectiveness, robustness, and generalizability across different model backbones. Our work offers a scalable, efficient solution for OOD detection, setting a new state-of-the-art in this area.

Contrastive learning methods, such as CLIP, leverage naturally paired data—for example, images and their corresponding text captions—to learn general representations that transfer efficiently to downstream tasks. While such approaches are generally applied to two modalities, domains such as robotics, healthcare, and video need to support many types of data at once. We show that the pairwise application of CLIP fails to capture joint information between modalities, thereby limiting the quality of the learned representations. To address this issue, we present Symile, a simple contrastive learning approach that captures higher-order information between any number of modalities. Symile provides a flexible, architecture-agnostic objective for learning modality-specific representations. To develop Symile's objective, we derive a lower bound on total correlation, and show that Symile representations for any set of modalities form a sufficient statistic for predicting the remaining modalities. Symile outperforms pairwise CLIP, even with modalities missing in the data, on cross-modal classification and retrieval across several experiments including on an original multilingual dataset of 33M image, text and audio samples and a clinical dataset of chest X-rays, electrocardiograms, and laboratory measurements. All datasets and code used in this work are publicly available at https://github.com/rajesh-lab/symile.

Large Language Models (LLMs) have demonstrated impressive performance on multimodal tasks, without any multimodal finetuning. They are the de facto building block for Large Multimodal Models (LMMs), yet, we still lack a proper understanding of their success. In this work, we expose frozen LLMs to image, video, audio and text inputs and analyse their internal representation with the attempt to understand their generalization beyond textual inputs. Our work provides the following findings. Perceptual tokens (1) are easily distinguishable from textual ones inside LLMs, with significantly different representations (e.g. live in different narrow cones), and complete translation to textual tokens does not exists. Yet, (2) both perceptual and textual tokens activate similar LLM weights. Despite their differences, (3) perceptual tokens are implicitly aligned to textual tokens inside LLMs, we call this the implicit multimodal alignment effect (IMA), and argue that this is linked to architectural design, helping LLMs to generalize. This provide more evidence to believe that the generalization of LLMs to multimodal inputs is mainly due to their architecture. These findings lead to several implications. This work provides several implications. (1) We find a positive correlation between the implicit alignment score and the task performance, suggesting that this could act as a proxy metric for model evaluation and selection. (2) A negative correlation exists regarding hallucinations (e.g. describing non-existing objects in images), revealing that this problem is mainly due to misalignment between the internal perceptual and textual representations. (3) Perceptual tokens change slightly throughout the model, thus, we propose different approaches to skip computations (e.g. in FFN layers), and significantly reduce the inference cost. (4) Due to the slowly changing embeddings across layers, and the high overlap between textual and multimodal activated weights, we compress LLMs by keeping only 1 subnetwork (called alpha-SubNet) that works well across a wide range of multimodal tasks. The code is available here: https://github.com/mshukor/ima-lmms.

We introduce FlexCap, a vision-language model that generates region-specific descriptions of varying lengths. FlexCap is trained to produce length-conditioned captions for input boxes, enabling control over information density, with descriptions ranging from concise object labels to detailed captions. To achieve this, we create large-scale training datasets of image region descriptions with varying lengths from captioned web images. We demonstrate FlexCap’s effectiveness in several applications: first, it achieves strong performance in dense captioning tasks on the Visual Genome dataset. Second, we show how FlexCap’s localized descriptions can serve as input to a large language model to create a visual question answering (VQA) system, achieving state-of-the-art zero-shot performance on multiple VQA benchmarks. Our experiments illustrate FlexCap’s utility for tasks including image labeling, object attribute recognition, and visual dialog. Project webpage: https://flex-cap.github.io.

Given a relational database (RDB), how can we predict missing column values in some target table of interest? Although RDBs store vast amounts of rich, informative data spread across interconnected tables, the progress of predictive machine learning models as applied to such tasks arguably falls well behind advances in other domains such as computer vision or natural language processing. This deficit stems, at least in part, from the lack of established/public RDB benchmarks as needed for training and evaluation purposes. As a result, related model development thus far often defaults to tabular approaches trained on ubiquitous single-table benchmarks, or on the relational side, graph-based alternatives such as GNNs applied to a completely different set of graph datasets devoid of tabular characteristics. To more precisely target RDBs lying at the nexus of these two complementary regimes, we explore a broad class of baseline models predicated on: (i) converting multi-table datasets into graphs using various strategies equipped with efficient subsampling, while preserving tabular characteristics; and (ii) trainable models with well-matched inductive biases that output predictions based on these input subgraphs. Then, to address the dearth of suitable public benchmarks and reduce siloed comparisons, we assemble a diverse collection of (i) large-scale RDB datasets and (ii) coincident predictive tasks. From a delivery standpoint, we operationalize the above four dimensions (4D) of exploration within a unified, scalable open-source toolbox called 4DBInfer; please see https://github.com/awslabs/multi-table-benchmark .

Recently, rapid advancements in Multi-Modal In-Context Learning (MM-ICL) have achieved notable success, which is capable of achieving superior performance across various tasks without requiring additional parameter tuning. However, the underlying rules for the effectiveness of MM-ICL remain under-explored. To fill this gap, this work aims to investigate the research question: "What factors affect the performance of MM-ICL?" To this end, we investigate extensive experiments on the three core steps of MM-ICL including demonstration retrieval, demonstration ordering, and prompt construction using 6 vision large language models and 20 strategies. Our findings highlight (1) the necessity of a multi-modal retriever for demonstration retrieval, (2) the importance of intra-demonstration ordering over inter-demonstration ordering, and (3) the enhancement of task comprehension through introductory instructions in prompts. We hope this study can serve as a foundational guide for optimizing MM-ICL strategies in future research.

The human brain encodes stimuli from the environment into representations that form a sensory perception of the world. Despite recent advances in understanding visual and auditory perception, olfactory perception remains an under-explored topic in the machine learning community due to the lack of large-scale datasets annotated with labels of human olfactory perception. In this work, we ask the question of whether pre-trained transformer models of chemical structures encode representations that are aligned with human olfactory perception, i.e., can transformers smell like humans? We demonstrate that representations encoded from transformers pre-trained on general chemical structures are highly aligned with human olfactory perception. We use multiple datasets and different types of perceptual representations to show that the representations encoded by transformer models are able to predict: (i) labels associated with odorants provided by experts; (ii) continuous ratings provided by human participants with respect to pre-defined descriptors; and (iii) similarity ratings between odorants provided by human participants. Finally, we evaluate the extent to which this alignment is associated with physicochemical features of odorants known to be relevant for olfactory decoding.

Surgical video-language pretraining (VLP) faces unique challenges due to the knowledge domain gap and the scarcity of multi-modal data. This study aims to bridge the gap by addressing issues regarding textual information loss in surgical lecture videos and the spatial-temporal challenges of surgical VLP. To tackle these issues, we propose a hierarchical knowledge augmentation approach and a novel Procedure-Encoded Surgical Knowledge-Augmented Video-Language Pretraining (PeskaVLP) framework. The proposed knowledge augmentation approach uses large language models (LLM) to refine and enrich surgical concepts, thus providing comprehensive language supervision and reducing the risk of overfitting. The PeskaVLP framework combines language supervision with visual self-supervision, constructing hard negative samples and employing a Dynamic Time Warping (DTW) based loss function to effectively comprehend the cross-modal procedural alignment. Extensive experiments on multiple public surgical scene understanding and cross-modal retrieval datasets show that our proposed method significantly improves zero-shot transferring performance and offers a generalist visual repre- sentation for further advancements in surgical scene understanding. The source code will be available at https://github.com/CAMMA-public/PeskaVLP.

Multimodal learning has developed very fast in recent years. However, during the multimodal training process, the model tends to rely on only one modality based on which it could learn faster, thus leading to inadequate use of other modalities. Existing methods to balance the training process always have some limitations on the loss functions, optimizers and the number of modalities and only consider modulating the magnitude of the gradients while ignoring the directions of the gradients. To solve these problems, in this paper, we present a novel method to balance multimodal learning with Classifier-Guided Gradient Modulation (CGGM), considering both the magnitude and directions of the gradients. We conduct extensive experiments on four multimodal datasets: UPMC-Food 101, CMU-MOSI, IEMOCAP and BraTS 2021, covering classification, regression and segmentation tasks. The results show that CGGM outperforms all the baselines and other state-of-the-art methods consistently, demonstrating its effectiveness and versatility. Our code is available at https://github.com/zrguo/CGGM.

Large Language Models (LLMs) have transformed natural language processing and extended their powerful capabilities to multi-modal domains. As LLMs continue to advance, it is crucial to develop diverse and appropriate metrics for their evaluation. In this paper, we introduce a novel rank-based metric, Diff-eRank, grounded in information theory and geometry principles. Diff-eRank assesses LLMs by analyzing their hidden representations, providing a quantitative measure of how efficiently they eliminate redundant information during training. We demonstrate the applicability of Diff-eRank in both single-modal (e.g., language) and multi-modal settings. For language models, our results show that Diff-eRank increases with model size and correlates well with conventional metrics such as loss and accuracy. In the multi-modal context, we propose an alignment evaluation method based on the eRank, and verify that contemporary multi-modal LLMs exhibit strong alignment performance based on our method. Our code is publicly available at https://github.com/waltonfuture/Diff-eRank.

Large vision-language models (VLLMs) exhibit promising capabilities for processing multi-modal tasks across various application scenarios. However, their emergence also raises significant data security concerns, given the potential inclusion of sensitive information, such as private photos and medical records, in their training datasets. Detecting inappropriately used data in VLLMs remains a critical and unresolved issue, mainly due to the lack of standardized datasets and suitable methodologies. In this study, we introduce the first membership inference attack (MIA) benchmark tailored for various VLLMs to facilitate training data detection. Then, we propose a novel MIA pipeline specifically designed for token-level image detection. Lastly, we present a new metric called MaxRényi-K%, which is based on the confidence of the model output and applies to both text and image data. We believe that our work can deepen the understanding and methodology of MIAs in the context of VLLMs. Our code and datasets are available at https://github.com/LIONS-EPFL/VL-MIA.

The Large Vision-Language Model (LVLM) field has seen significant advancements, yet its progression has been hindered by challenges in comprehending fine-grained visual content due to limited resolution. Recent efforts have aimed to enhance the high-resolution understanding capabilities of LVLMs, yet they remain capped at approximately 1500 $\times$ 1500 pixels and constrained to a relatively narrow resolution range. This paper represents InternLM-XComposer2-4KHD, a groundbreaking exploration into elevating LVLM resolution capabilities up to 4K HD (3840 × 1600) and beyond. Concurrently, considering the ultra-high resolution may not be necessary in all scenarios, it supports a wide range of diverse resolutions from 336 pixels to 4K standard, significantly broadening its scope of applicability. Specifically, this research advances the patch division paradigm by introducing a novel extension: dynamic resolution with automatic patch configuration. It maintains the training image aspect ratios while automatically varying patch counts and configuring layouts based on a pre-trained Vision Transformer (ViT) (336 $\times$ 336), leading to dynamic training resolution from 336 pixels to 4K standard. Our research demonstrates that scaling training resolution up to 4K HD leads to consistent performance enhancements without hitting the ceiling of potential improvements. InternLM-XComposer2-4KHD shows superb capability that matches or even surpasses GPT-4V and Gemini Pro in 10 of the 16 benchmarks.

The field of Multimodal Sentiment Analysis (MSA) has recently witnessed an emerging direction seeking to tackle the issue of data incompleteness. Recognizing that the language modality typically contains dense sentiment information, we consider it as the dominant modality and present an innovative Language-dominated Noise-resistant Learning Network (LNLN) to achieve robust MSA. The proposed LNLN features a dominant modality correction (DMC) module and dominant modality based multimodal learning (DMML) module, which enhances the model's robustness across various noise scenarios by ensuring the quality of dominant modality representations. Aside from the methodical design, we perform comprehensive experiments under random data missing scenarios, utilizing diverse and meaningful settings on several popular datasets (e.g., MOSI, MOSEI, and SIMS), providing additional uniformity, transparency, and fairness compared to existing evaluations in the literature. Empirically, LNLN consistently outperforms existing baselines, demonstrating superior performance across these challenging and extensive evaluation metrics.

Recent developments of vision large language models (LLMs) have seen remarkable progress, yet still encounter challenges towards multimodal generalists, such as coarse-grained instance-level understanding, lack of unified support for both images and videos, and insufficient coverage across various vision tasks. In this paper we present Vitron, a universal pixel-level vision LLM designed for comprehensive understanding, generating, segmenting, and editing of both static images and dynamic videos. Building on top of an LLM backbone, Vitron incorporates encoders for images, videos, and pixel-level regional visuals within its frontend modules, while employing state-of-the-art visual specialists as its backend, via which Vitron supports a spectrum of vision end tasks, spanning visual comprehension to visual generation, from low level to high level. To ensure an effective and precise message passing from LLM to backend modules for function invocation, we propose a novel hybrid method by simultaneously integrating discrete textual instructions and continuous signal embeddings. Further, we design various pixel-level spatiotemporal vision-language alignment learning for Vitron to reach the best fine-grained visual capability. Finally, a cross-task synergy module is advised to learn to maximize the task-invariant fine-grained visual features, enhancing the synergy between different visual tasks. Demonstrated over 12 visual tasks and evaluated across 22 datasets, Vitron showcases its extensive capabilities in the four main vision task clusters. Overall, this work illuminates the great potential of developing a more unified multimodal generalist.

Test-time adaptation, which enables models to generalize to diverse data with unlabeled test samples, holds significant value in real-world scenarios. Recently, researchers have applied this setting to advanced pre-trained vision-language models (VLMs), developing approaches such as test-time prompt tuning to further extend their practical applicability. However, these methods typically focus solely on adapting VLMs from a single modality and fail to accumulate task-specific knowledge as more samples are processed. To address this, we introduce Dual Prototype Evolving (DPE), a novel test-time adaptation approach for VLMs that effectively accumulates task-specific knowledge from multi-modalities. Specifically, we create and evolve two sets of prototypes—textual and visual—to progressively capture more accurate multi-modal representations for target classes during test time. Moreover, to promote consistent multi-modal representations, we introduce and optimize learnable residuals for each test sample to align the prototypes from both modalities. Extensive experimental results on 15 benchmark datasets demonstrate that our proposed DPE consistently outperforms previous state-of-the-art methods while also exhibiting competitive computational efficiency.

Recent advancements in models linking natural language with human motions have shown significant promise in motion generation and editing based on instructional text. Motivated by applications in sports coaching and motor skill learning, we investigate the inverse problem: generating corrective instructional text, leveraging motion editing and generation models. We introduce a novel approach that, given a user’s current motion (source) and the desired motion (target), generates text instructions to guide the user towards achieving the target motion. We leverage large language models to generate corrective texts and utilize existing motion generation and editing frameworks to compile datasets of triplets (source motion, target motion, and corrective text). Using this data, we propose a new motion-language model for generating corrective instructions. We present both qualitative and quantitative results across a diverse range of applications that largely improve upon baselines. Our approach demonstrates its effectiveness in instructional scenarios, offering text-based guidance to correct and enhance user performance.

Large Multi-modal Models (LMMs) have recently demonstrated remarkable abilities in visual context understanding and coherent response generation. However, alongside these advancements, the issue of hallucinations has emerged as a significant challenge, producing erroneous responses that are unrelated to the visual contents. In this paper, we introduce a novel contrastive-based decoding method, COuntering DEscription Contrastive Decoding (CODE), which leverages self-generated descriptions as contrasting references during the decoding phase of LMMs to address hallucination issues. CODE utilizes the comprehensive descriptions from model itself as visual counterpart to correct and improve response alignment with actual visual content. By dynamically adjusting the information flow and distribution of next-token predictions in the LMM's vocabulary, CODE enhances the coherence and informativeness of generated responses. Extensive experiments demonstrate that our method significantly reduces hallucinations and improves cross-modal consistency across various benchmarks and cutting-edge LMMs. Our method provides a simple yet effective decoding strategy that can be integrated to existing LMM frameworks without additional training.

Image deep features extracted by pre-trained networks are known to contain rich and informative representations. In this paper, we present Deep Degradation Response (DDR), a method to quantify changes in image deep features under varying degradation conditions. Specifically, our approach facilitates flexible and adaptive degradation, enabling the controlled synthesis of image degradation through text-driven prompts. Extensive evaluations demonstrate the versatility of DDR as an image descriptor, with strong correlations observed with key image attributes such as complexity, colorfulness, sharpness, and overall quality. Moreover, we demonstrate the efficacy of DDR across a spectrum of applications. It excels as a blind image quality assessment metric, outperforming existing methodologies across multiple datasets. Additionally, DDR serves as an effective unsupervised learning objective in image restoration tasks, yielding notable advancements in image deblurring and single-image super-resolution. Our code is available at: https://github.com/eezkni/DDR.

We study the optimal memorization capacity of modern Hopfield models and Kernelized Hopfield Models (KHMs), a transformer-compatible class of Dense Associative Memories.We present a tight analysis by establishing a connection between the memory configuration of KHMs and spherical codes from information theory. Specifically, we treat the stored memory set as a specialized spherical code.This enables us to cast the memorization problem in KHMs into a point arrangement problem on a hypersphere.We show that the optimal capacity of KHMs occurs when the feature space allows memories to form an optimal spherical code.This unique perspective leads to: 1. An analysis of how KHMs achieve optimal memory capacity, and identify corresponding necessary conditions. Importantly, we establish an upper capacity bound that matches the well-known exponential lower bound in the literature. This provides the first tight and optimal asymptotic memory capacity for modern Hopfield models.2. A sub-linear time algorithm $\mathtt{U}\text{-}\mathtt{Hop}$+ to reach KHMs' optimal capacity. 3. An analysis of the scaling behavior of the required feature dimension relative to the number of stored memories.These efforts improve both the retrieval capability of KHMs and the representation learning of corresponding transformers.Experimentally, we provide thorough numerical results to back up theoretical findings.

Hippocampal place cells are known for their spatially selective firing patterns, which has led to the suggestion that they encode an animal's location. However, place cells also respond to contextual cues, such as smell. Furthermore, they have the ability to remap, wherein the firing fields and rates of cells change in response to changes in the environment. How place cell responses emerge, and how these representations remap is not fully understood. In this work, we propose a similarity-based objective function that translates proximity in space, to proximity in representation. We show that a neural network trained to minimize the proposed objective learns place-like representations. We also show that the proposed objective is easily extended to include other sources of information, such as context information, in the same way. When trained to encode multiple contexts, networks learn distinct representations, exhibiting remapping behaviors between contexts. The proposed objective is invariant to orthogonal transformations. Such transformations of the original trained representation (e.g. rotations), therefore yield new representations distinct from the original, without explicit relearning, akin to remapping. Our findings shed new light on the formation and encoding properties of place cells, and also demonstrate an interesting case of representational reuse.

Self-assessment of one’s choices, i.e., confidence, is the topic of many decision neuroscience studies. Computational models of confidence, however, are limited to specific scenarios such as between choices with the same value. Here we present a normative framework for modeling decision confidence that is generalizable to various tasks and experimental setups. We further drive the implications of our model from both theoretical and experimental points of view. Specifically, we show that our model maps to the planning as an inference framework where the objective function is maximizing the gained reward and information entropy of the policy. Moreover, we validate our model on two different psychophysics experiments and show its superiority over other approaches in explaining subjects' confidence reports.

Do machines and humans process language in similar ways? Recent research has hinted at the affirmative, showing that human neural activity can be effectively predicted using the internal representations of language models (LMs). Although such results are thought to reflect shared computational principles between LMs and human brains, there are also clear differences in how LMs and humans represent and use language. In this work, we systematically explore the divergences between human and machine language processing by examining the differences between LM representations and human brain responses to language as measured by Magnetoencephalography (MEG) across two datasets in which subjects read and listened to narrative stories. Using an LLM-based data-driven approach, we identify two domains that LMs do not capture well: social/emotional intelligence and physical commonsense. We validate these findings with human behavioral experiments and hypothesize that the gap is due to insufficient representations of social/emotional and physical knowledge in LMs. Our results show that fine-tuning LMs on these domains can improve their alignment with human brain responses.

We give a model of how to infer natural language rules by doing experiments. Themodel integrates Large Language Models (LLMs) with Monte Carlo algorithms forprobabilistic inference, interleaving online belief updates with experiment designunder information-theoretic criteria. We conduct a human-model comparison on aZendo-style task, finding that a critical ingredient for modeling the human data is toassume that humans also consider fuzzy, probabilistic rules, in addition to assumingthat humans perform approximately-Bayesian belief updates. We also comparewith recent algorithms for using LLMs to generate and revise hypotheses, findingthat our online inference method yields higher accuracy at recovering the trueunderlying rule, and provides better support for designing optimal experiments.

A core aim in theoretical and systems neuroscience is to develop models which help us better understand biological intelligence. Such models range broadly in both complexity and biological plausibility. One widely-adopted example is task-optimized recurrent neural networks (RNNs), which have been used to generate hypotheses about how the brain’s neural dynamics may organize to accomplish tasks. However, task-optimized RNNs typically have a fixed weight matrix representing the synaptic connectivity between neurons. From decades of neuroscience research, we know that synaptic weights are constantly changing, controlled in part by chemicals such as neuromodulators. In this work we explore the computational implications of synaptic gain scaling, a form of neuromodulation, using task-optimized low-rank RNNs.In our neuromodulated RNN (NM-RNN) model, a neuromodulatory subnetwork outputs a low-dimensional neuromodulatory signal that dynamically scales the low-rank recurrent weights of an output-generating RNN. In empirical experiments, we find that the structured flexibility in the NM-RNN allows it to both train and generalize with a higher degree of accuracy than low-rank RNNs on a set of canonical tasks.Additionally, via theoretical analyses we show how neuromodulatory gain scaling endows networks with gating mechanisms commonly found in artificial RNNs. We end by analyzing the low-rank dynamics of trained NM-RNNs, to show how task computations are distributed.

We propose a normative model for spatial representation in the hippocampal formation that combines optimality principles, such as maximizing coding range and spatial information per neuron, with an algebraic framework for computing in distributed representation. Spatial position is encoded in a residue number system, with individual residues represented by high-dimensional, complex-valued vectors. These are composed into a single vector representing position by a similarity-preserving, conjunctive vector-binding operation. Self-consistency between the vectors representing position and the individual residues is enforced by a modular attractor network whose modules correspond to the grid cell modules in entorhinal cortex. The vector binding operation can also be used to bind different contexts to spatial representations, yielding a model for entorhinal cortex and hippocampus. We provide model analysis of scaling, similarity preservation and convergence behavior as well as experiments demonstrating noise robustness, sub-integer resolution in representing position, and path integration. The model formalizes the computations in the cognitive map and makes testable experimental predictions.

Recent work has documented striking heterogeneity in the performance of state-of-the-art vision language models (VLMs), including both multimodal language models and text-to-image models. These models are able to describe and generate a diverse array of complex, naturalistic images, yet they exhibit surprising failures on basic multi-object reasoning tasks -- such as counting, localization, and simple forms of visual analogy -- that humans perform with near perfect accuracy. To better understand this puzzling pattern of successes and failures, we turn to theoretical accounts of the binding problem in cognitive science and neuroscience, a fundamental problem that arises when a shared set of representational resources must be used to represent distinct entities (e.g., to represent multiple objects in an image), necessitating the use of serial processing to avoid interference. We find that many of the puzzling failures of state-of-the-art VLMs can be explained as arising due to the binding problem, and that these failure modes are strikingly similar to the limitations exhibited by rapid, feedforward processing in the human brain.

The information processing in the brain and embodied agents form a sensory-action loop to interact with the world. An important step in the loop is motion planning which selects motor actions based on the current world state and task need. In goal-directed navigation, the brain chooses and generates motor actions to bring the current state into the goal state. It is unclear about the neural circuit mechanism of motor action selection, nor its underlying theory. The present study formulates the motion planning as a Lie group operator search problem, and uses the 1D rotation group as an example to provide insight into general operator search in neural circuits. We found the abstract group operator search can be implemented by a two-layer feedforward circuit utilizing circuit motifs of connection phase shift, nonlinear activation function, and pooling, similar to Drosophila's goal-directed navigation neural circuits. And the computational complexity of the feedforward circuit can be even lower than common signal processing algorithms in certain conditions. We also provide geometric interpretations of circuit computation in the group representation space. The feedforward motion planning circuit is further combined with sensory and motor circuit modules into a full circuit of the sensory-action loop implementing goal-directed navigation. Our work for the first time links the abstract operator search with biological neural circuits.

Spiking neural networks (SNNs) have gained more and more interest as one of the energy-efficient alternatives of conventional artificial neural networks (ANNs). They exchange 0/1 spikes for processing information, thus most of the multiplications in networks can be replaced by additions. However, binary spike feature maps will limit the expressiveness of the SNN and result in unsatisfactory performance compared with ANNs. It is shown that a rich output feature representation, i.e., the feature vector before classifier) is beneficial to training an accurate model in ANNs for classification. We wonder if it also does for SNNs and how to improve the feature representation of the SNN.To this end, we materialize this idea in two special designed methods for SNNs.First, inspired by some ANN-SNN methods that directly copy-paste the weight parameters from trained ANN with light modification to homogeneous SNN can obtain a well-performed SNN, we use rich information of the weight parameters from the trained ANN counterpart to guide the feature representation learning of the SNN. In particular, we present the SNN's and ANN's feature representation from the same input to ANN's classifier to product SNN's and ANN's outputs respectively and then align the feature with the KL-divergence loss as in knowledge distillation methods, called L_ AF loss.It can be seen as a novel and effective knowledge distillation method specially designed for the SNN that comes from both the knowledge distillation and ANN-SNN methods. Various ablation study shows that the L_AF loss is more powerful than the vanilla knowledge distillation method.Second, we replace the last Leaky Integrate-and-Fire (LIF) activation layer as the ReLU activation layer to generate the output feature, thus a more powerful SNN with full-precision feature representation can be achieved but with only a little extra computation.Experimental results show that our method consistently outperforms the current state-of-the-art algorithms on both popular non-spiking static and neuromorphic datasets. We provide an extremely simple but effective way to train high-accuracy spiking neural networks.

Time-varying linear state-space models are powerful tools for obtaining mathematically interpretable representations of neural signals. For example, switching and decomposed models describe complex systems using latent variables that evolve according to simple locally linear dynamics. However, existing methods for latent variable estimation are not robust to dynamical noise and system nonlinearity due to noise-sensitive inference procedures and limited model formulations. This can lead to inconsistent results on signals with similar dynamics, limiting the model's ability to provide scientific insight. In this work, we address these limitations and propose a probabilistic approach to latent variable estimation in decomposed models that improves robustness against dynamical noise. Additionally, we introduce an extended latent dynamics model to improve robustness against system nonlinearities. We evaluate our approach on several synthetic dynamical systems, including an empirically-derived brain-computer interface experiment, and demonstrate more accurate latent variable inference in nonlinear systems with diverse noise conditions. Furthermore, we apply our method to a real-world clinical neurophysiology dataset, illustrating the ability to identify interpretable and coherent structure where previous models cannot.

As part of the effort to understand how the brain learns, ongoing research seeks to combine biological knowledge with current artificial intelligence (AI) modeling in an attempt to find an efficient biologically plausible learning scheme. Current models often use a cortical-like combination of bottom-up (BU) and top-down (TD) processing, where the TD part carries feedback signals for learning. However, in the visual cortex, the TD pathway plays a second major role in visual attention, by guiding the visual process toward locations and tasks of interest. A biological model should therefore integrate both learning and visual guidance. We introduce a model that uses a cortical-like combination of BU and TD processing that naturally integrates the two major functions of the TD stream. This integration is achieved through an appropriate connectivity pattern between the BU and TD streams, a novel processing cycle that uses the TD stream twice, and a 'Counter-Hebb' learning mechanism that operates across both streams. We show that the 'Counter-Hebb' mechanism can provide an exact backpropagation synaptic modification. Additionally, our model can effectively guide the visual stream to perform a task of interest, achieving competitive performance on standard multi-task learning benchmarks compared to AI models. The successful combination of learning and visual guidance could provide a new view on combining BU and TD processing in human vision and suggests possible directions for both biologically plausible models and artificial instructed models, such as vision-language models (VLMs).

In this paper, we explores the expressivity and trainability of the Fourier Neural Operator (FNO). We establish a mean-field theory for the FNO, analyzing the behavior of the random FNO from an \emph{edge of chaos} perspective. Our investigation into the expressivity of a random FNO involves examining the ordered-chaos phase transition of the network based on the weight distribution. This phase transition demonstrates characteristics unique to the FNO, induced by mode truncation, while also showcasing similarities to those of densely connected networks. Furthermore, we identify a connection between expressivity and trainability: the ordered and chaotic phases correspond to regions of vanishing and exploding gradients, respectively. This finding provides a practical prerequisite for the stable training of the FNO. Our experimental results corroborate our theoretical findings.

The Neural Tangent Kernel (NTK) viewpoint is widely employed to analyze the training dynamics of overparameterized Physics-Informed Neural Networks (PINNs). However, unlike the case of linear Partial Differential Equations (PDEs), we show how the NTK perspective falls short in the nonlinear scenario. Specifically, we establish that the NTK yields a random matrix at initialization that is not constant during training, contrary to conventional belief. Another significant difference from the linear regime is that, even in the idealistic infinite-width limit, the Hessian does not vanish and hence it cannot be disregarded during training. This motivates the adoption of second-order optimization methods. We explore the convergence guarantees of such methods in both linear and nonlinear cases, addressing challenges such as spectral bias and slow convergence. Every theoretical result is supported by numerical examples with both linear and nonlinear PDEs, and we highlight the benefits of second-order methods in benchmark test cases.

Quantum Approximate Optimization Algorithm (QAOA) and its variants exhibit immense potential in tackling combinatorial optimization challenges. However, their practical realization confronts a dilemma: the requisite circuit depth for satisfactory performance is problem-specific and often exceeds the maximum capability of current quantum devices. To address this dilemma, here we first analyze the convergence behavior of QAOA, uncovering the origins of this dilemma and elucidating the intricate relationship between the employed mixer Hamiltonian, the specific problem at hand, and the permissible maximum circuit depth. Harnessing this understanding, we introduce the Mixer Generator Network (MG-Net), a unified deep learning framework adept at dynamically formulating optimal mixer Hamiltonians tailored to distinct tasks and circuit depths. Systematic simulations, encompassing Ising models and weighted Max-Cut instances with up to 64 qubits, substantiate our theoretical findings, highlighting MG-Net's superior performance in terms of both approximation ratio and efficiency.

Current approaches using sequential networks have shown promise in estimating field variables for dynamical systems, but they are often limited by high rollout errors. The unresolved issue of rollout error accumulation results in unreliable estimations as the network predicts further into the future, with each step's error compounding and leading to an increase in inaccuracy. Here, we introduce the State-Exchange Attention (SEA) module, a novel transformer-based module enabling information exchange between encoded fields through multi-head cross-attention. The cross-field multidirectional information exchange design enables all state variables in the system to exchange information with one another, capturing physical relationships and symmetries between fields. Additionally, we introduce an efficient ViT-like mesh autoencoder to generate spatially coherent mesh embeddings for a large number of meshing cells. The SEA integrated transformer demonstrates the state-of-the-art rollout error compared to other competitive baselines. Specifically, we outperform PbGMR-GMUS Transformer-RealNVP and GMR-GMUS Transformer, with a reduction in error of 88% and 91%, respectively. Furthermore, we demonstrate that the SEA module alone can reduce errors by 97% for state variables that are highly dependent on other states of the system. The repository for this work is available at: https://github.com/ParsaEsmati/SEA

Learning-based simulators show great potential for simulating particle dynamics when 3D groundtruth is available, but per-particle correspondences are not always accessible. The development of neural rendering presents a new solution to this field to learn 3D dynamics from 2D images by inverse rendering. However, existing approaches still suffer from ill-posed natures resulting from the 2D to 3D uncertainty, for example, specific 2D images can correspond with various 3D particle distributions. To mitigate such uncertainty, we consider a conventional, mechanically interpretable framework as the physical priors and extend it to a learning-based version. In brief, we incorporate the learnable graph kernels into the classic Discrete Element Analysis (DEA) framework to implement a novel mechanics-informed network architecture. In this case, the graph networks are only used for approximating some specific mechanical operators in the DEA framework rather than the whole dynamics mapping. By integrating the strong physics priors, our methods can effectively learn the dynamics of various materials from the partial 2D observations in a unified manner. Experiments show that our approach outperforms other learned simulators by a large margin in this context and is robust to different renderers, fewer training samples, and fewer camera views.

The spatio-temporal relations of impacts of extreme events and their drivers in climate data are not fully understood and there is a need of machine learning approaches to identify such spatio-temporal relations from data. The task, however, is very challenging since there are time delays between extremes and their drivers, and the spatial response of such drivers is inhomogeneous. In this work, we propose a first approach and benchmarks to tackle this challenge. Our approach is trained end-to-end to predict spatio-temporally extremes and spatio-temporally drivers in the physical input variables jointly. By enforcing the network to predict extremes from spatio-temporal binary masks of identified drivers, the network successfully identifies drivers that are correlated with extremes. We evaluate our approach on three newly created synthetic benchmarks, where two of them are based on remote sensing or reanalysis climate data, and on two real-world reanalysis datasets. The source code and datasets are publicly available at the project page https://hakamshams.github.io/IDE.

Analyzing the motion of multiple biological agents, be it cells or individual animals, is pivotal for the understanding of complex collective behaviors. With the advent of advanced microscopy, detailed images of complex tissue formations involving multiple cell types have become more accessible in recent years. However, deciphering the underlying rules that govern cell movements is far from trivial. Here, we present a novel deep learning framework for estimating the underlying equations of motion from observed trajectories, a pivotal step in decoding such complex dynamics. Our framework integrates graph neural networks with neural differential equations, enabling effective prediction of two-body interactions based on the states of the interacting entities. We demonstrate the efficacy of our approach through two numerical experiments. First, we used simulated data from a toy model to tune the hyperparameters. Based on the obtained hyperparameters, we then applied this approach to a more complex model with non-reciprocal forces that mimic the collective dynamics of the cells of slime molds. Our results show that the proposed method can accurately estimate the functional forms of two-body interactions -- even when they are nonreciprocal -- thereby precisely replicating both individual and collective behaviors within these systems.

Solving complex Partial Differential Equations (PDEs) accurately and efficiently is an essential and challenging problem in all scientific and engineering disciplines. Mesh movement methods provide the capability to improve the accuracy of the numerical solution without increasing the overall mesh degree of freedom count. Conventional sophisticated mesh movement methods are extremely expensive and struggle to handle scenarios with complex boundary geometries. However, existing learning-based methods require re-training from scratch given a different PDE type or boundary geometry, which limits their applicability, and also often suffer from robustness issues in the form of inverted elements. In this paper, we introduce the Universal Mesh Movement Network (UM2N), which -- once trained -- can be applied in a non-intrusive, zero-shot manner to move meshes with different size distributions and structures, for solvers applicable to different PDE types and boundary geometries. UM2N consists of a Graph Transformer (GT) encoder for extracting features and a Graph Attention Network (GAT) based decoder for moving the mesh. We evaluate our method on advection and Navier-Stokes based examples, as well as a real-world tsunami simulation case. Our method out-performs existing learning-based mesh movement methods in terms of the benchmarks described above. In comparison to the conventional sophisticated Monge-Ampère PDE-solver based method, our approach not only significantly accelerates mesh movement, but also proves effective in scenarios where the conventional method fails. Our project page can be found at https://erizmr.github.io/UM2N/.

With the advantages of low latency, low power consumption, and high parallelism, optical neural networks (ONN) offer a promising solution for time-sensitive and resource-limited artificial intelligence applications. However, the performance of the ONN model is often diminished by the gap between the ideal simulated system and the actual physical system. To bridge the gap, this work conducts extensive experiments to investigate systematic errors in the optical physical system within the context of image classification tasks. Through our investigation, two quantifiable errors—light source instability and exposure time mismatches—significantly impact the prediction performance of ONN. To address these systematic errors, a physics-constrained ONN learning framework is constructed, including a well designed loss function to mitigate the effect of light fluctuations, a CCD adjustment strategy to alleviate the effects of exposure time mismatches and a ’physics-prior based’ error compensation network to manage other systematic errors, ensuring consistent light intensity across experimental results and simulations. In our experiments, the proposed method achieved a test classification accuracy of 96.5% on the MNIST dataset, a substantial improvement over the 61.6% achieved with the original ONN. For the more challenging QuickDraw16 and Fashion MNIST datasets, experimental accuracy improved from 63.0% to 85.7% and from 56.2% to 77.5%, respectively. Moreover, the comparison results further demonstrate the effectiveness of the proposed physics-constrained ONN learning framework over state-of-the-art ONN approaches. This lays the groundwork for more robust and precise optical computing applications.

Natural behaviors, even stereotyped ones, exhibit variability. Despite its role in exploring and learning, the function and neural basis of this variability is still not well understood. Given the coupling between neural activity and behavior, we ask what type of neural variability does not compromise behavioral performance. While previous studies typically curtail variability to allow for high task performance in neural networks, our approach takes the reversed perspective. We investigate how to generate maximal neural variability while at the same time having high network performance. To do so, we extend to neural activity the maximum occupancy principle (MOP) developed for behavior, and refer to this new neural principle as NeuroMOP. NeuroMOP posits that the goal of the nervous system is to maximize future action-state entropy, a reward-free, intrinsic motivation that entails creating all possible activity patterns while avoiding terminal or dangerous ones.We show that this goal can be achieved through a neural network controller that injects currents (actions) into a recurrent neural network of fixed random weights to maximize future cumulative action-state entropy. High activity variability can be induced while adhering to an energy constraint or while avoiding terminal states defined by specific neurons' activities, also in a context-dependent manner. The network solves these tasks by flexibly switching between stochastic and deterministic modes as needed and projecting noise onto a null space. Based on future maximum entropy production, NeuroMOP contributes to a novel theory of neural variability that reconciles stochastic and deterministic behaviors within a single framework.

Recent insights have revealed that rate-coding is a primary form of information representation captured by surrogate-gradient-based Backpropagation Through Time (BPTT) in training deep Spiking Neural Networks (SNNs). Motivated by these findings, we propose rate-based backpropagation, a training strategy specifically designed to exploit rate-based representations to reduce the complexity of BPTT. Our method minimizes reliance on detailed temporal derivatives by focusing on averaged dynamics, streamlining the computational graph to reduce memory and computational demands of SNNs training. We substantiate the rationality of the gradient approximation between BPTT and the proposed method through both theoretical analysis and empirical observations. Comprehensive experiments on CIFAR-10, CIFAR-100, ImageNet, and CIFAR10-DVS validate that our method achieves comparable performance to BPTT counterparts, and surpasses state-of-the-art efficient training techniques. By leveraging the inherent benefits of rate-coding, this work sets the stage for more scalable and efficient SNNs training within resource-constrained environments.

Spiking neural networks (SNNs) represent a promising approach to developing artificial neural networks that are both energy-efficient and biologically plausible.However, applying SNNs to sequential tasks, such as text classification and time-series forecasting, has been hindered by the challenge of creating an effective and hardware-friendly spike-form positional encoding (PE) strategy.Drawing inspiration from the central pattern generators (CPGs) in the human brain, which produce rhythmic patterned outputs without requiring rhythmic inputs, we propose a novel PE technique for SNNs, termed CPG-PE.We demonstrate that the commonly used sinusoidal PE is mathematically a specific solution to the membrane potential dynamics of a particular CPG.Moreover, extensive experiments across various domains, including time-series forecasting, natural language processing, and image classification, show that SNNs with CPG-PE outperform their conventional counterparts.Additionally, we perform analysis experiments to elucidate the mechanism through which SNNs encode positional information and to explore the function of CPGs in the human brain.This investigation may offer valuable insights into the fundamental principles of neural computation.

We introduce a general framework for solving partial differential equations (PDEs) using generative diffusion models. In particular, we focus on the scenarios where we do not have the full knowledge of the scene necessary to apply classical solvers. Most existing forward or inverse PDE approaches perform poorly when the observations on the data or the underlying coefficients are incomplete, which is a common assumption for real-world measurements. In this work, we propose DiffusionPDE that can simultaneously fill in the missing information and solve a PDE by modeling the joint distribution of the solution and coefficient spaces. We show that the learned generative priors lead to a versatile framework for accurately solving a wide range of PDEs under partial observation, significantly outperforming the state-of-the-art methods for both forward and inverse directions.

Expectation propagation (EP) is a family of algorithms for performing approximate inference in probabilistic models. The updates of EP involve the evaluation of moments—expectations of certain functions—which can be estimated from Monte Carlo (MC) samples. However, the updates are not robust to MC noise when performed naively, and various prior works have attempted to address this issue in different ways. In this work, we provide a novel perspective on the moment-matching updates of EP; namely, that they perform natural-gradient-based optimisation of a variational objective. We use this insight to motivate two new EP variants, with updates that are particularly well-suited to MC estimation. They remain stable and are most sample-efficient when estimated with just a single sample. These new variants combine the benefits of their predecessors and address key weaknesses. In particular, they are easier to tune, offer an improved speed-accuracy trade-off, and do not rely on the use of debiasing estimators. We demonstrate their efficacy on a variety of probabilistic inference tasks.

Estimating and disentangling epistemic uncertainty, uncertainty that is reducible with more training data, and aleatoric uncertainty, uncertainty that is inherent to the task at hand, is critically important when applying machine learning to high-stakes applications such as medical imaging and weather forecasting. Conditional diffusion models' breakthrough ability to accurately and efficiently sample from the posterior distribution of a dataset now makes uncertainty estimation conceptually straightforward: One need only train and sample from a large ensemble of diffusion models. Unfortunately, training such an ensemble becomes computationally intractable as the complexity of the model architecture grows. In this work we introduce a new approach to ensembling, hyper-diffusion models (HyperDM), which allows one to accurately estimate both epistemic and aleatoric uncertainty with a single model. Unlike existing single-model uncertainty methods like Monte-Carlo dropout and Bayesian neural networks, HyperDM offers prediction accuracy on par with, and in some cases superior to, multi-model ensembles. Furthermore, our proposed approach scales to modern network architectures such as Attention U-Net and yields more accurate uncertainty estimates compared to existing methods. We validate our method on two distinct real-world tasks: x-ray computed tomography reconstruction and weather temperature forecasting.

We present an optimal method for encoding cluster assignments of arbitrary data sets. Our method, Random Cycle Coding (RCC), encodes data sequentially and sends assignment information as cycles of the permutation defined by the order of encoded elements. RCC does not require any training and its worst-case complexity scales quasi-linearly with the size of the largest cluster. We characterize the achievable bit rates as a function of cluster sizes and number of elements, showing RCC consistently outperforms previous methods while requiring less compute and memory resources. Experiments show RCC can save up to $2$ bytes per element when applied to vector databases, and removes the need for assigning integer ids to identify vectors, translating to savings of up to $70\%$ in vector database systems for similarity search applications.

Determinantal point processes (DPPs) are random configurations of points with tunable negative dependence. Because sampling is tractable, DPPs are natural candidates for subsampling tasks, such as minibatch selection or coreset construction. A \emph{coreset} is a subset of a (large) training set, such that minimizing an empirical loss averaged over the coreset is a controlled replacement for the intractable minimization of the original empirical loss.Typically, the control takes the form of a guarantee that the average loss over the coreset approximates the total loss uniformly across the parameter space.Recent work has provided significant empirical support in favor of using DPPs to build randomized coresets, coupled with interesting theoretical results that are suggestive but leave some key questions unanswered.In particular, the central question of whether the cardinality of a DPP-based coreset is fundamentally smaller than one based on independent sampling remained open.In this paper, we answer this question in the affirmative, demonstrating that \emph{DPPs can provably outperform independently drawn coresets}. In this vein, we contribute a conceptual understanding of coreset loss as a \emph{linear statistic} of the (random) coreset. We leverage this structural observation to connect the coresets problem to a more general problem of concentration phenomena for linear statistics of DPPs, wherein we obtain \emph{effective concentration inequalities that extend well-beyond the state-of-the-art}, encompassing general non-projection, even non-symmetric kernels. The latter have been recently shown to be of interest in machine learning beyond coresets, but come with a limited theoretical toolbox, to the extension of which our result contributes. Finally, we are also able to address the coresets problem for vector-valued objective functions, a novelty in the coresets literature.

Understanding how the collective activity of neural populations relates to computation and ultimately behavior is a key goal in neuroscience. To this end, statistical methods which describe high-dimensional neural time series in terms of low-dimensional latent dynamics have played a fundamental role in characterizing neural systems. Yet, what constitutes a successful method involves two opposing criteria: (1) methods should be expressive enough to capture complex nonlinear dynamics, and (2) they should maintain a notion of interpretability often only warranted by simpler linear models. In this paper, we develop an approach that balances these two objectives: the Gaussian Process Switching Linear Dynamical System (gpSLDS). Our method builds on previous work modeling the latent state evolution via a stochastic differential equation whose nonlinear dynamics are described by a Gaussian process (GP-SDEs). We propose a novel kernel function which enforces smoothly interpolated locally linear dynamics, and therefore expresses flexible -- yet interpretable -- dynamics akin to those of recurrent switching linear dynamical systems (rSLDS). Our approach resolves key limitations of the rSLDS such as artifactual oscillations in dynamics near discrete state boundaries, while also providing posterior uncertainty estimates of the dynamics. To fit our models, we leverage a modified learning objective which improves the estimation accuracy of kernel hyperparameters compared to previous GP-SDE fitting approaches. We apply our method to synthetic data and data recorded in two neuroscience experiments and demonstrate favorable performance in comparison to the rSLDS.

This paper introduces a novel prior called Diversified Block Sparse Prior to characterize the widespread block sparsity phenomenon in real-world data. By allowing diversification on intra-block variance and inter-block correlation matrices, we effectively address the sensitivity issue of existing block sparse learning methods to pre-defined block information, which enables adaptive block estimation while mitigating the risk of overfitting. Based on this, a diversified block sparse Bayesian learning method (DivSBL) is proposed, utilizing EM algorithm and dual ascent method for hyperparameter estimation. Moreover, we establish the global and local optimality theory of our model. Experiments validate the advantages of DivSBL over existing algorithms.

Agent-based models (ABMs) are proliferating as decision-making tools across policy areas in transportation, economics, and epidemiology. In these models, a central object of interest is the discrete origin-destination matrix which captures spatial interactions and agent trip counts between locations. Existing approaches resort to continuous approximations of this matrix and subsequent ad-hoc discretisations in order to perform ABM simulation and calibration. This impedes conditioning on partially observed summary statistics, fails to explore the multimodal matrix distribution over a discrete combinatorial support, and incurs discretisation errors. To address these challenges, we introduce a computationally efficient framework that scales linearly with the number of origin-destination pairs, operates directly on the discrete combinatorial space, and learns the agents' trip intensity through a neural differential equation that embeds spatial interactions. Our approach outperforms the prior art in terms of reconstruction error and ground truth matrix coverage, at a fraction of the computational cost. We demonstrate these benefits in two large-scale spatial mobility ABMs in Washington, DC and Cambridge, UK.

Computer simulations have long presented the exciting possibility of scientific insight into complex real-world processes. Despite the power of modern computing, however, it remains challenging to systematically perform inference under simulation models. This has led to the rise of simulation-based inference (SBI), a class of machine learning-enabled techniques for approaching inverse problems with stochastic simulators. Many such methods, however, require large numbers of simulation samples and face difficulty scaling to high-dimensional settings, often making inference prohibitive under resource-intensive simulators. To mitigate these drawbacks, we introduce active sequential neural posterior estimation (ASNPE). ASNPE brings an active learning scheme into the inference loop to estimate the utility of simulation parameter candidates to the underlying probabilistic model. The proposed acquisition scheme is easily integrated into existing posterior estimation pipelines, allowing for improved sample efficiency with low computational overhead. We further demonstrate the effectiveness of the proposed method in the travel demand calibration setting, a high-dimensional inverse problem commonly requiring computationally expensive traffic simulators. Our method outperforms well-tuned benchmarks and state-of-the-art posterior estimation methods on a large-scale real-world traffic network, as well as demonstrates a performance advantage over non-active counterparts on a suite of SBI benchmark environments.

Bayesian optimization is a technique for efficiently optimizing unknown functions in a black-box manner. To handle practical settings where gathering data requires use of finite resources, it is desirable to explicitly incorporate function evaluation costs into Bayesian optimization policies. To understand how to do so, we develop a previously-unexplored connection between cost-aware Bayesian optimization and the Pandora's Box problem, a decision problem from economics. The Pandora's Box problem admits a Bayesian-optimal solution based on an expression called the Gittins index, which can be reinterpreted as an acquisition function. We study the use of this acquisition function for cost-aware Bayesian optimization, and demonstrate empirically that it performs well, particularly in medium-high dimensions. We further show that this performance carries over to classical Bayesian optimization without explicit evaluation costs. Our work constitutes a first step towards integrating techniques from Gittins index theory into Bayesian optimization.

Diffusion models (DMs) have recently shown outstanding capabilities in modeling complex image distributions, making them expressive image priors for solving Bayesian inverse problems. However, most existing DM-based methods rely on approximations in the generative process to be generic to different inverse problems, leading to inaccurate sample distributions that deviate from the target posterior defined within the Bayesian framework. To harness the generative power of DMs while avoiding such approximations, we propose a Markov chain Monte Carlo algorithm that performs posterior sampling for general inverse problems by reducing it to sampling the posterior of a Gaussian denoising problem. Crucially, we leverage a general DM formulation as a unified interface that allows for rigorously solving the denoising problem with a range of state-of-the-art DMs. We demonstrate the effectiveness of the proposed method on six inverse problems (three linear and three nonlinear), including a real-world black hole imaging problem. Experimental results indicate that our proposed method offers more accurate reconstructions and posterior estimation compared to existing DM-based imaging inverse methods.

Despite significant progress in robotics and embodied AI in recent years, deploying robots for long-horizon tasks remains a great challenge. Majority of prior arts adhere to an open-loop philosophy and lack real-time feedback, leading to error accumulation and undesirable robustness. A handful of approaches have endeavored to establish feedback mechanisms leveraging pixel-level differences or pre-trained visual representations, yet their efficacy and adaptability have been found to be constrained. Inspired by classic closed-loop control systems, we propose CLOVER, a closed-loop visuomotor control framework that incorporates feedback mechanisms to improve adaptive robotic control. CLOVER consists of a text-conditioned video diffusion model for generating visual plans as reference inputs, a measurable embedding space for accurate error quantification, and a feedback-driven controller that refines actions from feedback and initiates replans as needed. Our framework exhibits notable advancement in real-world robotic tasks and achieves state-of-the-art on CALVIN benchmark, improving by 8% over previous open-loop counterparts. Code and checkpoints are maintained at https://github.com/OpenDriveLab/CLOVER.

With the proposal of patching technique in time series forecasting, Transformerbased models have achieved compelling performance and gained great interest fromthe time series community. But at the same time, we observe a new problem thatthe recent Transformer-based models are overly reliant on patching to achieve idealperformance, which limits their applicability to some forecasting tasks unsuitablefor patching. In this paper, we intent to handle this emerging issue. Through divinginto the relationship between patching and full attention (the core mechanismin Transformer-based models), we further find out the reason behind this issueis that full attention relies overly on the guidance of patching to focus on theimportant time points and learn non-trivial temporal representation. Based on thisfinding, we propose DeformableTST as an effective solution to this emergingissue. Specifically, we propose deformable attention, a sparse attention mechanismthat can better focus on the important time points by itself, to get rid of the need ofpatching. And we also adopt a hierarchical structure to alleviate the efficiency issuecaused by the removal of patching. Experimentally, our DeformableTST achievesthe consistent state-of-the-art performance in a broader range of time series tasks,especially achieving promising performance in forecasting tasks unsuitable forpatching, therefore successfully reducing the reliance on patching and broadeningthe applicability of Transformer-based models. Code is available at this repository:https://github.com/luodhhh/DeformableTST.

Large pre-trained models excel in zero/few-shot learning for language and vision tasks but face challenges in multivariate time series (TS) forecasting due to diverse data characteristics. Consequently, recent research efforts have focused on developing pre-trained TS forecasting models. These models, whether built from scratch or adapted from large language models (LLMs), excel in zero/few-shot forecasting tasks. However, they are limited by slow performance, high computational demands, and neglect of cross-channel and exogenous correlations. To address this, we introduce Tiny Time Mixers (TTM), a compact model (starting from 1M parameters) with effective transfer learning capabilities, trained exclusively on public TS datasets. TTM, based on the light-weight TSMixer architecture, incorporates innovations like adaptive patching, diverse resolution sampling, and resolution prefix tuning to handle pre-training on varied dataset resolutions with minimal model capacity. Additionally, it employs multi-level modeling to capture channel correlations and infuse exogenous signals during fine-tuning. TTM outperforms existing popular benchmarks in zero/few-shot forecasting by (4-40\%), while reducing computational requirements significantly. Moreover, TTMs are lightweight and can be executed even on CPU-only machines, enhancing usability and fostering wider adoption in resource-constrained environments. The model weights for reproducibility and research use are available at https://huggingface.co/ibm/ttm-research-r2/, while enterprise-use weights under the Apache license can be accessed as follows: the initial TTM-Q variant at https://huggingface.co/ibm-granite/granite-timeseries-ttm-r1, and the latest variants (TTM-B, TTM-E, TTM-A) weights are available at https://huggingface.co/ibm-granite/granite-timeseries-ttm-r2. The source code for the TTM model along with the usage scripts are available at https://github.com/ibm-granite/granite-tsfm/tree/main/tsfm_public/models/tinytimemixer

Solving societal problems on a global scale requires the collection and processing of ideas and methods from diverse sets of international experts. As the number and diversity of human experts increase, so does the likelihood that elements in this collective knowledge can be combined and refined to discover novel and better solutions. However, it is difficult to identify, combine, and refine complementary information in an increasingly large and diverse knowledge base. This paper argues that artificial intelligence (AI) can play a crucial role in this process. An evolutionary AI framework, termed RHEA, fills this role by distilling knowledge from diverse models created by human experts into equivalent neural networks, which are then recombined and refined in a population-based search. The framework was implemented in a formal synthetic domain, demonstrating that it is transparent and systematic. It was then applied to the results of the XPRIZE Pandemic Response Challenge, in which over 100 teams of experts across 23 countries submitted models based on diverse methodologies to predict COVID-19 cases and suggest non-pharmaceutical intervention policies for 235 nations, states, and regions across the globe. Building upon this expert knowledge, by recombining and refining the 169 resulting policy suggestion models, RHEA discovered a broader and more effective set of policies than either AI or human experts alone, as evaluated based on real-world data. The results thus suggest that AI can play a crucial role in realizing the potential of human expertise in global problem-solving.

As generative large language models (LLMs) such as ChatGPT gain widespread adoption in various domains, their potential to propagate and amplify social biases, particularly in high-stakes areas such as the labor market, has become a pressing concern. AI algorithms are not only widely used in the selection of job applicants, individual job seekers may also make use of generative LLMs to help develop their job application materials. Against this backdrop, this research builds on a novel experimental design to examine social biases within ChatGPT-generated job applications in response to real job advertisements. By simulating the process of job application creation, we examine the language patterns and biases that emerge when the model is prompted with diverse job postings. Notably, we present a novel bias evaluation framework based on Masked Language Models to quantitatively assess social bias based on validated inventories of social cues/words, enabling a systematic analysis of the language used. Our findings show that the increasing adoption of generative AI, not only by employers but also increasingly by individual job seekers, can reinforce and exacerbate gender and social inequalities in the labor market through the use of biased and gendered language.

Public LLMs such as the Llama 2-Chat underwent alignment training and were considered safe. Recently Qi et al. (2024) reported that even benign fine-tuning on seemingly safe datasets can give rise to unsafe behaviors in the models. The current paper is about methods and best practices to mitigate such loss of alignment. We focus on the setting where a public model is fine-tuned before serving users for specific usage, where the model should improve on the downstream task while maintaining alignment. Through extensive experiments on several chat models (Meta's Llama 2-Chat, Mistral AI's Mistral 7B Instruct v0.2, and OpenAI's GPT-3.5 Turbo), this paper uncovers that the prompt templates used during fine-tuning and inference play a crucial role in preserving safety alignment, and proposes the “Pure Tuning, Safe Testing” (PTST) strategy --- fine-tune models without a safety prompt, but include it at test time. This seemingly counterintuitive strategy incorporates an intended distribution shift to encourage alignment preservation. Fine-tuning experiments on GSM8K, ChatDoctor, and OpenOrca show that PTST significantly reduces the rise of unsafe behaviors.

Achieving robust and precise pose estimation in dynamic scenes is a significant research challenge in Visual Simultaneous Localization and Mapping (SLAM). Recent advancements integrating Gaussian Splatting into SLAM systems have proven effective in creating high-quality renderings using explicit 3D Gaussian models, significantly improving environmental reconstruction fidelity. However, these approaches depend on a static environment assumption and face challenges in dynamic environments due to inconsistent observations of geometry and photometry. To address this problem, we propose DG-SLAM, the first robust dynamic visual SLAM system grounded in 3D Gaussians, which provides precise camera pose estimation alongside high-fidelity reconstructions. Specifically, we propose effective strategies, including motion mask generation, adaptive Gaussian point management, and a hybrid camera tracking algorithm to improve the accuracy and robustness of pose estimation. Extensive experiments demonstrate that DG-SLAM delivers state-of-the-art performance in camera pose estimation, map reconstruction, and novel-view synthesis in dynamic scenes, outperforming existing methods meanwhile preserving real-time rendering ability.

Global stability and robustness guarantees in learned dynamical systems are essential to ensure well-behavedness of the systems in the face of uncertainty. We present Extended Linearized Contracting Dynamics (ELCD), the first neural network-based dynamical system with global contractivity guarantees in arbitrary metrics. The key feature of ELCD is a parametrization of the extended linearization of the nonlinear vector field. In its most basic form, ELCD is guaranteed to be (i) globally exponentially stable, (ii) equilibrium contracting, and (iii) globally contracting with respect to some metric. To allow for contraction with respect to more general metrics in the data space, we train diffeomorphisms between the data space and a latent space and enforce contractivity in the latent space, which ensures global contractivity in the data space. We demonstrate the performance of ELCD on the high dimensional LASA, multi-link pendulum, and Rosenbrock datasets.

Multimodal Large Language Models (MLLMs) have demonstrated remarkable comprehension and reasoning capabilities with complex language and visual data.These advances have spurred the vision of establishing a generalist robotic MLLM proficient in understanding complex human instructions and accomplishing various embodied tasks, whose feasibility has been recently verified~\cite{rt-2,rt-x}.However, developing MLLMs for real-world robots is challenging due to the typically limited computation and memory capacities available on robotic platforms. In contrast, the inference of MLLMs usually incorporates storing billions of parameters and performing tremendous computation, imposing significant hardware demands.In our paper, we seek to address this challenge by leveraging an intriguing observation: relatively easier situations make up the bulk of the procedure of controlling robots to fulfill diverse tasks, and they generally require far smaller models to obtain the correct robotic actions.Motivated by this observation, we propose a \emph{DynamicEarly-Exit for Robotic MLLM} (DeeR) framework that automatically adjusts the size of the activated MLLM based on each situation at hand. The approach leverages a multi-exit architecture in MLLMs, which allows the model to cease processing once a proper size of the model has been activated for a specific situation, thus avoiding further redundant computation. Additionally, we develop novel algorithms that establish early-termination criteria for DeeR, conditioned on predefined demands such as average computational cost (\emph{i.e.}, power consumption), as well as peak computational consumption (\emph{i.e.}, latency) and GPU memory usage. These enhancements ensure that DeeR operates efficiently under varying resource constraints while maintaining competitive performance.Moreover, we design a tailored training method for integrating temporal information on top of such multi-exit architectures to predict actions reasonably. On the CALVIN robot manipulation benchmark, DeeR demonstrates significant reductions in computational costs by 5.2-6.5x and GPU memory by 2x without compromising performance.Code and checkpoints are available at https://github.com/yueyang130/DeeR-VLA.

Generalization capabilities, or rather a lack thereof, is one of the most important unsolved problems in the field of robot learning, and while several large scale efforts have set out to tackle this problem, unsolved it remains. In this paper, we hypothesize that learning temporal action abstractions using latent variable models (LVMs), which learn to map data to a compressed latent space and back, is apromising direction towards low-level skills that can readily be used for new tasks. Although several works have attempted to show this, they have generally been limited by architectures that do not faithfully capture sharable representations. To address this we present Quantized Skill Transformer (QueST), which learns a larger and more flexible latent encoding that is more capable of modeling the breadth of low-level skills necessary for a variety of tasks. To make use of this extra flexibility, QueST imparts causal inductive bias from the action sequence data into the latent space, leading to more semantically useful and transferable representations. We compare to state-of-the-art imitation learning and LVM baselines and see that QueST’s architecture leads to strong performance on several multitask and few-shot learning benchmarks. Further results and videos are available at https://quest-model.github.io.

Simulating realistic behaviors of traffic agents is pivotal for efficiently validating the safety of autonomous driving systems. Existing data-driven simulators primarily use an encoder-decoder architecture to encode the historical trajectories before decoding the future. However, the heterogeneity between encoders and decoders complicates the models, and the manual separation of historical and future trajectories leads to low data utilization. Given these limitations, we propose BehaviorGPT, a homogeneous and fully autoregressive Transformer designed to simulate the sequential behavior of multiple agents. Crucially, our approach discards the traditional separation between "history" and "future" by modeling each time step as the "current" one for motion generation, leading to a simpler, more parameter- and data-efficient agent simulator. We further introduce the Next-Patch Prediction Paradigm (NP3) to mitigate the negative effects of autoregressive modeling, in which models are trained to reason at the patch level of trajectories and capture long-range spatial-temporal interactions. Despite having merely 3M model parameters, BehaviorGPT won first place in the 2024 Waymo Open Sim Agents Challenge with a realism score of 0.7473 and a minADE score of 1.4147, demonstrating its exceptional performance in traffic agent simulation.

We present BricksRL, a platform designed to democratize access to robotics for reinforcement learning research and education. BricksRL facilitates the creation, design, and training of custom LEGO robots in the real world by interfacing them with the TorchRL library for reinforcement learning agents. The integration of TorchRL with the LEGO hubs, via Bluetooth bidirectional communication, enables state-of-the-art reinforcement learning training on GPUs for a wide variety of LEGO builds. This offers a flexible and cost-efficient approach for scaling and also provides a robust infrastructure for robot-environment-algorithm communication. We present various experiments across tasks and robot configurations, providing built plans and training results. Furthermore, we demonstrate that inexpensive LEGO robots can be trained end-to-end in the real world to achieve simple tasks, with training times typically under 120 minutes on a normal laptop. Moreover, we show how users can extend the capabilities, exemplified by the successful integration of non-LEGO sensors. By enhancing accessibility to both robotics and reinforcement learning, BricksRL establishes a strong foundation for democratized robotic learning in research and educational settings.

This paper introduces OpenGaussian, a method based on 3D Gaussian Splatting (3DGS) that possesses the capability for 3D point-level open vocabulary understanding. Our primary motivation stems from observing that existing 3DGS-based open vocabulary methods mainly focus on 2D pixel-level parsing. These methods struggle with 3D point-level tasks due to weak feature expressiveness and inaccurate 2D-3D feature associations. To ensure robust feature presentation and 3D point-level understanding, we first employ SAM masks without cross-frame associations to train instance features with 3D consistency. These features exhibit both intra-object consistency and inter-object distinction. Then, we propose a two-stage codebook to discretize these features from coarse to fine levels. At the coarse level, we consider the positional information of 3D points to achieve location-based clustering, which is then refined at the fine level.Finally, we introduce an instance-level 3D-2D feature association method that links 3D points to 2D masks, which are further associated with 2D CLIP features. Extensive experiments, including open vocabulary-based 3D object selection, 3D point cloud understanding, click-based 3D object selection, and ablation studies, demonstrate the effectiveness of our proposed method. The source code is available at our project page https://3d-aigc.github.io/OpenGaussian.

The interaction between Fourier transform and deep learning opens new avenues for long-term time series forecasting (LTSF). We propose a new perspective to reconsider the Fourier transform from a basis functions perspective. Specifically, the real and imaginary parts of the frequency components can be viewed as the coefficients of cosine and sine basis functions at tiered frequency levels, respectively. We argue existing Fourier-based methods do not involve basis functions thus fail to interpret frequency coefficients precisely and consider the time-frequency relationship sufficiently, leading to inconsistent starting cycles and inconsistent series length issues. Accordingly, a novel Fourier basis mapping (FBM) method addresses these issues by mixing time and frequency domain features through Fourier basis expansion. Differing from existing approaches, FBM (i) embeds the discrete Fourier transform with basis functions, and then (ii) can enable plug-and-play in various types of neural networks for better performance. FBM extracts explicit frequency features while preserving temporal characteristics, enabling the mapping network to capture the time-frequency relationships. By incorporating our unique time-frequency features, the FBM variants can enhance any type of networks like linear, multilayer-perceptron-based, transformer-based, and Fourier-based networks, achieving state-of-the-art LTSF results on diverse real-world datasets with just one or three fully connected layers. The code is available at: https://github.com/runze1223/Fourier-Basis-Mapping.

Large language models can solve tasks that were not present in the training set. This capability is believed to be due to in-context learning and skill composition. In this work, we study the emergence of in-context learning and skill composition in a collection of modular arithmetic tasks. Specifically, we consider a finite collection of linear modular functions $z = a x + b y \text{ mod } p$ labeled by the vector $(a, b) \in \mathbb{Z}_p^2$. We use some of these tasks for pre-training and the rest for out-of-distribution testing. We empirically show that a GPT-style transformer exhibits a transition from in-distribution to out-of-distribution generalization as the number of pre-training tasks increases. We find that the smallest model capable of out-of-distribution generalization requires two transformer blocks, while for deeper models, the out-of-distribution generalization phase is *transient*, necessitating early stopping. Finally, we perform an interpretability study of the pre-trained models, revealing highly structured representations in both attention heads and MLPs; and discuss the learned algorithms. Notably, we find an algorithmic shift in deeper models, as we go from few to many in-context examples.

Foundation models of time series have not been fully developed due to the limited availability of time series corpora and the underexploration of scalable pre-training. Based on the similar sequential formulation of time series and natural language, increasing research demonstrates the feasibility of leveraging large language models (LLM) for time series. Nevertheless, the inherent autoregressive property and decoder-only architecture of LLMs have not been fully considered, resulting in insufficient utilization of LLM abilities. To fully revitalize the general-purpose token transition and multi-step generation capability of large language models, we propose AutoTimes to repurpose LLMs as autoregressive time series forecasters, which projects time series into the embedding space of language tokens and autoregressively generates future predictions with arbitrary lengths. Compatible with any decoder-only LLMs, the consequent forecaster exhibits the flexibility of the lookback length and scalability with larger LLMs. Further, we formulate time series as prompts, extending the context for prediction beyond the lookback window, termed in-context forecasting. By introducing LLM-embedded textual timestamps, AutoTimes can utilize chronological information to align multivariate time series. Empirically, AutoTimes achieves state-of-the-art with 0.1% trainable parameters and over $5\times$ training/inference speedup compared to advanced LLM-based forecasters. Code is available at this repository: https://github.com/thuml/AutoTimes.

Time series forecasting typically needs to address non-stationary data with evolving trend and seasonal patterns. To address the non-stationarity, reversible instance normalization has been recently proposed to alleviate impacts from the trend with certain statistical measures, e.g., mean and variance. Although they demonstrate improved predictive accuracy, they are limited to expressing basic trends and are incapable of handling seasonal patterns. To address this limitation, this paper proposes a new instance normalization solution, called frequency adaptive normalization (FAN), which extends instance normalization in handling both dynamic trend and seasonal patterns. Specifically, we employ the Fourier transform to identify instance-wise predominant frequent components that cover most non-stationary factors. Furthermore, the discrepancy of those frequency components between inputs and outputs is explicitly modeled as a prediction task with a simple MLP model. FAN is a model-agnostic method that can be applied to arbitrary predictive backbones. We instantiate FAN on four widely used forecasting models as the backbone and evaluate their prediction performance improvements on eight benchmark datasets. FAN demonstrates significant performance advancement, achieving 7.76\%$\sim$37.90\% average improvements in MSE. Our code is publicly available at http://github.com/icannotnamemyself/FAN.

Boundaries are the timestamps at which a class in a time series changes. Recently, representation-based boundary detection has gained popularity, but its emphasis on consecutive distance difference backfires, especially when the changes are gradual. In this paper, we propose a boundary detection method, RECURVE, based on a novel change metric, the curvature of a representation trajectory, to accommodate both gradual and abrupt changes. Here, a sequence of representations in the representation space is interpreted as a trajectory, and a curvature at each timestamp can be computed. Using the theory of random walk, we formally show that the mean curvature is lower near boundaries than at other points. Extensive experiments using diverse real-world time-series datasets confirm the superiority of RECURVE over state-of-the-art methods.

Anomaly detection in time series data is fundamental to the design, deployment, and evaluation of industrial control systems. Temporal modeling has been the natural focus of anomaly detection approaches for time series data. However, the focus on temporal modeling can obscure or dilute the spatial information that can be used to capture complex interactions in multivariate time series. In this paper, we propose SARAD, an approach that leverages spatial information beyond data autoencoding errors to improve the detection and diagnosis of anomalies. SARAD trains a Transformer to learn the spatial associations, the pairwise inter-feature relationships which ubiquitously characterize such feedback-controlled systems. As new associations form and old ones dissolve, SARAD applies subseries division to capture their changes over time. Anomalies exhibit association descending patterns, a key phenomenon we exclusively observe and attribute to the disruptive nature of anomalies detaching anomalous features from others. To exploit the phenomenon and yet dismiss non-anomalous descent, SARAD performs anomaly detection via autoencoding in the association space. We present experimental results to demonstrate that SARAD achieves state-of-the-art performance, providing robust anomaly detection and a nuanced understanding of anomalous events.

Due to the recurrent structure of RNN, the long information propagation path poses limitations in capturing long-term dependencies, gradient explosion/vanishing issues, and inefficient sequential execution. Based on this, we propose a novel paradigm called Parallel Gated Network (PGN) as the new successor to RNN. PGN directly captures information from previous time steps through the designed Historical Information Extraction (HIE) layer and leverages gated mechanisms to select and fuse it with the current time step information. This reduces the information propagation path to $\mathcal{O}(1)$, effectively addressing the limitations of RNN. To enhance PGN's performance in long-range time series forecasting tasks, we propose a novel temporal modeling framework called Temporal PGN (TPGN). TPGN incorporates two branches to comprehensively capture the semantic information of time series. One branch utilizes PGN to capture long-term periodic patterns while preserving their local characteristics. The other branch employs patches to capture short-term information and aggregate the global representation of the series. TPGN achieves a theoretical complexity of $\mathcal{O}(\sqrt{L})$, ensuring efficiency in its operations. Experimental results on five benchmark datasets demonstrate the state-of-the-art (SOTA) performance and high efficiency of TPGN, further confirming the effectiveness of PGN as the new successor to RNN in long-range time series forecasting. The code is available in this repository: https://github.com/Water2sea/TPGN.

Existing approaches for learning representations of time-series keep the temporal arrangement of the time-steps intact with the presumption that the original order is the most optimal for learning. However, non-adjacent sections of real-world time-series may have strong dependencies. Accordingly, we raise the question: Is there an alternative arrangement for time-series which could enable more effective representation learning? To address this, we propose a simple plug-and-play neural network layer called Segment, Shuffle, and Stitch (S3) designed to improve representation learning in time-series models. S3 works by creating non-overlapping segments from the original sequence and shuffling them in a learned manner that is optimal for the task at hand. It then re-attaches the shuffled segments back together and performs a learned weighted sum with the original input to capture both the newly shuffled sequence along with the original sequence. S3 is modular and can be stacked to achieve different levels of granularity, and can be added to many forms of neural architectures including CNNs or Transformers with negligible computation overhead. Through extensive experiments on several datasets and state-of-the-art baselines, we show that incorporating S3 results in significant improvements for the tasks of time-series classification, forecasting, and anomaly detection, improving performance on certain datasets by up to 68\%. We also show that S3 makes the learning more stable with a smoother training loss curve and loss landscape compared to the original baseline. The code is available at https://github.com/shivam-grover/S3-TimeSeries.

Language models (LMs) derive their capabilities from extensive training on diverse data, including copyrighted material. These models can memorize and generate content similar to their training data, potentially risking legal issues like copyright infringement.Therefore, model creators are motivated to develop mitigation methods that prevent generating particular copyrighted content, an ability we refer to as copyright takedowns. This paper introduces the first evaluation of the feasibility and side effects of copyright takedowns for LMs. We propose CoTaEval, an evaluation framework to assess the effectiveness of copyright takedown methods,the impact on the model's ability to retain uncopyrightable factual knowledge from the copyrighted content, and how well the model maintains its general utility and efficiency.We examine several strategies, including adding system prompts, decoding-time filtering interventions, and unlearning approaches. Our findings indicate that no method excels across all metrics, showing significant room for research in this unique problem setting and indicating potential unresolved challenges for live policy proposals.

The technological advancements in diffusion models (DMs) have demonstrated unprecedented capabilities in text-to-image generation and are widely used in diverse applications. However, they have also raised significant societal concerns, such as the generation of harmful content and copyright disputes. Machine unlearning (MU) has emerged as a promising solution, capable of removing undesired generative capabilities from DMs. However, existing MU evaluation systems present several key challenges that can result in incomplete and inaccurate assessments. To address these issues, we propose UnlearnCanvas, a comprehensive high-resolution stylized image dataset that facilitates the evaluation of the unlearning of artistic styles and associated objects. This dataset enables the establishment of a standardized, automated evaluation framework with 7 quantitative metrics assessing various aspects of the unlearning performance for DMs. Through extensive experiments, we benchmark 9 state-of-the-art MU methods for DMs, revealing novel insights into their strengths, weaknesses, and underlying mechanisms. Additionally, we explore challenging unlearning scenarios for DMs to evaluate worst-case performance against adversarial prompts, the unlearning of finer-scale concepts, and sequential unlearning. We hope that this study can pave the way for developing more effective, accurate, and robust DM unlearning methods, ensuring safer and more ethical applications of DMs in the future. The dataset, benchmark, and codes are publicly available at this link.

While Vision Transformer (ViT) have achieved success across various machine learning tasks, deploying them in real-world scenarios faces a critical challenge: generalizing under Out-of-Distribution (OoD) shifts. A crucial research gap remains in understanding how to design ViT architectures – both manually and automatically – to excel in OoD generalization. To address this gap, we introduce OoD-ViT-NAS, the first systematic benchmark for ViT Neural Architecture Search (NAS) focused on OoD generalization. This comprehensive benchmark includes 3,000 ViT architectures of varying model computational budgets evaluated on common large-scale OoD datasets. With this comprehensive benchmark at hand, we analyze the factors that contribute to the OoD generalization of ViT architecture. Our analysis uncovers several key insights. Firstly, we show that ViT architecture designs have a considerable impact on OoD generalization. Secondly, we observe that In-Distribution (ID) accuracy might not be a very good indicator of OoD accuracy. This underscores the risk that ViT architectures optimized for ID accuracy might not perform well under OoD shifts. Thirdly, we conduct the first study to explore NAS for ViT’s OoD robustness. Specifically, we study 9 Training-free NAS for their OoD generalization performance on our benchmark. We observe that existing Training-free NAS are largely ineffective in predicting OoD accuracy despite their effectiveness at predicting ID accuracy. Moreover, simple proxies like #Param or #Flop surprisingly outperform more complex Training-free NAS in predicting ViTs OoD accuracy. Finally, we study how ViT architectural attributes impact OoD generalization. We discover that increasing embedding dimensions of a ViT architecture generally can improve the OoD generalization. We show that ViT architectures in our benchmark exhibit a wide range of OoD accuracy, with up to 11.85% for some OoD shift, prompting the importance to study ViT architecture design for OoD. We firmly believe that our OoD-ViT-NAS benchmark and our analysis can catalyze and streamline important research on understanding how ViT architecture designs influence OoD generalization. Our OoD-NAS-ViT benchmark and code are available at https://hosytuyen.github.io/projects/OoD-ViT-NAS

As machine learning (ML) models are increasingly used in social domains to make consequential decisions about humans, they often have the power to reshape data distributions. Humans, as strategic agents, continuously adapt their behaviors in response to the learning system. As populations change dynamically, ML systems may need frequent updates to ensure high performance. However, acquiring high-quality human-annotated samples can be highly challenging and even infeasible in social domains. A common practice to address this issue is using the model itself to annotate unlabeled data samples. This paper investigates the long-term impacts when ML models are retrained with model-annotated samples when they incorporate human strategic responses. We first formalize the interactions between strategic agents and the model and then analyze how they evolve under such dynamic interactions. We find that agents are increasingly likely to receive positive decisions as the model gets retrained, whereas the proportion of agents with positive labels may decrease over time. We thus propose a refined retraining process to stabilize the dynamics. Last, we examine how algorithmic fairness can be affected by these retraining processes and find that enforcing common fairness constraints at every round may not benefit the disadvantaged group in the long run. Experiments on (semi-)synthetic and real data validate the theoretical findings.

Despite careful safety alignment, current large language models (LLMs) remain vulnerable to various attacks. To further unveil the safety risks of LLMs, we introduce a Safety Concept Activation Vector (SCAV) framework, which effectively guides the attacks by accurately interpreting LLMs' safety mechanisms. We then develop an SCAV-guided attack method that can generate both attack prompts and embedding-level attacks with automatically selected perturbation hyperparameters. Both automatic and human evaluations demonstrate that our attack method significantly improves the attack success rate and response quality while requiring less training data. Additionally, we find that our generated attack prompts may be transferable to GPT-4, and the embedding-level attacks may also be transferred to other white-box LLMs whose parameters are known. Our experiments further uncover the safety risks present in current LLMs. For example, in our evaluation of seven open-source LLMs, we observe an average attack success rate of 99.14%, based on the classic keyword-matching criterion. Finally, we provide insights into the safety mechanism of LLMs. The code is available at https://github.com/SproutNan/AI-Safety_SCAV.

While deep networks have achieved broad success in analyzing natural images, when applied to medical scans, they often fail in unexcepted situations. We investigate this challenge and focus on model sensitivity to domain shifts, such as data sampled from different hospitals or data confounded by demographic variables such as sex, race, etc, in the context of chest X-rays and skin lesion images. A key finding we show empirically is that existing visual backbones lack an appropriate prior from the architecture for reliable generalization in these settings. Taking inspiration from medical training, we propose giving deep networks a prior grounded in explicit medical knowledge communicated in natural language. To this end, we introduce Knowledge-enhanced Bottlenecks (KnoBo), a class of concept bottleneck models that incorporates knowledge priors that constrain it to reason with clinically relevant factors found in medical textbooks or PubMed. KnoBo uses retrieval-augmented language models to design an appropriate concept space paired with an automatic training procedure for recognizing the concept. We evaluate different resources of knowledge and recognition architectures on a broad range of domain shifts across 20 datasets. In our comprehensive evaluation with two imaging modalities, KnoBo outperforms fine-tuned models on confounded datasets by 32.4% on average. Finally, evaluations reveal that PubMed is a promising resource for making medical models less sensitive to domain shift, outperforming other resources on both diversity of information and final prediction performance.

Deep neural networks (DNNs) often suffer from the overconfidence issue, where incorrect predictions are made with high confidence scores, hindering the applications in critical systems. In this paper, we propose a novel approach called Typicalness-Aware Learning (TAL) to address this issue and improve failure detection performance. We observe that, with the cross-entropy loss, model predictions are optimized to align with the corresponding labels via increasing logit magnitude or refining logit direction. However, regarding atypical samples, the image content and their labels may exhibit disparities. This discrepancy can lead to overfitting on atypical samples, ultimately resulting in the overconfidence issue that we aim to address.To address this issue, we have devised a metric that quantifies the typicalness of each sample, enabling the dynamic adjustment of the logit magnitude during the training process. By allowing relatively atypical samples to be adequately fitted while preserving reliable logit direction, the problem of overconfidence can be mitigated. TAL has been extensively evaluated on benchmark datasets, and the results demonstrate its superiority over existing failure detection methods. Specifically, TAL achieves a more than 5\% improvement on CIFAR100 in terms of the Area Under the Risk-Coverage Curve (AURC) compared to the state-of-the-art. Code is available at https://github.com/liuyijungoon/TAL.

Scalable oversight protocols aim to enable humans to accurately supervise superhuman AI. In this paper we study debate, where two AI's compete to convince a judge; consultancy, where a single AI tries to convince a judge that asks questions;and compare to a baseline of direct question-answering, where the judge just answers outright without the AI.We use large language models (LLMs) as both AI agents and as stand-ins for human judges, taking the judge models to be weaker than agent models. We benchmark on a diverse range of asymmetries between judges and agents, extending previous work on a single extractive QA task with information asymmetry, to also include mathematics, coding, logic and multimodal reasoning asymmetries. We find that debate outperforms consultancy across all tasks when the consultant is randomly assigned to argue for the correct/incorrect answer. Comparing debate to direct question answering, the results depend on the type of task: in extractive QA tasks with information asymmetry debate outperforms direct question answering, but in other tasks without information asymmetry the results are mixed.Previous work assigned debaters/consultants an answer to argue for. When we allow them to instead choose which answer to argue for, we find judges are less frequently convinced by the wrong answer in debate than in consultancy.Further, we find that stronger debater models increase judge accuracy, though more modestly than in previous studies.

With the widespread application of Large Language Models (LLMs) to various domains, concerns regarding the trustworthiness of LLMs in safety-critical scenarios have been raised, due to their unpredictable tendency to hallucinate and generate misinformation. Existing LLMs do not have an inherent functionality to provide the users with an uncertainty/confidence metric for each response it generates, making it difficult to evaluate trustworthiness. Although several studies aim to develop uncertainty quantification methods for LLMs, they have fundamental limitations, such as being restricted to classification tasks, requiring additional training and data, considering only lexical instead of semantic information, and being prompt-wise but not response-wise. A new framework is proposed in this paper to address these issues. Semantic density extracts uncertainty/confidence information for each response from a probability distribution perspective in semantic space. It has no restriction on task types and is "off-the-shelf" for new models and tasks. Experiments on seven state-of-the-art LLMs, including the latest Llama 3 and Mixtral-8x22B models, on four free-form question-answering benchmarks demonstrate the superior performance and robustness of semantic density compared to prior approaches.

3D representation is essential to the significant advance of 3D generation with 2D diffusion priors. As a flexible representation, NeRF has been first adopted for 3D representation. With density-based volumetric rendering, it however suffers both intensive computational overhead and inaccurate mesh extraction. Using a signed distance field and Marching Tetrahedra, DMTet allows for precise mesh extraction and real-time rendering but is limited in handling large topological changes in meshes, leading to optimization challenges. Alternatively, 3D Gaussian Splatting (3DGS) is favored in both training and rendering efficiency while falling short in mesh extraction. In this work, we introduce a novel 3D representation, Tetrahedron Splatting (TeT-Splatting), that supports easy convergence during optimization, precise mesh extraction, and real-time rendering simultaneously. This is achieved by integrating surface-based volumetric rendering within a structured tetrahedral grid while preserving the desired ability of precise mesh extraction, and a tile-based differentiable tetrahedron rasterizer. Furthermore, we incorporate eikonal and normal consistency regularization terms for the signed distance field to improve generation quality and stability. Critically, our representation can be trained without mesh extraction, making the optimization process easier to converge. Our TeT-Splatting can be readily integrated in existing 3D generation pipelines, along with polygonal mesh for texture optimization. Extensive experiments show that our TeT-Splatting strikes a superior tradeoff among convergence speed, render efficiency, and mesh quality as compared to previous alternatives under varying 3D generation settings.

A partial label (PL) specifies a set of candidate labels for an instance and partial-label learning (PLL) trains multi-class classifiers with PLs.Recently, many methods that incorporate techniques from other domains have shown strong potential.The expectation that stronger techniques would enhance performance has resulted in prominent PLL methods becoming not only highly complicated but also quite different from one another, making it challenging to choose the best direction for future algorithm design.While it is exciting to see higher performance, this leaves open a fundamental question: what makes a PLL method effective?We present a comprehensive empirical analysis of this question and summarize the success of PLL so far into some minimal algorithm design principles.Our findings reveal that high accuracy on benchmark-simulated datasets with PLs can misleadingly amplify the perceived effectiveness of some general techniques, which may improve representation learning but have limited impact on addressing the inherent challenges of PLs. We further identify the common behavior among successful PLL methods as a progressive transition from uniform to one-hot pseudo-labels, highlighting the critical role of mini-batch PL purification in achieving top performance.Based on our findings, we introduce a minimal working algorithm that is surprisingly simple yet effective, and propose an improved strategy to implement the design principles, suggesting a promising direction for improvements in PLL.

Quantization leverages lower-precision weights to reduce the memory usage of large language models (LLMs) and is a key technique for enabling their deployment on commodity hardware. While LLM quantization's impact on utility has been extensively explored, this work for the first time studies its adverse effects from a security perspective. We reveal that widely used quantization methods can be exploited to produce a harmful quantized LLM, even though the full-precision counterpart appears benign, potentially tricking users into deploying the malicious quantized model. We demonstrate this threat using a three-staged attack framework: (i) first, we obtain a malicious LLM through fine-tuning on an adversarial task; (ii) next, we quantize the malicious model and calculate constraints that characterize all full-precision models that map to the same quantized model; (iii) finally, using projected gradient descent, we tune out the poisoned behavior from the full-precision model while ensuring that its weights satisfy the constraints computed in step (ii). This procedure results in an LLM that exhibits benign behavior in full precision but when quantized, it follows the adversarial behavior injected in step (i). We experimentally demonstrate the feasibility and severity of such an attack across three diverse scenarios: vulnerable code generation, content injection, and over-refusal attack. In practice, the adversary could host the resulting full-precision model on an LLM community hub such as Hugging Face, exposing millions of users to the threat of deploying its malicious quantized version on their devices.

Watermarking is a technical means to dissuade malfeasant usage of Large Language Models.This paper proposes a novel watermarking scheme, so-called WaterMax, that enjoys high detectability while sustaining the quality of the generated text of the original LLM.Its new design leaves the LLM untouched (no modification of the weights, logits or temperature).WaterMax balances robustness and computational complexity contrary to the watermarking techniques of the literature inherently provoking a trade-off between quality and robustness.Its performance is both theoretically proven and experimentally validated.It outperforms all the SotA techniques under the most complete benchmark suite.

Statistical heterogeneity of data present at client devices in a federated learning (FL) system renders the training of a global model in such systems difficult. Particularly challenging are the settings where due to communication resource constraints only a small fraction of clients can participate in any given round of FL. Recent approaches to training a global model in FL systems with non-IID data have focused on developing client selection methods that aim to sample clients with more informative updates of the model. However, existing client selection techniques either introduce significant computation overhead or perform well only in the scenarios where clients have data with similar heterogeneity profiles. In this paper, we propose HiCS-FL (Federated Learning via Hierarchical Clustered Sampling), a novel client selection method in which the server estimates statistical heterogeneity of a client's data using the client’s update of the network’s output layer and relies on this information to cluster and sample the clients. We analyze the ability of the proposed techniques to compare heterogeneity of different datasets, and characterize convergence of the training process that deploys the introduced client selection method. Extensive experimental results demonstrate that in non-IID settings HiCS-FL achieves faster convergence than state-of-the-art FL client selection schemes. Notably, HiCS-FL drastically reduces computation cost compared to existing selection schemes and is adaptable to different heterogeneity scenarios.

Out-of-Distribution (OoD) detection is vital for the reliability of Deep Neural Networks (DNNs).Existing works have shown the insufficiency of Principal Component Analysis (PCA) straightforwardly applied on the features of DNNs in detecting OoD data from In-Distribution (InD) data.The failure of PCA suggests that the network features residing in OoD and InD are not well separated by simply proceeding in a linear subspace, which instead can be resolved through proper non-linear mappings.In this work, we leverage the framework of Kernel PCA (KPCA) for OoD detection, and seek suitable non-linear kernels that advocate the separability between InD and OoD data in the subspace spanned by the principal components.Besides, explicit feature mappings induced from the devoted task-specific kernels are adopted so that the KPCA reconstruction error for new test samples can be efficiently obtained with large-scale data.Extensive theoretical and empirical results on multiple OoD data sets and network structures verify the superiority of our KPCA detector in efficiency and efficacy with state-of-the-art detection performance.

Modern machine learning models deployed often encounter distribution shifts in real-world applications, manifesting as covariate or semantic out-of-distribution (OOD) shifts. These shifts give rise to challenges in OOD generalization and OOD detection. This paper introduces a novel, integrated approach AHA (Adaptive Human-Assisted OOD learning) to simultaneously address both OOD generalization and detection through a human-assisted framework by labeling data in the wild. Our approach strategically labels examples within a novel maximum disambiguation region, where the number of semantic and covariate OOD data roughly equalizes. By labeling within this region, we can maximally disambiguate the two types of OOD data, thereby maximizing the utility of the fixed labeling budget. Our algorithm first utilizes a noisy binary search algorithm that identifies the maximal disambiguation region with high probability. The algorithm then continues with annotating inside the identified labeling region, reaping the full benefit of human feedback. Extensive experiments validate the efficacy of our framework. We observed that with only a few hundred human annotations, our method significantly outperforms existing state-of-the-art methods that do not involve human assistance, in both OOD generalization and OOD detection.

Data-poisoning backdoor attacks are serious security threats to machine learning models, where an adversary can manipulate the training dataset to inject backdoors into models. In this paper, we focus on in-training backdoor defense, aiming to train a clean model even when the dataset may be potentially poisoned. Unlike most existing methods that primarily detect and remove/unlearn suspicious samples to mitigate malicious backdoor attacks, we propose a novel defense approach called PDB (Proactive Defensive Backdoor). Specifically, PDB leverages the “home field” advantage of defenders by proactively injecting a defensive backdoor into the model during training. Taking advantage of controlling the training process, the defensive backdoor is designed to suppress the malicious backdoor effectively while remaining secret to attackers. In addition, we introduce a reversible mapping to determine the defensive target label. During inference, PDB embeds a defensive trigger in the inputs and reverses the model’s prediction, suppressing malicious backdoor and ensuring the model's utility on the original task. Experimental results across various datasets and models demonstrate that our approach achieves state-of-the-art defense performance against a wide range of backdoor attacks. The code is available at https://github.com/shawkui/ProactiveDefensiveBackdoor.

Recently, Miller et al. (2021) and Baek et al. (2022) empirically demonstrated strong linear correlations between in-distribution (ID) versus out-of-distribution (OOD) accuracy and agreement. These trends, coined accuracy-on-the-line (ACL) and agreement-on-the-line (AGL), enables OOD model selection and performance estimation without labeled data. However, these phenomena also break for certain shifts, such as CIFAR10-C Gaussian Noise, posing a critical bottleneck. In this paper, we make a key finding that recent test-time adaptation (TTA) methods not only improve OOD performance, but drastically strengthens the ACL and AGL trends in models, even in shifts where models showed very weak correlations before. To analyze this, we revisit the theoretical conditions established by Miller et al. (2021), which demonstrate that ACL appears if the distributions only shift in mean and covariance scale in Gaussian data. We find that these theoretical conditions hold when deep networks are adapted to OOD, e.g., CIFAR10-C --- models embed the initial data distribution, with complex shifts, into those only with a singular ``scaling'' variable in the feature space. Building on these stronger linear trends, we demonstrate that combining TTA and AGL-based methods can predict the OOD performance with high precision for a broader set of distribution shifts. Furthermore, we can leverage ACL and AGL to perform hyperparameter search and select the best adaptation strategy without any OOD labeled data.

Trustworthiness of generative language models (GLMs) is crucial in their deployment to critical decision making systems. Hence, certified risk control methods such as selective prediction and conformal prediction have been applied to mitigating the hallucination problem in various supervised downstream tasks. However, the lack of appropriate correctness metric hinders applying such principled methods to language generation tasks. In this paper, we circumvent this problem by leveraging the concept of textual entailment to evaluate the correctness of the generated sequence, and propose two selective generation algorithms which control the false discovery rate with respect to the textual entailment relation (FDR-E) with a theoretical guarantee: $\texttt{SGen}^{\texttt{Sup}}$ and $\texttt{SGen}^{\texttt{Semi}}$. $\texttt{SGen}^{\texttt{Sup}}$, a direct modification of the selective prediction, is a supervised learning algorithm which exploits entailment-labeled data, annotated by humans. Since human annotation is costly, we further propose a semi-supervised version, $\texttt{SGen}^{\texttt{Semi}}$, which fully utilizes the unlabeled data by pseudo-labeling, leveraging an entailment set function learned via conformal prediction. Furthermore, $\texttt{SGen}^{\texttt{Semi}}$ enables to use more general class of selection functions, neuro-selection functions, and provides users with an optimal selection function class given multiple candidates. Finally, we demonstrate the efficacy of the $\texttt{SGen}$ family in achieving a desired FDR-E level with comparable selection efficiency to those from baselines on both open and closed source GLMs. Code and datasets are provided at https://github.com/ml-postech/selective-generation.

Certified adversarial robustness of large-scale deep networks has progressed substantially after the introduction of randomized smoothing. Deep net classifiers are now provably robust in their predictions against a large class of threat models, including $\ell_1$, $\ell_2$, and $\ell_\infty$ norm-bounded attacks. Certified robustness analysis by randomized smoothing has not been performed for deep regression networks where the output variable is continuous and unbounded. In this paper, we extend the existing results for randomized smoothing into regression models using powerful tools from robust statistics, in particular, $\alpha$-trimming filter as the smoothing function. Adjusting the hyperparameter $\alpha$ achieves a smooth trade-off between desired certified robustness and utility. For the first time, we propose a benchmark for certified robust regression in visual positioning systems using the Cambridge Landmarks dataset where robustness analysis is essential for autonomous navigation of AI agents and self-driving cars. Code is publicly available at \url{https://github.com/arekavandi/Certified_adv_RRegression/}.

Language models have shown vulnerability against backdoor attacks, threatening the security of services based on them. To mitigate the threat, existing solutions attempted to search for backdoor triggers, which can be time-consuming when handling a large search space. Looking into the attack process, we observe that poisoned data will create a long-tailed effect in the victim model, causing the decision boundary to shift towards the attack targets. Inspired by this observation, we introduce LT-Defense, the first searching-free backdoor defense via exploiting the long-tailed effect. Specifically, LT-Defense employs a small set of clean examples and two metrics to distinguish backdoor-related features in the target model. Upon detecting a backdoor model, LT-Defense additionally provides test-time backdoor freezing and attack target prediction. Extensive experiments demonstrate the effectiveness of LT-Defense in both detection accuracy and efficiency, e.g., in task-agnostic scenarios, LT-Defense achieves 98% accuracy across 1440 models with less than 1% of the time cost of state-of-the-art solutions.

Federated learning (FL) allows multiple devices to train a model collaboratively without sharing their data. Despite its benefits, FL is vulnerable to privacy leakage and poisoning attacks. To address the privacy concern, secure aggregation (SecAgg) is often used to obtain the aggregation of gradients on sever without inspecting individual user updates. Unfortunately, existing defense strategies against poisoning attacks rely on the analysis of local updates in plaintext, making them incompatible with SecAgg. To reconcile the conflicts, we propose a robust federated learning framework against poisoning attacks (RFLPA) based on SecAgg protocol. Our framework computes the cosine similarity between local updates and server updates to conduct robust aggregation. Furthermore, we leverage verifiable packed Shamir secret sharing to achieve reduced communication cost of $O(M+N)$ per user, and design a novel dot product aggregation algorithm to resolve the issue of increased information leakage. Our experimental results show that RFLPA significantly reduces communication and computation overhead by over $75\%$ compared to the state-of-the-art secret sharing method, BREA, while maintaining competitive accuracy.

Adversarial Collaborative Filtering (ACF), which typically applies adversarial perturbations at user and item embeddings through adversarial training, is widely recognized as an effective strategy for enhancing the robustness of Collaborative Filtering (CF) recommender systems against poisoning attacks. Besides, numerous studies have empirically shown that ACF can also improve recommendation performance compared to traditional CF. Despite these empirical successes, the theoretical understanding of ACF's effectiveness in terms of both performance and robustness remains unclear. To bridge this gap, in this paper, we first theoretically show that ACF can achieve a lower recommendation error compared to traditional CF with the same training epochs in both clean and poisoned data contexts. Furthermore, by establishing bounds for reductions in recommendation error during ACF's optimization process, we find that applying personalized magnitudes of perturbation for different users based on their embedding scales can further improve ACF's effectiveness. Building on these theoretical understandings, we propose Personalized Magnitude Adversarial Collaborative Filtering (PamaCF). Extensive experiments demonstrate that PamaCF effectively defends against various types of poisoning attacks while significantly enhancing recommendation performance.

The vulnerability of deep neural networks to imperceptible adversarial perturbations has attracted widespread attention. Inspired by the success of vision-language foundation models, previous efforts achieved zero-shot adversarial robustness by aligning adversarial visual features with text supervision. However, in practice, they are still unsatisfactory due to several issues, including heavy adaptation cost, suboptimal text supervision, and uncontrolled natural generalization capacity. In this paper, to address these issues, we propose a few-shot adversarial prompt framework where adapting input sequences with limited data makes significant adversarial robustness improvement. Specifically, we achieve this by providing adversarially correlated text supervision that is end-to-end learned from adversarial examples. We also propose a novel training objective that enhances the consistency of multi-modal features while encourages differentiated uni-modal features between natural and adversarial examples. The proposed framework gives access to learn adversarial text supervision, which provides superior cross-modal adversarial alignment and matches state-of-the-art zero-shot adversarial robustness with only 1\% training data. Code is available at: https://github.com/lionel-w2/FAP.

In label-noise learning, the noise transition matrix reveals how an instance transitions from its clean label to its noisy label. Accurately estimating an instance's noise transition matrix is crucial for estimating its clean label. However, when only a noisy dataset is available, noise transition matrices can be estimated only for some "special" instances. To leverage these estimated transition matrices to help estimate the transition matrices of other instances, it is essential to explore relations between the matrices of these "special" instances and those of others. Existing studies typically build the relation by explicitly defining the similarity between the estimated noise transition matrices of "special" instances and those of other instances. However, these similarity-based assumptions are hard to validate and may not align with real-world data. If these assumptions fail, both noise transition matrices and clean labels cannot be accurately estimated. In this paper, we found that by learning the latent causal structure governing the generating process of noisy data, we can estimate noise transition matrices without the need for similarity-based assumptions. Unlike previous generative label-noise learning methods, we consider causal relations between latent causal variables and model them with a learnable graphical model. Utilizing only noisy data, our method can effectively learn the latent causal structure. Experimental results on various noisy datasets demonstrate that our method achieves state-of-the-art performance in estimating noise transition matrices, which leads to improved classification accuracy. The code is available at: https://github.com/tmllab/2024NeurIPSCSGN.

Neural Control Barrier Functions (NCBFs) have shown significant promise in enforcing safety constraints on nonlinear autonomous systems. State-of-the-art exact approaches to verifying safety of NCBF-based controllers exploit the piecewise-linear structure of ReLU neural networks, however, such approaches still rely on enumerating all of the activation regions of the network near the safety boundary, thus incurring high computation cost. In this paper, we propose a framework for Synthesis with Efficient Exact Verification (SEEV). Our framework consists of two components, namely (i) an NCBF synthesis algorithm that introduces a novel regularizer to reduce the number of activation regions at the safety boundary, and (ii) a verification algorithm that exploits tight over-approximations of the safety conditions to reduce the cost of verifying each piecewise-linear segment. Our simulations show that SEEV significantly improves verification efficiency while maintaining the CBF quality across various benchmark systems and neural network structures. Our code is available at https://github.com/HongchaoZhang-HZ/SEEV.

Large Language Models (LLMs) are becoming a prominent generative AI tool, where the user enters a query and the LLM generates an answer. To reduce harm and misuse, efforts have been made to align these LLMs to human values using advanced training techniques such as Reinforcement Learning from Human Feedback (RLHF). However, recent studies have highlighted the vulnerability of LLMs to adversarial jailbreak attempts aiming at subverting the embedded safety guardrails. To address this challenge, this paper defines and investigates the Refusal Loss of LLMs and then proposes a method called Gradient Cuff to detect jailbreak attempts. Gradient Cuff exploits the unique properties observed in the refusal loss landscape, including functional values and its smoothness, to design an effective two-step detection strategy. Experimental results on two aligned LLMs (LLaMA-2-7B-Chat and Vicuna-7B-V1.5) and six types of jailbreak attacks (GCG, AutoDAN, PAIR, TAP, Base64, and LRL) show that Gradient Cuff can significantly improve the LLM's rejection capability for malicious jailbreak queries, while maintaining the model's performance for benign user queries by adjusting the detection threshold.

In deep learning, model performance often deteriorates when trained on highly imbalanced datasets, especially when evaluation metrics require robust generalization across underrepresented classes. To address the challenges posed by imbalanced data distributions, this study introduces a novel method utilizing density ratio estimation for dynamic class weight adjustment, termed as Re-weighting with Density Ratio (RDR). Our method adaptively adjusts the importance of each class during training, mitigates overfitting on dominant classes and enhances model adaptability across diverse datasets. Extensive experiments conducted on various large scale benchmark datasets validate the effectiveness of our method. Results demonstrate substantial improvements in generalization capabilities, particularly under severely imbalanced conditions.

Large language models are probabilistic models, and the process of generating content is essentially sampling from the output distribution of the language model. Existing watermarking techniques inject watermarks into the generated content without altering the output quality. On the other hand, existing acceleration techniques, specifically speculative sampling, leverage a draft model to speed up the sampling process while preserving the output distribution. However, there is no known method to simultaneously accelerate the sampling process and inject watermarks into the generated content. In this paper, we investigate this direction and find that the integration of watermarking and acceleration is non-trivial. We prove a no-go theorem, which states that it is impossible to simultaneously maintain the highest watermark strength and the highest sampling efficiency. Furthermore, we propose two methods that maintain either the sampling efficiency or the watermark strength, but not both. Our work provides a rigorous theoretical foundation for understanding the inherent trade-off between watermark strength and sampling efficiency in accelerating the generation of watermarked tokens for large language models. We also conduct numerical experiments to validate our theoretical findings and demonstrate the effectiveness of the proposed methods.

First-order methods (FOMs) are arguably the most scalable algorithms for equilibrium computation in large extensive-form games. To operationalize these methods, a distance-generating function, acting as a regularizer for the strategy space, must be chosen. The ratio between the strong convexity modulus and the diameter of the regularizer is a key parameter in the analysis of FOMs.A natural question is then: what is the optimal distance-generating function for extensive-form decision spaces? In this paper, we make a number of contributions, ultimately establishing that the weight-one dilated entropy (DilEnt) distance-generating function is optimal up to logarithmic factors. The DilEnt regularizer is notable due to its iterate-equivalence with Kernelized OMWU (KOMWU)---the algorithm with state-of-the-art dependence on the game tree size in extensive-form games---when used in conjunction with the online mirror descent (OMD) algorithm. However, the standard analysis for OMD is unable to establish such a result; the only current analysis is by appealing to the iterate equivalence to KOMWU. We close this gap by introducing a pair of primal-dual treeplex norms, which we contend form the natural analytic viewpoint for studying the strong convexity of DilEnt. Using these norm pairs, we recover the diameter-to-strong-convexity ratio that predicts the same performance as KOMWU. Along with a new regret lower bound for online learning in sequence-form strategy spaces, we show that this ratio is nearly optimal.Finally, we showcase our analytic techniques by refining the analysis of Clairvoyant OMD when paired with DilEnt, establishing an $\mathcal{O}(n \log |\mathcal{V}| \log T/T)$ approximation rate to coarse correlated equilibrium in $n$-player games, where $|\mathcal{V}|$ is the number of reduced normal-form strategies of the players, establishing the new state of the art.

Modern optimizers such as AdamW, equipped with momentum and adaptive learning rate, are designed to escape local minima and explore the vast parameter space. This exploration is beneficial for finding good loss basins when training from scratch. It is not necessarily ideal when resuming from a powerful foundation model because it can lead to large deviations from the pre-trained initialization and, consequently, worse robustness and generalization. At the same time, strong regularization on all parameters can lead to under-fitting. We hypothesize that selectively regularizing the parameter space is the key to fitting and retraining the pre-trained knowledge. This paper proposes a new weight decay technique, Selective Projection Decay (SPD), that selectively imposes a strong penalty on certain layers while allowing others to change freely. Intuitively, SPD expands and contracts the parameter search space for layers with consistent and inconsistent loss reduction, respectively. Experimentally, when equipped with SPD, Adam consistently provides better in-distribution generalization and out-of-distribution robustness performance on multiple popular vision and language benchmarks.

Offline reinforcement learning (RL) aims to train agents from pre-collected datasets. However, this comes with the added challenge of estimating the value of behaviors not covered in the dataset. Model-based methods offer a potential solution by training an approximate dynamics model, which then allows collection of additional synthetic data via rollouts in this model. The prevailing theory treats this approach as online RL in an approximate dynamics model, and any remaining performance gap is therefore understood as being due to dynamics model errors. In this paper, we analyze this assumption and investigate how popular algorithms perform as the learned dynamics model is improved. In contrast to both intuition and theory, if the learned dynamics model is replaced by the true error-free dynamics, existing model-based methods completely fail. This reveals a key oversight: The theoretical foundations assume sampling of full horizon rollouts in the learned dynamics model; however, in practice, the number of model-rollout steps is aggressively reduced to prevent accumulating errors. We show that this truncation of rollouts results in a set of edge-of-reach states at which we are effectively "bootstrapping from the void." This triggers pathological value overestimation and complete performance collapse. We term this the edge-of-reach problem. Based on this new insight, we fill important gaps in existing theory, and reveal how prior model-based methods are primarily addressing the edge-of-reach problem, rather than model-inaccuracy as claimed. Finally, we propose Reach-Aware Value Learning (RAVL), a simple and robust method that directly addresses the edge-of-reach problem and hence - unlike existing methods - does not fail as the dynamics model is improved. Since world models will inevitably improve, we believe this is a key step towards future-proofing offline RL.

Nuanced expressiveness, especially through detailed hand and facial expressions, is pivotal for enhancing the realism and vitality of digital human representations.In this work, we aim to learn expressive human avatars from a monocular RGB video; a setting that introduces new challenges in capturing and animating fine-grained details.To this end, we introduce EVA, a drivable human model that can recover fine details based on 3D Gaussians and an expressive parametric human model, SMPL-X.Focused on enhancing expressiveness, our work makes three key contributions.First, we highlight the importance of aligning the SMPL-X model with the video frames for effective avatar learning.Recognizing the limitations of current methods for estimating SMPL-X parameters from in-the-wild videos, we introduce a reconstruction module that significantly improves the image-model alignment.Second, we propose a context-aware adaptive density control strategy, which is adaptively adjusting the gradient thresholds to accommodate the varied granularity across body parts.Third, we develop a feedback mechanism that predicts per-pixel confidence to better guide the optimization of 3D Gaussians.Extensive experiments on two benchmarks demonstrate the superiority of our approach both quantitatively and qualitatively, especially on the fine-grained hand and facial details. We make our code available at the project website: https://evahuman.github.io.

The safe and effective deployment of Large Language Models (LLMs) involves a critical step called alignment, which ensures that the model's responses are in accordance with human preferences. Prevalent alignment techniques, such as DPO, PPO and their variants, align LLMs by changing the pre-trained model weights during a phase called post-training. While predominant, these post-training methods add substantial complexity before LLMs can be deployed. Inference-time alignment methods avoid the complex post-training step and instead bias the generation towards responses that are aligned with human preferences. The best-known inference-time alignment method, called Best-of-N, is as effective as the state-of-the-art post-training procedures. Unfortunately, Best-of-N requires vastly more resources at inference time than standard decoding strategies, which makes it computationally not viable. In this work, we introduce Speculative Rejection, a computationally-viable inference-time alignment algorithm. It generates high-scoring responses according to a given reward model, like Best-of-N does, while being between 16 to 32 times more computationally efficient.

In the realm of Multimodal Large Language Models (MLLMs), vision-language connector plays a crucial role to link the pre-trained vision encoders with Large Language Models (LLMs). Despite its importance, the vision-language connector has been relatively less explored. In this study, we aim to propose a strong vision-language connector that enables MLLM to simultaneously achieve high accuracy and low computation cost. We first reveal the existence of the visual anchors in Vision Transformer and propose a cost-effective search algorithm to progressively extract them. Building on these findings, we introduce the Anchor Former (AcFormer), a novel vision-language connector designed to leverage the rich prior knowledge obtained from these visual anchors during pretraining, guiding the aggregation of information. Through extensive experimentation, we demonstrate that the proposed method significantly reduces computational costs by nearly two-thirds, while simultaneously outperforming baseline methods. This highlights the effectiveness and efficiency of AcFormer.

Diffusion planning has been recognized as an effective decision-making paradigm in various domains. The capability of generating high-quality long-horizon trajectories makes it a promising research direction. However, existing diffusion planning methods suffer from low decision-making frequencies due to the expensive iterative sampling cost. To alleviate this, we introduce DiffuserLite, a super fast and lightweight diffusion planning framework, which employs a planning refinement process (PRP) to generate coarse-to-fine-grained trajectories, significantly reducing the modeling of redundant information and leading to notable increases in decision-making frequency. Our experimental results demonstrate that DiffuserLite achieves a decision-making frequency of $122.2$Hz ($112.7$x faster than predominant frameworks) and reaches state-of-the-art performance on D4RL, Robomimic, and FinRL benchmarks. In addition, DiffuserLite can also serve as a flexible plugin to increase the decision-making frequency of other diffusion planning algorithms, providing a structural design reference for future works. More details and visualizations are available at https://diffuserlite.github.io/.

Recent advances in algorithmic design show how to utilize predictions obtained by machine learning models from past and present data. These approaches have demonstrated an enhancement in performance when the predictions are accurate, while also ensuring robustness by providing worst-case guarantees when predictions fail. In this paper we focus on online problems; prior research in this context was focused on a paradigm where the algorithms are oblivious of the predictors' design, treating them as a black box. In contrast, in this work,we unpack the predictor and integrate the learning problem it gives rise for within the algorithmic challenge. In particular we allow the predictor to learn as it receives larger parts of the input, with the ultimate goal of designing online learning algorithms specifically tailored for the algorithmic task at hand. Adopting this perspective, we focus on a number of fundamental problems, including caching and scheduling, which have been well-studied in the black-box setting. For each of the problems, we introduce new algorithms that take advantage of explicit and carefully designed learning rules. These pairings of online algorithms with corresponding learning rules yields improvements in the overall performance in comparison with previous work.

Molecular relational learning (MRL) is crucial for understanding the interaction behaviors between molecular pairs, a critical aspect of drug discovery and development. However, the large feasible model space of MRL poses significant challenges to benchmarking, and existing MRL frameworks face limitations in flexibility and scope. To address these challenges, avoid repetitive coding efforts, and ensure fair comparison of models, we introduce FlexMol, a comprehensive toolkit designed to facilitate the construction and evaluation of diverse model architectures across various datasets and performance metrics. FlexMol offers a robust suite of preset model components, including 16 drug encoders, 13 protein sequence encoders, 9 protein structure encoders, and 7 interaction layers. With its easy-to-use API and flexibility, FlexMol supports the dynamic construction of over 70, 000 distinct combinations of model architectures. Additionally, we provide detailed benchmark results and code examples to demonstrate FlexMol’s effectiveness in simplifying and standardizing MRL model development and comparison. FlexMol is open-sourced and available on anonymous link at https://anonymous.4open.science/r/FlexMol-BDF8/.

Benchmarks for large multimodal language models (MLMs) now serve to simultaneously assess the general capabilities of models instead of evaluating for a specific capability. As a result, when a developer wants to identify which models to use for their application, they are overwhelmed by the number of benchmarks and remain uncertain about which benchmark's results are most reflective of their specific use case. This paper introduces Task-Me-Anything, a benchmark generation engine which produces a benchmark tailored to a user's needs. Task-Me-Anything maintains an extendable taxonomy of visual assets and can programmatically generate a vast number of task instances. Additionally, it algorithmically addresses user queries regarding MLM performance efficiently within a computational budget. It contains 113K images, 10K videos, 2K 3D object assets, over 365 object categories, 655 attributes, and 335 relationships. It can generate 500M image/video question-answering pairs, which focus on evaluating MLM perceptual capabilities. Task-Me-Anything reveals critical insights: open-source MLMs excel in object and attribute recognition but lack spatial and temporal understanding; each model exhibits unique strengths and weaknesses; larger models generally perform better, though exceptions exist; and GPT4O demonstrates challenges in recognizing rotating/moving objects and distinguishing colors.

Large multimodal models (LMMs) are processing increasingly longer and richer inputs. Albeit the progress, few public benchmark is available to measure such development. To mitigate this gap, we introduce LongVideoBench, a question-answering benchmark that features video-language interleaved inputs up to an hour long. Our benchmark includes 3,763 varying-length web-collected videos with their subtitles across diverse themes, designed to comprehensively evaluate LMMs on long-term multimodal understanding. To achieve this, we interpret the primary challenge as to accurately retrieve and reason over detailed multimodal information from long inputs. As such, we formulate a novel video question-answering task termed referring reasoning. Specifically, as part of the question, it contains a referring query that references related video contexts, called referred context. The model is then required to reason over relevant video details from the referred context. Following the paradigm of referring reasoning, we curate 6,678 human-annotated multiple-choice questions in 17 fine-grained categories, establishing one of the most comprehensive benchmarks for long-form video understanding. Evaluations suggest that the LongVideoBench presents significant challenges even for the most advanced proprietary models (e.g. GPT-4o, Gemini-1.5-Pro), while their open-source counterparts show an even larger performance gap. In addition, our results indicate that model performance on the benchmark improves only when they are capable of processing more frames, positioning LongVideoBench as a valuable benchmark for evaluating future-generation long-context LMMs.

We present Causal Amortized Active Structure Learning (CAASL), an active intervention design policy that can select interventions that are adaptive, real-time and that does not require access to the likelihood. This policy, an amortized network based on the transformer, is trained with reinforcement learning on a simulator of the design environment, and a reward function that measures how close the true causal graph is to a causal graph posterior inferred from the gathered data. On synthetic data and a single-cell gene expression simulator, we demonstrate empirically that the data acquired through our policy results in a better estimate of the underlying causal graph than alternative strategies. Our design policy successfully achieves amortized intervention design on the distribution of the training environment while also generalizing well to distribution shifts in test-time design environments. Further, our policy also demonstrates excellent zero-shot generalization to design environments with dimensionality higher than that during training, and to intervention types that it has not been trained on.

AdaBoost is a well-known algorithm in boosting. Schapire and Singer propose, an extension of AdaBoost, named AdaBoost.MH, for multi-class classification problems. Kégl shows empirically that AdaBoost.MH works better when the classical one-against-all base classifiers are replaced by factorized base classifiers containing a binary classifier and a vote (or code) vector. However, the factorization makes it much more difficult to provide a convergence result for the factorized version of AdaBoost.MH. Then, Kégl raises an open problem in COLT 2014 to look for a convergence result for the factorized AdaBoost.MH. In this work, we resolve this open problem by presenting a convergence result for AdaBoost.MH with factorized multi-class classifiers.

Intent learning, which aims to learn users' intents for user understanding and item recommendation, has become a hot research spot in recent years. However, existing methods suffer from complex and cumbersome alternating optimization, limiting performance and scalability. To this end, we propose a novel intent learning method termed \underline{ELCRec}, by unifying behavior representation learning into an \underline{E}nd-to-end \underline{L}earnable \underline{C}lustering framework, for effective and efficient \underline{Rec}ommendation. Concretely, we encode user behavior sequences and initialize the cluster centers (latent intents) as learnable neurons. Then, we design a novel learnable clustering module to separate different cluster centers, thus decoupling users' complex intents. Meanwhile, it guides the network to learn intents from behaviors by forcing behavior embeddings close to cluster centers. This allows simultaneous optimization of recommendation and clustering via mini-batch data. Moreover, we propose intent-assisted contrastive learning by using cluster centers as self-supervision signals, further enhancing mutual promotion. Both experimental results and theoretical analyses demonstrate the superiority of ELCRec from six perspectives. Compared to the runner-up, ELCRec improves NDCG@5 by 8.9\% and reduces computational costs by 22.5\% on the Beauty dataset. Furthermore, due to the scalability and universal applicability, we deploy this method on the industrial recommendation system with 130 million page views and achieve promising results. The codes are available on GitHub\footnote{https://github.com/yueliu1999/ELCRec}. A collection (papers, codes, datasets) of deep group recommendation/intent learning methods is available on GitHub\footnote{https://github.com/yueliu1999/Awesome-Deep-Group-Recommendation}.

We provide a technique for OLO that obtains regret $G\|w_\star\|\sqrt{T\log(\|w_\star\|G\sqrt{T})} + \|w_\star\|^2 + G^2$ on $G$-Lipschitz losses for any comparison point $w_\star$ without knowing either $G$ or $\|w_\star\|$. Importantly, this matches the optimal bound $G\|w_\star\|\sqrt{T}$ available with such knowledge (up to logarithmic factors), unless either $\|w_\star\|$ or $G$ is so large that even $G\|w_\star\|\sqrt{T}$ is roughly linear in $T$. Thus, at a high level it matches the optimal bound in all cases in which one can achieve sublinear regret.

Transformer architectures have become a dominant paradigm for domains like language modeling but suffer in many inference settings due to their quadratic-time self-attention. Recently proposed subquadratic architectures, such as Mamba, have shown promise, but have been pretrained with substantially less computational resources than the strongest Transformer models. In this work, we present a method that is able to distill a pretrained Transformer architecture into alternative architectures such as state space models (SSMs). The key idea to our approach is that we can view both Transformers and SSMs as applying different forms of mixing matrices over the token sequences. We can thus progressively distill the Transformer architecture by matching different degrees of granularity in the SSM: first matching the mixing matrices themselves, then the hidden units at each block, and finally the end-to-end predictions. Our method, called MOHAWK, is able to distill a Mamba-2 variant based on the Phi-1.5 architecture (Phi-Mamba) using only 3B tokens. Despite using less than 1% of the training data typically used to train models from scratch, Phi-Mamba boasts substantially stronger performance compared to all past open-source non-Transformer models. MOHAWK allows models like SSMs to leverage computational resources invested in training Transformer-based architectures, highlighting a new avenue for building such models.

The rapid progress of Deepfake technology has made face swapping highly realistic, raising concerns about the malicious use of fabricated facial content. Existing methods often struggle to generalize to unseen domains due to the diverse nature of facial manipulations. In this paper, we revisit the generation process and identify a universal principle: Deepfake images inherently contain information from both source and target identities, while genuine faces maintain a consistent identity. Building upon this insight, we introduce DiffusionFake, a novel plug-and-play framework that reverses the generative process of face forgeries to enhance the generalization of detection models. DiffusionFake achieves this by injecting the features extracted by the detection model into a frozen pre-trained Stable Diffusion model, compelling it to reconstruct the corresponding target and source images. This guided reconstruction process constrains the detection network to capture the source and target related features to facilitate the reconstruction, thereby learning rich and disentangled representations that are more resilient to unseen forgeries. Extensive experiments demonstrate that DiffusionFake significantly improves cross-domain generalization of various detector architectures without introducing additional parameters during inference. The code are available in https://github.com/skJack/DiffusionFake.git.

Graph anomaly detection (GAD), which aims to identify abnormal nodes that differ from the majority within a graph, has garnered significant attention. However, current GAD methods necessitate training specific to each dataset, resulting in high training costs, substantial data requirements, and limited generalizability when being applied to new datasets and domains. To address these limitations, this paper proposes ARC, a generalist GAD approach that enables a ``one-for-all'' GAD model to detect anomalies across various graph datasets on-the-fly. Equipped with in-context learning, ARC can directly extract dataset-specific patterns from the target dataset using few-shot normal samples at the inference stage, without the need for retraining or fine-tuning on the target dataset. ARC comprises three components that are well-crafted for capturing universal graph anomaly patterns: 1) smoothness-based feature Alignment module that unifies the features of different datasets into a common and anomaly-sensitive space; 2) ego-neighbor Residual graph encoder that learns abnormality-related node embeddings; and 3) cross-attentive in-Context anomaly scoring module that predicts node abnormality by leveraging few-shot normal samples. Extensive experiments on multiple benchmark datasets from various domains demonstrate the superior anomaly detection performance, efficiency, and generalizability of ARC.

Developing fair automated machine learning algorithms is critical in making safe and trustworthy decisions. Many causality-based fairness notions have been proposed to address the above issues by quantifying the causal connections between sensitive attributes and decisions, and when the true causal graph is fully known, certain algorithms that achieve interventional fairness have been proposed. However, when the true causal graph is unknown, it is still challenging to effectively and efficiently exploit partially directed acyclic graphs (PDAGs) to achieve interventional fairness. To exploit the PDAGs for achieving interventional fairness, previous methods have been built on variable selection or causal effect identification, but limited to reduced prediction accuracy or strong assumptions. In this paper, we propose a general min-max optimization framework that can achieve interventional fairness with promising prediction accuracy and can be extended to maximally oriented PDAGs (MPDAGs) with added background knowledge. Specifically, we first estimate all possible treatment effects of sensitive attributes on a given prediction model from all possible adjustment sets of sensitive attributes via an efficient local approach. Next, we propose to alternatively update the prediction model and possible estimated causal effects, where the prediction model is trained via a min-max loss to control the worst-case fairness violations. Extensive experiments on synthetic and real-world datasets verify the superiority of our methods. To benefit the research community, we have released our project at https://github.com/haoxuanli-pku/NeurIPS24-Interventional-Fairness-with-PDAGs.

The cost of ranking becomes significant in the new stage of deep learning. We propose ST$_k$, a fully differentiable module with a single trainable parameter, designed to solve the Top-k problem without requiring additional time or GPU memory. Due to its fully differentiable nature, ST$_k$ can be embedded end-to-end into neural networks and optimize the Top-k problems within a unified computational graph. We apply ST$_k$ to the Average Top-k Loss (AT$_k$), which inherently faces a Top-k problem. The proposed ST$_k$ Loss outperforms AT$_k$ Loss and achieves the best average performance on multiple benchmarks, with the lowest standard deviation. With the assistance of ST$_k$ Loss, we surpass the state-of-the-art (SOTA) on both CIFAR-100-LT and Places-LT leaderboards.

Learning a generalist embodied agent capable of completing multiple tasks poses challenges, primarily stemming from the scarcity of action-labeled robotic datasets. In contrast, a vast amount of human videos exist, capturing intricate tasks and interactions with the physical world. Promising prospects arise for utilizing actionless human videos for pre-training and transferring the knowledge to facilitate robot policy learning through limited robot demonstrations. However, it remains a challenge due to the domain gap between humans and robots. Moreover, it is difficult to extract useful information representing the dynamic world from human videos, because of its noisy and multimodal data structure. In this paper, we introduce a novel framework to tackle these challenges, which leverages a unified discrete diffusion to combine generative pre-training on human videos and policy fine-tuning on a small number of action-labeled robot videos. We start by compressing both human and robot videos into unified video tokens. In the pre-training stage, we employ a discrete diffusion model with a mask-and-replace diffusion strategy to predict future video tokens in the latent space. In the fine-tuning stage, we harness the imagined future videos to guide low-level action learning with a limited set of robot data. Experiments demonstrate that our method generates high-fidelity future videos for planning and enhances the fine-tuned policies compared to previous state-of-the-art approaches with superior performance.

Visual content and accompanied audio signals naturally formulate a joint representation to improve audio-visual (AV) related applications. While studies develop various AV representation learning frameworks, the importance of AV data alignment is usually undermined for achieving high-quality representation. We observe that an audio signal may contain background noise interference. Also, non-synchronization may appear between audio and video streams. These non-strict data alignment limits representation quality and downgrade application performance. In this paper, we propose to improve AV joint representations from a data-centric perspective by aligning audio signals to visual data. Our alignment is conducted in an agentic workflow controlled by an LLM-based assistant named AVAgent. For each input AV data pair, our AVAgent uses a multi-modal LLM to convert audio and visual data into language descriptions separately (i.e., tool use). Then, AVAgent reasons whether this paired data is aligned well and plans to edit the audio signal if needed (i.e., planning). The audio editing is executed by predefined actions that filter noise or augment data. Moreover, we use a VLM to evaluate how modified audio signals match the visual content and provide feedback to AVAgent (i.e., reflection). The tool use, planning, and reflection steps operate cyclically to become an agentic workflow where audio signals are gradually aligned to visual content. To this end, existing methods can directly leverage the aligned AV data via our agentic workflow to improve AV joint representations. The experimental results comprehensively demonstrate the state-of-the-art performance of the proposed approach against previous baselines in diverse downstream tasks.

In recent years, significant attention has been directed towards learning average-reward Markov Decision Processes (MDPs).However, existing algorithms either suffer from sub-optimal regret guarantees or computational inefficiencies.In this paper, we present the first *tractable* algorithm with minimax optimal regret of $\mathrm{O}\left(\sqrt{\mathrm{sp}(h^*) S A T \log(SAT)}\right)$ where $\mathrm{sp}(h^*)$ is the span of the optimal bias function $h^*$, $S\times A$ is the size of the state-action space and $T$ the number of learning steps. Remarkably, our algorithm does not require prior information on $\mathrm{sp}(h^*)$. Our algorithm relies on a novel subroutine, **P**rojected **M**itigated **E**xtended **V**alue **I**teration (`PMEVI`), to compute bias-constrained optimal policies efficiently. This subroutine can be applied to various previous algorithms to obtain improved regret bounds.

We study the problem of fitting the high dimensional sparse linear regression model, where the data are provided by strategic or self-interested agents (individuals) who prioritize their privacy of data disclosure. In contrast to the classical setting, our focus is on designing mechanisms that can effectively incentivize most agents to truthfully report their data while preserving the privacy of individual reports. Simultaneously, we seek an estimator which should be close to the underlying parameter. We attempt to solve the problem by deriving a novel private estimator that has a closed-form expression. Based on the estimator, we propose a mechanism which has the following properties via some appropriate design of the computation and payment scheme: (1) the mechanism is $(o(1), O(n^{-\Omega({1})}))$-jointly differentially private, where $n$ is the number of agents; (2) it is an $o(\frac{1}{n})$-approximate Bayes Nash equilibrium for a $(1-o(1))$-fraction of agents to truthfully report their data; (3) the output could achieve an error of $o(1)$ to the underlying parameter; (4) it is individually rational for a $(1-o(1))$ fraction of agents in the mechanism; (5) the payment budget required from the analyst to run the mechanism is $o(1)$. To the best of our knowledge, this is the first study on designing truthful (and privacy-preserving) mechanisms for high dimensional sparse linear regression.

Normalization layers have recently experienced a renaissance in the deep reinforcement learning and continual learning literature, with several works highlighting diverse benefits such as improving loss landscape conditioning and combatting overestimation bias. However, normalization brings with it a subtle but important side effect: an equivalence between growth in the norm of the network parameters and decay in the effective learning rate. This becomes problematic in continual learning settings, where the resulting learning rate schedule may decay to near zero too quickly relative to the timescale of the learning problem. We propose to make the learning rate schedule explicit with a simple re-parameterization which we call Normalize-and-Project (NaP), which couples the insertion of normalization layers with weight projection, ensuring that the effective learning rate remains constant throughout training. This technique reveals itself as a powerful analytical tool to better understand learning rate schedules in deep reinforcement learning, and as a means of improving robustness to nonstationarity in synthetic plasticity loss benchmarks along with both the single-task and sequential variants of the Arcade Learning Environment. We also show that our approach can be easily applied to popular architectures such as ResNets and transformers while recovering and in some cases even slightly improving the performance of the base model in common stationary benchmarks.

In the field of computational advertising, the integration of ads into the outputs of large language models (LLMs) presents an opportunity to support these services without compromising content integrity. This paper introduces novel auction mechanisms for ad allocation and pricing within the textual outputs of LLMs, leveraging retrieval-augmented generation (RAG). We propose a \emph{segment auction} where an ad is probabilistically retrieved for each discourse segment (paragraph, section, or entire output) according to its bid and relevance, following the RAG framework, and priced according to competing bids. We show that our auction maximizes logarithmic social welfare, a new notion of welfare that balances allocation efficiency and fairness, and we characterize the associated incentive-compatible pricing rule. These results are extended to multi-ad allocation per segment. An empirical evaluation validates the feasibility and effectiveness of our approach over several ad auction scenarios, and exhibits inherent tradeoffs in metrics as we allow the LLM more flexibility to allocate ads.

Video diffusion models have made substantial progress in various video generation applications. However, training models for long video generation tasks require significant computational and data resources, posing a challenge to developing long video diffusion models.This paper investigates a straightforward and training-free approach to extend an existing short video diffusion model (e.g. pre-trained on 16-frame videos) for consistent long video generation (e.g. 128 frames). Our preliminary observation has found that directly applying the short video diffusion model to generate long videos can lead to severe video quality degradation. Further investigation reveals that this degradation is primarily due to the distortion of high-frequency components in long videos, characterized by a decrease in spatial high-frequency components and an increase in temporal high-frequency components. Motivated by this, we propose a novel solution named FreeLong to balance the frequency distribution of long video features during the denoising process. FreeLong blends the low-frequency components of global video features, which encapsulate the entire video sequence, with the high-frequency components of local video features that focus on shorter subsequences of frames. This approach maintains global consistency while incorporating diverse and high-quality spatiotemporal details from local videos, enhancing both the consistency and fidelity of long video generation. We evaluated FreeLong on multiple base video diffusion models and observed significant improvements. Additionally, our method supports coherent multi-prompt generation, ensuring both visual coherence and seamless transitions between scenes. Our project page is at: https://yulu.net.cn/freelong.

Federated learning (FL) is a distributed learning framework that leverages commonalities between distributed client datasets to train a global model. Under heterogeneous clients, however, FL can fail to produce stable training results. Personalized federated learning (PFL) seeks to address this by learning individual models tailored to each client. One approach is to decompose model training into shared representation learning and personalized classifier training. Nonetheless, previous works struggle to navigate the bias-variance trade-off in classifier learning, relying solely on limited local datasets or introducing costly techniques to improve generalization.In this work, we frame representation learning as a generative modeling task, where representations are trained with a classifier based on the global feature distribution. We then propose an algorithm, pFedFDA, that efficiently generates personalized models by adapting global generative classifiers to their local feature distributions. Through extensive computer vision benchmarks, we demonstrate that our method can adjust to complex distribution shifts with significant improvements over current state-of-the-art in data-scarce settings.

In federated learning, it is common to assume that clients are always available to participate in training, which may not be feasible with user devices in practice. Recent works analyze federated learning under more realistic participation patterns, such as cyclic client availability or arbitrary participation. However, all such works either require strong assumptions (e.g., all clients participate almost surely within a bounded window), do not achieve linear speedup and reduced communication rounds, or are not applicable in the general non-convex setting. In this work, we focus on nonconvex optimization and consider participation patterns in which the chance of participation over a fixed window of rounds is equal among all clients, which includes cyclic client availability as a special case. Under this setting, we propose a new algorithm, named Amplified SCAFFOLD, and prove that it achieves linear speedup, reduced communication, and resilience to data heterogeneity simultaneously. In particular, for cyclic participation, our algorithm is proved to enjoy $\mathcal{O}(\epsilon^{-2})$ communication rounds to find an $\epsilon$-stationary point in the non-convex stochastic setting. In contrast, the prior work under the same setting requires $\mathcal{O}(\kappa^2 \epsilon^{-4})$ communication rounds, where $\kappa$ denotes the data heterogeneity. Therefore, our algorithm significantly reduces communication rounds due to better dependency in terms of $\epsilon$ and $\kappa$. Our analysis relies on a fine-grained treatment of the nested dependence between client participation and errors in the control variates, which results in tighter guarantees than previous work. We also provide experimental results with (1) synthetic data and (2) real-world data with a large number of clients $(N = 250)$, demonstrating the effectiveness of our algorithm under periodic client participation.

Fine-tuning large-scale pretrained models is prohibitively expensive in terms of computational and memory costs. LoRA, as one of the most popular Parameter-Efficient Fine-Tuning (PEFT) methods, offers a cost-effective alternative by fine-tuning an auxiliary low-rank model that has significantly fewer parameters. Although LoRA reduces the computational and memory requirements significantly at each iteration, extensive empirical evidence indicates that it converges at a considerably slower rate compared to full fine-tuning, ultimately leading to increased overall compute and often worse test performance. In our paper, we perform an in-depth investigation of the initialization method of LoRA and show that careful initialization (without any change of the architecture and the training algorithm) can significantly enhance both efficiency and performance. In particular, we introduce a novel initialization method, LoRA-GA (Low Rank Adaptation with Gradient Approximation), which aligns the gradients of low-rank matrix product with those of full fine-tuning at the first step. Our extensive experiments demonstrate that LoRA-GA achieves a convergence rate comparable to that of full fine-tuning (hence being significantly faster than vanilla LoRA as well as various recent improvements) while simultaneously attaining comparable or even better performance. For example, on the subset of the GLUE dataset with T5-Base, LoRA-GA outperforms LoRA by 5.69% on average. On larger models such as Llama 2-7B, LoRA-GA shows performance improvements of 0.34, 11.52%, and 5.05% on MTbench, GSM8k, and Human-eval, respectively. Additionally, we observe up to 2-4 times convergence speed improvement compared to vanilla LoRA, validating its effectiveness in accelerating convergence and enhancing model performance.

Deep predictive models of neuronal activity have recently enabled several new discoveries about the selectivity and invariance of neurons in the visual cortex.These models learn a shared set of nonlinear basis functions, which are linearly combined via a learned weight vector to represent a neuron's function.Such weight vectors, which can be thought as embeddings of neuronal function, have been proposed to define functional cell types via unsupervised clustering.However, as deep models are usually highly overparameterized, the learning problem is unlikely to have a unique solution, which raises the question if such embeddings can be used in a meaningful way for downstream analysis.In this paper, we investigate how stable neuronal embeddings are with respect to changes in model architecture and initialization. We find that $L_1$ regularization to be an important ingredient for structured embeddings and develop an adaptive regularization that adjusts the strength of regularization per neuron. This regularization improves both predictive performance and how consistently neuronal embeddings cluster across model fits compared to uniform regularization.To overcome overparametrization, we propose an iterative feature pruning strategy which reduces the dimensionality of performance-optimized models by half without loss of performance and improves the consistency of neuronal embeddings with respect to clustering neurons.Our results suggest that to achieve an objective taxonomy of cell types or a compact representation of the functional landscape, we need novel architectures or learning techniques that improve identifiability. The code is available https://github.com/pollytur/readout_reproducibility.

Unsupervised Environment Design (UED) formalizes the problem of autocurricula through interactive training between a teacher agent and a student agent. The teacher generates new training environments with high learning potential, curating an adaptive curriculum that strengthens the student's ability to handle unseen scenarios. Existing UED methods mainly rely on regret, a metric that measures the difference between the agent's optimal and actual performance, to guide curriculum design. Regret-driven methods generate curricula that progressively increase environment complexity for the student but overlook environment novelty — a critical element for enhancing an agent's generalizability. Measuring environment novelty is especially challenging due to the underspecified nature of environment parameters in UED, and existing approaches face significant limitations. To address this, this paper introduces the Coverage-based Evaluation of Novelty In Environment (CENIE) framework. CENIE proposes a scalable, domain-agnostic, and curriculum-aware approach to quantifying environment novelty by leveraging the student's state-action space coverage from previous curriculum experiences. We then propose an implementation of CENIE that models this coverage and measures environment novelty using Gaussian Mixture Models. By integrating both regret and novelty as complementary objectives for curriculum design, CENIE facilitates effective exploration across the state-action space while progressively increasing curriculum complexity. Empirical evaluations demonstrate that augmenting existing regret-based UED algorithms with CENIE achieves state-of-the-art performance across multiple benchmarks, underscoring the effectiveness of novelty-driven autocurricula for robust generalization.

The trade-off between cost and performance has been a longstanding and critical issue for deep neural networks. One key factor affecting the computational cost is the width of each layer. However, in practice, the width of layers in a neural network is mostly empirically determined. In this paper, we show that a pattern regarding the variance of weight norm corresponding to different channels can indicate whether the layer is sufficiently wide and may help us better allocate computational resources across the layers.Starting from a simple intuition that channels with larger weights would have larger gradients and the difference in weight norm enlarges between channels with similar weight, we empirically validate that wide and narrow layers show two different patterns with experiments across different data modalities and network architectures. Based on the two different patterns, we identify three stages during training and explain each stage with corresponding evidence. We further propose to adjust the width based on the identified pattern and show that conventional layer width settings for CNNs could be adjusted to reduce the number of parameters while boosting the performance.

The pre-trained text-to-image diffusion models have been increasingly employed to tackle the real-world image super-resolution (Real-ISR) problem due to their powerful generative image priors. Most of the existing methods start from random noise to reconstruct the high-quality (HQ) image under the guidance of the given low-quality (LQ) image. While promising results have been achieved, such Real-ISR methods require multiple diffusion steps to reproduce the HQ image, increasing the computational cost. Meanwhile, the random noise introduces uncertainty in the output, which is unfriendly to image restoration tasks. To address these issues, we propose a one-step effective diffusion network, namely OSEDiff, for the Real-ISR problem. We argue that the LQ image contains rich information to restore its HQ counterpart, and hence the given LQ image can be directly taken as the starting point for diffusion, eliminating the uncertainty introduced by random noise sampling. We finetune the pre-trained diffusion network with trainable layers to adapt it to complex image degradations. To ensure that the one-step diffusion model could yield HQ Real-ISR output, we apply variational score distillation in the latent space to conduct KL-divergence regularization. As a result, our OSEDiff model can efficiently and effectively generate HQ images in just one diffusion step. Our experiments demonstrate that OSEDiff achieves comparable or even better Real-ISR results, in terms of both objective metrics and subjective evaluations, than previous diffusion model-based Real-ISR methods that require dozens or hundreds of steps. The source codes are released at https://github.com/cswry/OSEDiff.

The Segmentation Anything Model (SAM) requires labor-intensive data labeling. We present Unsupervised SAM (UnSAM) for promptable and automatic whole-image segmentation that does not require human annotations. UnSAM utilizes a divide-and-conquer strategy to “discover” the hierarchical structure of visual scenes. We first leverage top-down clustering methods to partition an unlabeled image into instance/semantic level segments. For all pixels within a segment, a bottom-up clustering method is employed to iteratively merge them into larger groups, thereby forming a hierarchical structure. These unsupervised multi-granular masks are then utilized to supervise model training. Evaluated across seven popular datasets, UnSAM achieves competitive results with the supervised counterpart SAM, and surpasses the previous state-of-the-art in unsupervised segmentation by 11% in terms of AR. Moreover, we show that supervised SAM can also benefit from our self-supervised labels. By integrating our unsupervised pseudo masks into SA-1B’s ground-truth masks and training UnSAM with only 1% of SA-1B, a lightly semi-supervised UnSAM can often segment entities overlooked by supervised SAM, exceeding SAM’s AR by over 6.7% and AP by 3.9% on SA-1B.

Interactive preference learning systems present humans with queries as pairs of options; humans then select their preferred choice, allowing the system to infer preferences from these binary choices. While binary choice feedback is simple and widely used, it offers limited information about preference strength. To address this, we leverage human response times, which inversely correlate with preference strength, as complementary information. We introduce a computationally efficient method based on the EZ-diffusion model, combining choices and response times to estimate the underlying human utility function. Theoretical and empirical comparisons with traditional choice-only estimators show that for queries where humans have strong preferences (i.e., "easy" queries), response times provide valuable complementary information and enhance utility estimates. We integrate this estimator into preference-based linear bandits for fixed-budget best-arm identification. Simulations on three real-world datasets demonstrate that incorporating response times significantly accelerates preference learning.

Tables contain factual and quantitative data accompanied by various structures and contents that pose challenges for machine comprehension. Previous methods generally design task-specific architectures and objectives for individual tasks, resulting in modal isolation and intricate workflows. In this paper, we present a novel large vision-language model, TabPedia, equipped with a concept synergy mechanism. In this mechanism, all the involved diverse visual table understanding (VTU) tasks and multi-source visual embeddings are abstracted as concepts. This unified framework allows TabPedia to seamlessly integrate VTU tasks, such as table detection, table structure recognition, table querying, and table question answering, by leveraging the capabilities of large language models (LLMs). Moreover, the concept synergy mechanism enables table perception-related and comprehension-related tasks to work in harmony, as they can effectively leverage the needed clues from the corresponding source perception embeddings. Furthermore, to better evaluate the VTU task in real-world scenarios, we establish a new and comprehensive table VQA benchmark, ComTQA, featuring approximately 9,000 QA pairs. Extensive quantitative and qualitative experiments on both table perception and comprehension tasks, conducted across various public benchmarks, validate the effectiveness of our TabPedia. The superior performance further confirms the feasibility of using LLMs for understanding visual tables when all concepts work in synergy. The benchmark ComTQA has been open-sourced at https://huggingface.co/datasets/ByteDance/ComTQA. The source code and model also have been released at https://github.com/zhaowc-ustc/TabPedia.

Equivariant deep learning architectures exploit symmetries in learning problems to improve the sample efficiency of neural-network-based models and their ability to generalise. However, when modelling real-world data, learning problems are often not exactly equivariant, but only approximately. For example, when estimating the global temperature field from weather station observations, local topographical features like mountains break translation equivariance. In these scenarios, it is desirable to construct architectures that can flexibly depart from exact equivariance in a data-driven way. Current approaches to achieving this cannot usually be applied out-of-the-box to any architecture and symmetry group. In this paper, we develop a general approach to achieving this using existing equivariant architectures. Our approach is agnostic to both the choice of symmetry group and model architecture, making it widely applicable. We consider the use of approximately equivariant architectures in neural processes (NPs), a popular family of meta-learning models. We demonstrate the effectiveness of our approach on a number of synthetic and real-world regression experiments, showing that approximately equivariant NP models can outperform both their non-equivariant and strictly equivariant counterparts.

We introduce \textbf{N}on-\textbf{Euc}lidean-\textbf{MDS} (Neuc-MDS), which extends Multidimensional Scaling (MDS) to generate outputs that can be non-Euclidean and non-metric. The main idea is to generalize the inner product to other symmetric bilinear forms to utilize the negative eigenvalues of dissimiliarity Gram matrices. Neuc-MDS efficiently optimizes the choice of (both positive and negative) eigenvalues of the dissimilarity Gram matrix to reduce STRESS, the sum of squared pairwise error. We provide an in-depth error analysis and proofs of the optimality in minimizing lower bounds of STRESS. We demonstrate Neuc-MDS's ability to address limitations of classical MDS raised by prior research, and test it on various synthetic and real-world datasets in comparison with both linear and non-linear dimension reduction methods.

Transformer-based architectures have been proven successful in detecting 3D objects from point clouds. However, the quadratic complexity of the attention mechanism struggles to encode rich information as point cloud resolution increases. Recently, state space models (SSM) such as Mamba have gained great attention due to their linear complexity and long sequence modeling ability for language understanding. To exploit the potential of Mamba on 3D scene-level perception, for the first time, we propose 3DET-Mamba, which is a novel SSM-based model designed for indoor 3d object detection. Specifically, we divide the point cloud into different patches and use a lightweight yet effective Inner Mamba to capture local geometric information. To observe the scene from a global perspective, we introduce a novel Dual Mamba module that models the point cloud in terms of spatial distribution and continuity. Additionally, we design a Query-aware Mamba module that decodes context features into object sets under the guidance of learnable queries. Extensive experiments demonstrate that 3DET-Mamba surpasses previous 3DETR on indoor 3D detection benchmarks such as ScanNet, improving AP25/AP50 from 65.0\%/47.0\% to 70.4\%/54.4\%, respectively.

We consider scenarios where a very accurate (often small) predictive model using restricted features is available when training a full-featured (often larger) model. This restricted model may be thought of as ``side-information'', and can come either from an auxiliary dataset or from the same dataset by forcing the restriction. How can the restricted model be useful to the full model? To answer this, we introduce a methodology called Induced Model Matching (IMM). IMM aligns the context-restricted, or induced, version of the large model with the restricted model. We relate IMM to approaches such as noising, which is implicit in addressing the problem, and reverse knowledge distillation from weak teachers, which is explicit but does not exploit restriction being the nature of the weakness. We show that these prior methods can be thought of as approximations to IMM and can be problematic in terms of consistency. Experimentally, we first motivate IMM using logistic regression as a toy example. We then explore it in language modeling, the application that initially inspired it, and demonstrate it on both LSTM and transformer full models, using bigrams as restricted models. We lastly give a simple RL example, which shows that POMDP policies can help learn better MDP policies. The IMM principle is thus generally applicable in common scenarios where restricted data is cheaper to collect or restricted models are easier to learn.

In the adversarial streaming model, the input is a sequence of adaptive updates that defines an underlying dataset and the goal is to approximate, collect, or compute some statistic while using space sublinear in the size of the dataset. In 2022, Ben-Eliezer, Eden, and Onak showed a dense-sparse trade-off technique that elegantly combined sparse recovery with known techniques using differential privacy and sketch switching to achieve adversarially robust algorithms for $L_p$ estimation and other algorithms on turnstile streams. However, there has been no progress since, either in terms of achievability or impossibility. In this work, we first give improved algorithms for adversarially robust $L_p$-heavy hitters, utilizing deterministic turnstile heavy-hitter algorithms with better tradeoffs. We then utilize our heavy-hitter algorithm to reduce the problem to estimating the frequency moment of the tail vector. We give a new algorithm for this problem in the classical streaming setting, which achieves additive error and uses space independent in the size of the tail. We then leverage these ingredients to give an improved algorithm for adversarially robust $L_p$ estimation on turnstile streams. We believe that our results serve as an important conceptual message, demonstrating that there is no inherent barrier at the previous state-of-the-art.

We introduce a novel approach for detecting distribution shifts that negatively impact the performance of machine learning models in continuous production environments, which requires no access to ground truth data labels. It builds upon the work of Podkopaev and Ramdas [2022], who address scenarios where labels are available for tracking model errors over time. Our solution extends this framework to work in the absence of labels, by employing a proxy for the true error. This proxy is derived using the predictions of a trained error estimator. Experiments show that our method has high power and false alarm control under various distribution shifts, including covariate and label shifts and natural shifts over geography and time.

With the continued advancement of Large Language Models (LLMs) Agents in reasoning, planning, and decision-making, benchmarks have become crucial in evaluating these skills. However, there is a notable gap in benchmarks for real-time strategic decision-making. StarCraft II (SC2), with its complex and dynamic nature, serves as an ideal setting for such evaluations. To this end, we have developed TextStarCraft II, a specialized environment for assessing LLMs in real-time strategic scenarios within SC2. Addressing the limitations of traditional Chain of Thought (CoT) methods, we introduce the Chain of Summarization (CoS) method, enhancing LLMs' capabilities in rapid and effective decision-making. Our key experiments included:1. LLM Evaluation: Tested 10 LLMs in TextStarCraft II, most of them defeating LV5 build-in AI, showcasing effective strategy skills.2. Commercial Model Knowledge: Evaluated four commercial models on SC2 knowledge; GPT-4 ranked highest by Grandmaster-level experts.3. Human-AI Matches: Experimental results showed that fine-tuned LLMs performed on par with Gold-level players in real-time matches, demonstrating comparable strategic abilities.All code and data from thisstudy have been made pulicly available at https://github.com/histmeisah/Large-Language-Models-play-StarCraftII

Large Language Models (LLMs) are being used for a wide variety of tasks. While they are capable of generating human-like responses, they can also produce undesirable output including potentially harmful information, racist or sexist language, and hallucinations. Alignment methods are designed to reduce such undesirable output, via techniques such as fine-tuning, prompt engineering, and representation engineering. However, existing methods face several challenges: some require costly fine-tuning for every alignment task; some do not adequately remove undesirable concepts, failing alignment; some remove benign concepts, lowering the linguistic capabilities of LLMs. To address these issues, we propose Parsimonious Concept Engineering (PaCE), a novel activation engineering framework for alignment. First, to sufficiently model the concepts, we construct a large-scale concept dictionary in the activation space, in which each atom corresponds to a semantic concept. Given any alignment task, we instruct a concept partitioner to efficiently annotate the concepts as benign or undesirable. Then, at inference time, we decompose the LLM activations along the concept dictionary via sparse coding, to accurately represent the activations as linear combinations of benign and undesirable components. By removing the latter ones from the activations, we reorient the behavior of the LLM towards the alignment goal. We conduct experiments on tasks such as response detoxification, faithfulness enhancement, and sentiment revising, and show that PaCE achieves state-of-the-art alignment performance while maintaining linguistic capabilities.

Adverse weather conditions can significantly degrade the video frames, causing existing video semantic segmentation methods to produce erroneous predictions. In this work, we target adverse weather conditions and introduce an end-to-end domain adaptation strategy that leverages a fusion block, temporal-spatial teacher-student learning, and a temporal weather degradation augmentation approach. The fusion block integrates temporal information from adjacent frames at the feature level, trained end-to-end, eliminating the need for pretrained optical flow, distinguishing our method from existing approaches. Our teacher-student approach involves two teachers: one focuses on exploring temporal information from adjacent frames, and the other harnesses spatial information from the current frame. Finally, we apply temporal weather degradation augmentation to consecutive frames to more accurately represent adverse weather degradations. Our method achieves a performance of 25.4 and 33.0 mIoU on the adaptation from VIPER and Synthia to MVSS, respectively, representing an improvement of 4.3 and 5.8 mIoU over the existing state-of-the-art method.

Transformer-based autoregressive sampling has been the major bottleneck for slowing down large language model inferences. One effective way to accelerate inference is Speculative Decoding, which employs a small model to sample a sequence of draft tokens and a large model to validate. Given its empirical effectiveness, the theoretical understanding of Speculative Decoding is falling behind. This paper tackles this gap by conceptualizing the decoding problem via markov chain abstraction and studying the key properties, output quality and inference acceleration, from a theoretical perspective. Our analysis covers the theoretical limits of speculative decoding, batch algorithms, and output quality-inference acceleration tradeoffs. Our results reveal the fundamental connections between different components of LLMs via total variation distances and show how they jointly affect the efficiency of decoding algorithms.

Numerous industrial sectors necessitate models capable of providing robust forecasts across various horizons. Despite the recent strides in crafting specific architectures for time-series forecasting and developing pre-trained universal models, a comprehensive examination of their capability in accommodating varied-horizon forecasting during inference is still lacking. This paper bridges this gap through the design and evaluation of the Elastic Time-Series Transformer (ElasTST). The ElasTST model incorporates a non-autoregressive design with placeholders and structured self-attention masks, warranting future outputs that are invariant to adjustments in inference horizons. A tunable version of rotary position embedding is also integrated into ElasTST to capture time-series-specific periods and enhance adaptability to different horizons. Additionally, ElasTST employs a multi-scale patch design, effectively integrating both fine-grained and coarse-grained information. During the training phase, ElasTST uses a horizon reweighting strategy that approximates the effect of random sampling across multiple horizons with a single fixed horizon setting. Through comprehensive experiments and comparisons with state-of-the-art time-series architectures and contemporary foundation models, we demonstrate the efficacy of ElasTST's unique design elements. Our findings position ElasTST as a robust solution for the practical necessity of varied-horizon forecasting.

Interacting systems are prevalent in nature. It is challenging to accurately predict the dynamics of the system if its constituent components are analyzed independently. We develop a graph-based model that unveils the systemic interactions of time series observed at irregular time points, by using a directed acyclic graph to model the conditional dependencies (a form of causal notation) of the system components and learning this graph in tandem with a continuous-time model that parameterizes the solution curves of ordinary differential equations (ODEs). Our technique, a graph neural flow, leads to substantial enhancements over non-graph-based methods, as well as graph-based methods without the modeling of conditional dependencies. We validate our approach on several tasks, including time series classification and forecasting, to demonstrate its efficacy.

In this paper, we study the role of initialization in Low Rank Adaptation (LoRA) as originally introduced in Hu et al. (2021). Essentially, to start from the pretrained model, one can either initialize $B$ to zero and $A$ to random, or vice-versa. In both cases, the product $BA$ is equal to zero at initialization, which makes finetuning starts from the pretrained model. These two initialization schemes are seemingly similar. They should in-principle yield the same performance and share the same optimal learning rate. We demonstrate that this is an *incorrect intuition* and that the first scheme (of initializing $B$ to zero and $A$ to random) on average in our experiments yields better performance compared to the other scheme. Our theoretical analysis shows that the reason behind this might be that the first initialization allows the use of larger learning rates (without causing output instability) compared to the second initialization, resulting in more efficient learning of the first scheme. We validate our results with extensive experiments on LLMs.

A critical approach for efficiently deploying computationally demanding large language models (LLMs) is Key-Value (KV) caching. The KV cache stores key-value states of previously generated tokens, significantly reducing the need for repetitive computations and thereby lowering latency in autoregressive generation. However, the size of the KV cache grows linearly with sequence length, posing challenges for applications requiring long context input and extensive sequence generation. In this paper, we present a simple yet effective approach, called MiniCache, to compress the KV cache across layers from a novel depth perspective, significantly reducing the memory footprint for LLM inference. Our approach is based on the observation that KV cache states exhibit high similarity between the adjacent layers in the middle-to-deep portion of LLMs. To facilitate merging, we propose disentangling the states into the magnitude and direction components, interpolating the directions of the state vectors while preserving their lengths unchanged. Furthermore, we introduce a token retention strategy to keep highly distinct state pairs unmerged, thus preserving the information with minimal additional storage overhead. Our MiniCache is training-free and general, complementing existing KV cache compression strategies, such as quantization and sparsity. We conduct a comprehensive evaluation of MiniCache utilizing various models including LLaMA-2, LLaMA-3, Phi-3, Mistral, and Mixtral across multiple benchmarks, demonstrating its exceptional performance in achieving superior compression ratios and high throughput. On the ShareGPT dataset, LLaMA-2-7B with cross-layer merging achieves a compression ratio of $1.53\times$. Additionally, since MiniCache is orthogonal to existing quantization techniques, it can achieve a compression ratio of up to $5.02\times$ when combined with the 4-bit quantization technique, enhancing inference throughput by approximately $5\times$ and reducing the memory footprint by $41\%$ compared to the FP16 full cache baseline, all while maintaining near-lossless performance. Project is available at https://minicache.vmv.re .

Fine-tuning Diffusion Models remains an underexplored frontier in generative artificial intelligence (GenAI), especially when compared with the remarkable progress made in fine-tuning Large Language Models (LLMs). While cutting-edge diffusion models such as Stable Diffusion (SD) and SDXL rely on supervised fine-tuning, their performance inevitably plateaus after seeing a certain volume of data. Recently, reinforcement learning (RL) has been employed to fine-tune diffusion models with human preference data, but it requires at least two images (winner'' andloser'' images) for each text prompt.In this paper, we introduce an innovative technique called self-play fine-tuning for diffusion models (SPIN-Diffusion), where the diffusion model engages in competition with its earlier versions, facilitating an iterative self-improvement process. Our approach offers an alternative to conventional supervised fine-tuning and RL strategies, significantly improving both model performance and alignment. Our experiments on the Pick-a-Pic dataset reveal that SPIN-Diffusion outperforms the existing supervised fine-tuning method in aspects of human preference alignment and visual appeal right from its first iteration. By the second iteration, it exceeds the performance of RLHF-based methods across all metrics, achieving these results with less data. Codes are available at \url{https://github.com/uclaml/SPIN-Diffusion/}.

This paper introduces SICSM, a novel structural inference framework that integrates Selective State Space Models (selective SSMs) with Generative Flow Networks (GFNs) to handle the challenges posed by dynamical systems with irregularly sampled trajectories and partial observations. By utilizing the robust temporal modeling capabilities of selective SSMs, our approach learns input-dependent transition functions that adapt to non-uniform time intervals, thereby enhancing the accuracy of structural inference. By aggregating dynamics across diverse temporal dependencies and channeling them into the GFN, the SICSM adeptly approximates the posterior distribution of the system's structure. This process not only enables precise inference of complex interactions within partially observed systems but also ensures the seamless integration of prior knowledge, enhancing the model’s accuracy and robustness.Extensive evaluations on sixteen diverse datasets demonstrate that SICSM outperforms existing methods, particularly in scenarios characterized by irregular sampling and incomplete observations, which highlight its potential as a reliable tool for scientific discovery and system diagnostics in disciplines that demand precise modeling of complex interactions.

The online bipartite matching problem, extensively studied in the literature, deals with the allocation of online arriving vertices (items) to a predetermined set of offline vertices (agents). However, little attention has been given to the concept of class fairness, where agents are categorized into different classes, and the matching algorithm must ensure equitable distribution across these classes.We here focus on randomized algorithms for the fair matching of indivisible items, subject to various definitions of fairness. Our main contribution is the first (randomized) non-wasteful algorithm that simultaneously achieves a $1/2$ approximation to class envy-freeness (CEF) while simultaneously ensuring an equivalent approximation to the class proportionality (CPROP) and utilitarian social welfare (USW) objectives. We supplement this result by demonstrating that no non-wasteful algorithm can achieve an $\alpha$-CEF guarantee for $\alpha > 0.761$. In a similar vein, we provide a novel input instance for deterministic divisible matching that demonstrates a nearly tight CEF approximation.Lastly, we define the ``price of fairness," which represents the trade-off between optimal and fair matching. We demonstrate that increasing the level of fairness in the approximation of the solution leads to a decrease in the objective of maximizing USW, following an inverse proportionality relationship.

Structured state space models (SSMs), the core engine behind prominent neural networks such as S4 and Mamba, are linear dynamical systems adhering to a specified structure, most notably diagonal. In contrast to typical neural network modules, whose parameterizations are real, SSMs often use complex parameterizations. Theoretically explaining the benefits of complex parameterizations for SSMs is an open problem. The current paper takes a step towards its resolution, by establishing formal gaps between real and complex diagonal SSMs. Firstly, we prove that while a moderate dimension suffices in order for a complex SSM to express all mappings of a real SSM, a much higher dimension is needed for a real SSM to express mappings of a complex SSM. Secondly, we prove that even if the dimension of a real SSM is high enough to express a given mapping, typically, doing so requires the parameters of the real SSM to hold exponentially large values, which cannot be learned in practice. In contrast, a complex SSM can express any given mapping with moderate parameter values. Experiments corroborate our theory, and suggest a potential extension of the theory that accounts for selectivity, a new architectural feature yielding state of the art performance.

We consider the problem of online multiclass U-calibration, where a forecaster aims to make sequential distributional predictions over $K$ classes with low U-calibration error, that is, low regret with respect to all bounded proper losses simultaneously. Kleinberg et al. (2023) developed an algorithm with U-calibration error $\mathcal{O}(K\sqrt{T})$ after $T$ rounds and raised the open question of what the optimal bound is. We resolve this question by showing that the optimal U-calibration error is $\Theta(\sqrt{KT})$ --- we start with a simple observation that the Follow-the-Perturbed-Leader algorithm of Daskalakis and Syrgkanis (2016) achieves this upper bound, followed by a matching lower bound constructed with a specific proper loss (which, as a side result, also proves the optimality of the algorithm of Daskalakis and Syrgkanis (2016) in the context of online learning against an adversary with finite choices). We also strengthen our results under natural assumptions on the loss functions, including $\Theta(\log T)$ U-calibration error for Lipschitz proper losses, $\mathcal{O}(\log T)$ U-calibration error for a certain class of decomposable proper losses, U-calibration error bounds for proper losses with a low covering number, and others.