Poster
in
Workshop: AI4Mat-2024: NeurIPS 2024 Workshop on AI for Accelerated Materials Design
ChemLit-QA: A human evaluated dataset for chemistry RAG tasks
Geemi Wellawatte · Huixuan Guo · Magdalena Lederbauer · Anna Borisova · Matthew Hart · Marta Brucka · Philippe Schwaller
Keywords: [ finetuning ] [ Datasets in Chemistry ] [ Large Language Models ] [ RAG ]
Sat 14 Dec 8:15 a.m. PST — 5:20 p.m. PST
Retrieval-Augmented Generation (RAG) is a widely used strategy in Large-Language Models (LLMs) to extrapolate beyond the inherent pre-trained knowledge. Hence, RAG is crucial when working in data-sparse fields such as Chemistry.The evaluation of RAG systems is commonly conducted using specialized datasets. However, existing datasets, typically in the form of scientific Question-Answer-Context (QAC) triplets or QA pairs, are often limited in size due to the labor-intensive nature of manual curation or require further quality assessment when generated through automated processes. This highlights a critical need for large, high-quality datasets tailored to scientific applications.We introduce ChemLit-QA, a comprehensive, expert-validated, open-source dataset comprising over 1,000 entries specifically designed for chemistry. Our approach involves the initial generation and filtering of a QAC dataset using an automated framework based on GPT-4 Turbo, followed by rigorous evaluation by chemistry experts. Additionally, we provide two supplementary datasets: ChemLit-QA-neg focused on negative data, and ChemLit-QA-multi focused on multihop reasoning tasks for LLMs, which complement the main dataset on hallucination detection and more reasoning-intensive tasks.