Poster
in
Workshop: Statistical Frontiers in LLMs and Foundation Models
Quantifying Uncertainty in Large Language Models: Applications in Molecular Chemistry Tasks
Zizhang Chen · Pengyu Hong · Sandeep Madireddy
Keywords: [ LLM ] [ Uncertainty Quantifficationm AI4Chemistry ]
Uncertainty quantification enables users to assess the reliability of responses generated by large language models (LLMs). We present a novel Question Rephrasing technique to evaluate the input uncertainty of LLMs, which refers to the uncertainty arising from equivalent variations of the inputs provided to LLMs. This technique is integrated with sampling methods that measure the output uncertainty of LLMs, thereby offering a more comprehensive uncertainty assessment. We validated our approach to property prediction and reaction prediction for molecular chemistry tasks.