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Paper · arXiv

ChemDIRT: A Diversified Instruction, Representation, and Task Benchmark for Robust Chemistry-LLM Evaluation

The rapid advancement of large language models (LLMs) has led to increasing interest in their application to scientific domains such as chemistry. However, existing chemistry benchmarks often provide only a narrow view of model capability, focusing on limited task sets while overlooking robustness to variations in problem formulation and chemical representation. As a result, reported performance may overestimate a model's true ability to reason consistently across realistic settings. To address this challenge, we introduce ChemDIRT (Diversified Instruction, Representation, and Task Benchmark), a comprehensive evaluation framework designed to assess the robustness of chemical reasoning in ...

AuthorsEric Inae, Tim Gunn, Chris Bond et al.
Primary categorycs.LG
Published21 August 2026
Last updated at source21 August 2026
cs.LG
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