Author

Yatao Bian

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Preprint Jul 2026

Chemical Chain-of-Thought Functions as a Hallucination-Prone Molecular Scratchpad

The results show that chemical CoT is neither a faithful explanation nor merely a post-hoc rationalization, but a hallucination-prone molecular scratchpad, which cautions against treating CoT as direct evidence of faithful reasoning and motivates process-level supervision beyond answer-only evaluation.

Jiatong Li, Yuxuan Ren, Weida Wang et al. · 1 citation

Preprint Jul 2026

Do LLMs Truly Generalize in the Molecular Domain? A Perturbation-Based Analysis

A Molecular Perturbation framework that generates syntax-valid structural variants of training molecules under controlled Graph Edit Distance (GED) to probe the manifold regularity of molecular LLMs and suggests that it can partially expand the local trust region and offer a promising direction for stabilizing molecular LLMs against structural variation.

Jiatong Li, Weida Wang, Changmeng Zheng et al. · 0 citations