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
This work proposes AMRM-Pure, a purification framework that denoises adversarial inputs by preserving patch-level semantics, and formulate this process as a tractable optimization problem with respect to the input.
Zhihao Dou, Zhiqiang Gao, Dongfei Cui et al.· 0 citations
The proposed Chem-R, a general Chemical Reasoning model designed to emulate the deliberative processes of chemists, achieves state-of-the-art performance on comprehensive benchmarks, surpassing leading LLMs, including Gemini-3-Pro and Kimi-k2.5.
Weida Wang, Benteng Chen, Di Zhang et al.· Proceedings of the 32nd ACM...· 0 citations
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