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ICML2026顶会

LatentChem: From Textual CoT to Latent Thinking in Chemical Reasoning

Xinwu Ye, Yicheng Mao, Yuxuan Liao, Jia Zhang, Yimeng (Yoyo) Liu, Hao Li, Fang Wu, Zhiwei Li, Zehong Wang, Zhiyuan Liu, Zhenfei Yin, Li Yuan

2026年份
1顶会引用

摘要

Current chemical large language models (LLMs) predominantly rely on explicit Chain-of-Thought (CoT) to solve complex reasoning problems. However, forcing nonverbal tacit chemical logic into discrete natural language imposes a fundamental ``modality mismatch,'' creating an artificial bottleneck for reasoning. We introduce LatentChem, a reasoning interface that decouples chemical logic from linguistic generation, enabling the model to process information via continuous thought vectors and dynamic perception. Our investigation reveals a pivotal emergent behavior: spontaneous internalization, defined here as self-selected under outcome-only optimization. When optimized for task success, the model abandons verbose textual derivations in favor of implicit latent computation, suggesting that it identifies the continuous manifold as a more native substrate for chemical logic. This paradigm shift also proves to be a superior computational strategy: LatentChem achieves a 59.88% non-tie win rate against the strong CoT baseline on the rigorous ChemCoTBench, while delivering a broad 10.84×\times average reduction in reasoning step overhead (5.96×\times wall-clock speedup) across all evaluated benchmarks. Our results provide empirical evidence that chemical reasoning is more naturally and effectively realized as continuous latent dynamics rather than discretized linguistic trajectories.

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