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ICML 2026PosterAccept (regular)

LatentChem: From Textual CoT to Latent Thinking in Chemical Reasoning

Xinwu Ye, Yicheng Mao, Jia Zhang, Yimeng (Yoyo) Liu, Hao Li, Fang Wu, Zhiwei Li, Yuxuan Liao, Zehong Wang, Zhiyuan Liu, Zhenfei Yin, Li Yuan, Phil Torr, Huan Sun, xiangxiang Zeng, Mengdi Wang, Le Cong, Shenghua Gao, Robert Tang

The University of Hong Kong · Peking University · University of Toronto · Stanford University · The Hong Kong University of Science and Technology · Yale University · University of Notre Dame · National University of Singapore · University of Oxford · Oxford · The Ohio State University · Hunan University · Princeton University · University of Hong Kong

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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. To investigate this, 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. When optimized for task success, the model voluntarily abandons verbose textual derivations in favor of implicit latent computation, suggesting that it autonomously 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 speedup across all evaluated benchmarks. This empirically validates that chemical logic is inherently better modeled by continuous latent dynamics than by linear linguistic approximations.