Large Language Models

LatentChem: From Textual CoT to Latent Thinking in Chemical Reasoning

XXinwu YeYYicheng MaoJJia ZhangYYimeng LiuLLi HaoFFang WuZZhiwei LiYYuxuan LiaoZZehong WangZZhiyuan LiuZZhenfei YinLLi YuanPPhilip TorrHHuan SunXXiangxiang ZengMMengdi WangLLe CongSShenghua GaoXXiangru Tang
Published
February 6, 2026
Authors
19

Abstract

Chemical large language models (LLMs) predominantly rely on explicit Chain-of-Thought (CoT) in natural language to perform complex reasoning. However, chemical reasoning is inherently continuous and structural, and forcing it into discrete linguistic tokens introduces a fundamental representation mismatch that constrains both efficiency and performance. We introduce LatentChem, a latent reasoning interface that decouples chemical computation from textual generation, enabling models to perform multi-step reasoning directly in continuous latent space while emitting language only for final outputs. Remarkably, we observe a consistent emergent behavior: when optimized solely for task success, models spontaneously internalize reasoning, progressively abandoning verbose textual derivations in favor of implicit latent computation. This shift is not merely stylistic but computationally advantageous. Across diverse chemical reasoning benchmarks, LatentChem achieves a 59.88\% non-tie win rate over strong CoT-based baselines on ChemCoTBench, while delivering a 10.84times average inference speedup. Our results provide empirical evidence that chemical reasoning is more naturally and effectively realized as continuous latent dynamics rather than discretized linguistic trajectories.

Keywords

chemical large language modelsChain-of-Thoughtlatent reasoningcontinuous latent spacetextual generationmulti-step reasoningChemCoTBenchinference speedup

More in Large Language Models

View all
LatentChem: From Textual CoT to Latent Thinking in Chemical Reasoning | Paperchime