LatentChem: From Textual CoT to Latent Thinking in Chemical Reasoning
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 10.84 average reduction in reasoning overhead. Our results provide empirical evidence that chemical reasoning is more naturally and effectively realized as continuous latent dynamics rather than discretized linguistic trajectories.
Cite
@article{arxiv.2602.07075,
title = {LatentChem: From Textual CoT to Latent Thinking in Chemical Reasoning},
author = {Xinwu Ye and Yicheng Mao and Jia Zhang and Yimeng Liu and Li Hao and Fang Wu and Zhiwei Li and Yuxuan Liao and Zehong Wang and Yingcheng Wu and Zhiyuan Liu and Zhenfei Yin and Li Yuan and Philip Torr and Huan Sun and Xiangxiang Zeng and Mengdi Wang and Le Cong and Shenghua Gao and Xiangru Tang},
journal= {arXiv preprint arXiv:2602.07075},
year = {2026}
}