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
Abstract
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.
BibTeX
@inproceedings{
ye2026latentchem,
title={LatentChem: From Textual CoT to Latent Thinking in Chemical Reasoning},
author={Xinwu Ye and Yicheng Mao and Yuxuan Liao and Jia Zhang and Yimeng Liu and Li Hao and Fang Wu and Zhiwei Li and Zehong Wang 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},
booktitle={Forty-third International Conference on Machine Learning},
year={2026},
url={https://openreview.net/forum?id=Ul6hU6WkDL}
}