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LatentChem: From Textual CoT to Latent Thinking in Chemical Reasoning

arXiv cs.CL / 3/16/2026

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Key Points

  • LatentChem introduces a latent reasoning interface that decouples chemical computation from language generation, allowing multi-step reasoning to occur in continuous latent space instead of explicit textual CoT.
  • The approach yields emergent behavior where models internalize reasoning and reduce verbose textual derivations in favor of implicit latent computation when optimized for task success.
  • On ChemCoTBench, LatentChem achieves a 59.88% non-tie win rate over strong CoT baselines and about a 10.84× reduction in reasoning overhead, demonstrating efficiency gains.
  • The work supports viewing chemical reasoning as continuous latent dynamics rather than discretized linguistic trajectories, suggesting new directions for efficient AI reasoning in chemistry.

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\times 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.