MolLean: A Process-Verifiable Language for Chemical Reasoning

One-line takeaway

MolLean enables verifiable chemical reasoning with traceable, executable molecular state transitions and refinement.

MolLean通过可验证的分子状态流程实现化学推理，支持全过程追踪与修正，在多个任务中显著优于传统链式思维，尤其在反应任务中表现更优。

Key points

MolLean introduces a process-verifiable language for chemical reasoning, grounding assertions in explicit molecular states. Its Lean-based kernel validates state transitions and property claims, while a typed witness protocol separates structural checks from external measurements. MolLean-MCP enables interactive, feedback-driven reasoning by exposing state evolution during generation. Experiments on 8,800 examples across 12 tasks show that whole-trace refinement outperforms direct chain-of-thought, with MolLean-MCP enhancing performance in reaction tasks.

• MolLean grounds chemical reasoning in explicit molecular states for verifiability.
• A layered Lean kernel validates state transitions and molecular assertions step-by-step.
• Whole-trace refinement outperforms direct chain-ofthought on all 12 tasks.
• MolLean-MCP enables interactive feedback, improving reaction task performance.

Written only from the official arXiv abstract by an open-source model, then checked automatically (every number and name must appear in the abstract). The paper is authoritative.