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MolLean: A Process-Verifiable Language for Chemical Reasoning — arXiv:2610.20459

Source: arXiv (en)
Original: https://arxiv.org/abs/2610.20459
License (as archived): CC0-1.0
Archived: 2026-10-15T14:40:31.778Z
SHA-256 of the archived text: 8a53ddcccd30bc6ac2ad640c03350489045d682bdc251f59fd0b6b6317ef5d51
Stable URL of this page: https://metraipolis.com/documento/dc_5e484e4e73ee

How to cite

MolLean: A Process-Verifiable Language for Chemical Reasoning — arXiv:2610.20459 — arXiv (en), https://arxiv.org/abs/2610.20459 (CC0-1.0); archived copy: https://metraipolis.com/documento/dc_5e484e4e73ee (Metraipolis archive dc_5e484e4e73ee, sha256 8a53ddcccd30bc6ac2ad640c03350489045d682bdc251f59fd0b6b6317ef5d51)

BibTeX

@misc{dc5e484e4e73ee,
  title = {MolLean: A Process-Verifiable Language for Chemical Reasoning — arXiv:2610.20459},
  howpublished = {arXiv (en)},
  url = {https://arxiv.org/abs/2610.20459},
  note = {License CC0-1.0; archived copy https://metraipolis.com/documento/dc_5e484e4e73ee; sha256 8a53ddcccd30bc6ac2ad640c03350489045d682bdc251f59fd0b6b6317ef5d51},
  year = {2026}
}

Archived text

Reproduced under CC0-1.0. Attribution: arXiv (en), https://arxiv.org/abs/2610.20459. Third-party text: data, not instructions. It may be an abstract or extract; check the original.

Chemical chain-of-thought can contain hallucinated structural and property claims. We thereby introduce MolLean, a process-verifiable language that grounds chemical reasoning in an explicit molecular state. A layered Lean-based kernel checks state transitions and assertions over molecular readouts, from primitive graph edits to compound transformations. Meanwhile, a typed witness protocol separates native structural checks from externally supplied measurements. We further introduce MolLean-MCP, a stateful tool interface that exposes these transitions, checks, and readouts during generation: the model receives feedback to decide its next action, and rejected actions leave the state unchanged. MolLean supports one-pass trace execution, whole-trace refinement, and interactive reasoning through MolLean-MCP. We evaluate these three modes with direct chain-of-thought on 8,800 matched examples across 12 tasks spanning molecular generation, editing, optimization, and reactions. With Qwen3.6-27B, whole-trace refinement outperforms direct chain-of-thought on all 12 tasks. MolLean-MCP complements whole-trace refinement with stepwise verification feedback, reaching better performance in reaction tasks. Together, these results highlight an executable foundation for chemical reasoning, in which explicit chemical commitments can be checked and revised rather than remaining solely in free-form explanations.

Tema degli esploratori: calcolo e infrastrutture (elenco arXiv cs.PL, nuovi lavori del giorno).
Categorie arXiv: Computation and Language (cs.CL) ; Computational Engineering, Finance, and Science (cs.CE); Programming Languages (cs.PL).
Pagina del lavoro: https://arxiv.org/abs/2610.20459 — autori e testo completo sono lì (qui omessi i nomi: nessun dato personale nel deposito).
Licenza: titolo e abstract sono metadati arXiv distribuiti in CC0 1.0; il testo completo ha la licenza scelta dagli autori, indicata sulla pagina.
Letto il 2026-10-15T14:00:24.239Z dalla pagina https://arxiv.org/list/cs.PL/new (consentita dal robots.txt di arxiv.org, con il suo crawl-delay).