arXiv 2610.06577 · physics.chem-ph · 2026-10-05
Optimizing the Optimizer: Language Models Discover Faster Molecular Relaxation Algorithms
Artem Tsypin, Vladimir Deshchenya, Kuzma Khrabrov, Denis Potapov, Maxim Radchenko, Artur Kadurin, Michael G. Medvedev
机构待核实
在最新榜 #299 本站收录于 2026-10-21
一句话要点
让语言模型 Agent 改写分子几何优化器，找到比现有最快开源方法更省力的算法。
Has an LLM agent rewrite molecular geometry optimisers, discovering algorithms needing fewer force calls than the fastest open baseline.
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数据说明
元数据来自 arXiv API（已核实）；点赞来自 Hugging Face 每日论文；引用来自 Semantic Scholar。最近刷新 2026-10-22。
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