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Paper · arXiv

Logos: An evolvable reasoning engine for rational molecular design

The discovery and design of functional molecules remain central challenges across chemistry,biology, and materials science. While recent advances in machine learning have accelerated molecular property prediction and candidate generation, existing models tend to excel either in physical fidelity without transparent reasoning, or in flexible reasoning without guarantees of chemical validity. This imbalance limits the reliability of artificial intelligence systems in real scientific design workflows.Here we present Logos, a compact molecular reasoning model that integrates multi-step logical reasoning with strict chemical consistency. Logos is trained using a staged strategy that first expo...

AuthorsHaibin Wen, Zhe Zhao, Fanfu Wang et al.
Primary categorycs.AI
Published10 March 2026
Last updated at source10 March 2026
cs.AI
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