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Reinforcement learning steers generative crystal design
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关键摘要
Nature Machine Intelligence, Published online: 03 August 2026; doi:10.…
- 1038/s42256-026-01282-0Generative machine learning methods have led to…
- A reinforcement learning-based method steers candidate generation to t…
摘要引擎：抽取
正文提要
Nature Machine Intelligence, Published online: 03 August 2026; doi:10.1038/s42256-026-01282-0
Generative machine learning methods have led to progress in crystal discovery, but cannot fully explore the space of material candidates that are both novel and useful. A reinforcement learning-based method steers candidate generation to these areas, enabling the design of novel functional materials.