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Updated: Jan 10, 2026

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材料发现的可解释的人工智能:用于HER和ORR的催化剂的应用

Valentin Vassilev-Galindo1, Javier LLorca1,2

  • 1IMDEA Materials Institute C/Eric Kandel 2 Getafe 28906 Madrid Spain valentin.vassilev@unavarra.es javier.llorca@imdea.org.

Chemical science
|November 20, 2025
PubMed
概括

本研究介绍了一种使用可解释的人工智能 (XAI) 和反事实解释的新材料设计策略. 这种方法不仅能识别出有前途的材料,还能揭示出驱动其性能的关键特征,从而在材料科学中推进人工智能.

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