使用图形神经网络和符号回归来建模无序系统

Ruoxia Chen1, Mathieu Bauchy2, Wei Wang3

  • 1Physics of AmoRphous and Inorganic Solids Laboratory (PARISlab), Department of Civil and Environmental Engineering, University of California, Los Angeles, CA, 90095, USA. ruoxia@g.ucla.edu.

Scientific reports
|July 2, 2025
PubMed
概括

本研究引入了一种新的机器学习方法,用于在无序系统中精确的原子间潜在能计算. 这种方法通过克服先前知识和高计算成本的传统局限性来增强分子动力学模拟.

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