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Updated: May 23, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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使用GCN通过统一的模拟化对分子中的原子进行分类的启发式优化

Agnieszka Polowczyk1, Alicja Polowczyk1, Marcin Woźniak2

  • 1Faculty of Applied Mathematics, Silesian University of Technology, Gliwice, 44-100, Poland.

Scientific reports
|May 20, 2025
PubMed
概括

本研究介绍了用于图形卷积网络 (GCNs) 的新型模拟化优化,提高了训练效率和准确性. 混合方法提高了不平衡和平衡数据集的性能,优于现有方法.

关键词:
图表 卷积网络 卷积网络超启发式优化优化方法节点的分类 节点的分类模拟的回火模拟均的分布 均的分布

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