Robustness of local predictions in atomistic machine learning models
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Machine learning (ML) models for molecules and materials commonly rely on a decomposition of the global target quantity into local, atom-centered contributions. This approach is...
面向分子与材料的机器学习（Machine Learning，ML）模型通常将全局目标量分解为局域的、以原子为中心的贡献项。此类方法……
