Application of deep transfer learning to predicting crystal structures of inorganic substances
Computational Materials Science（2021）
摘要
•Convolutional neural network and transfer learning can be utilized to predict phase prototypes.•The model can discriminate 170 phase prototypes based on chemistry compositions.•Transfer learning improves accuracy and generalization of new models with small datasets.
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关键词
Convolutional neural network,Transfer learning,Small datasets,Crystal structures
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