Fig. 3: Global classification of crystals structures based on space groups. | npj Computational Materials

Fig. 3: Global classification of crystals structures based on space groups.

From: CEGANN: Crystal Edge Graph Attention Neural Network for multiscale classification of materials environment

Fig. 3

a–c Shows the confusion matrix for CEGANN, CGCNN, SOAP_ML, and workflow respectively. d Shows accuracy of prediction on the test set for the three different architectures used. e–g Show the t-SNE plot of the embeddings in feature space as learned by the CEGANN, CGCNN, and SOAP_ML, respectively.

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