Fig. 3: Comparative performance metrics for crystallographic symmetry classification using DL Models.

This figure presents bar plots that compare the performance of coGN, FCN, PointNet, and Sparse 3D CNN models in three symmetry classification categories: crystal system (left), extinction group (middle), and space group (right). For each category and model, the broader bars represent top-1 hold-out test accuracy, while the overlaid lighter bars indicate the F1 score, a measure of test precision. a Displays hold-out test accuracy results obtained using the 120k_MP dataset. b Shows hold-out test accuracy outcomes from the 190k_ICSD dataset. Note: The results for the coGN model with the 190k_ICSD dataset are excluded due to compatibility issues between the model and the dataset.