fig3
Figure 3. Ranking of prediction accuracies of (A) dopant occupancy and (B) L12 phase stability by different models. The GBC model has the highest accuracy (up to 88.52% and 93.44%, respectively). Prediction results of (C) occupied sites and (D) L12 phase stability from the model based on the GBC algorithm on the training set. Three features (main features #1, #2 and #3) are selected out of 25 using PCA for visualization (accuracy is 88.52%).
