fig4
Figure 4. Interpretation of perovskite ML models. (A) GBRT model gives insight into the heat of formation and bandgap predictions. The result shows that Xx plays an important role in both the heat of formation and bandgap. Copyright from Springer Nature[33]. (B) Mean site energy when the element occupies site A (1) and site B (2) is calculated by the CGCNN model. Copyright from APS[46].