fig5

Figure 5. Reverse design prediction performance: (A) overall prediction heat map; (B-I) different models: LR, DT, RF, GB, KNN, XGB, MLP, LGBM, respectively. LR: Linear regression; DT: decision tree; RF: random forest; GB: gradient boosting; KNN: K-nearest neighbor; XGB: XGBoost; MLP: multi-layer perceptron; LGBM: light gradient boosting machine.