Comparison of calculated HSE values with predicted fundamental band gaps and band alignments by LR, RFR, and SVR models, where both relevant PBE results and selected signatures of constituent elements are used as predictors (predictors set-III). These models are evaluated with 10-fold cross-validation and only the predicted results of the validation sets are shown. Each column of the subfigures represents one predictive model and each row shows one selected electronic property. The dashed lines are guide to the eyes, representing that the predicted values are equal to the computed HSE data.