fig10
Figure 10. Comparison of DFT calculated versus ML predicted ΔGH using (A)KRR; (B) RF regression; (C) NN regression; and (D) SISSO regression[131]. Copyright 2020 American Chemical Society. DFT: Density functional theory; KRR: kernel ridge regression; NN: neural network; ML: machine learning; RF: random forest; SISSO: sure independence screening and sparsifying operator.
