fig5

Figure 5. Interpretable machine learning for catalytic activity calculations. (A) Framework of the ensemble approach for the SISSO model. Reproduced from reference^[73] under CC BY 4.0 License; (B) Local SHAP analysis of OH adsorption on Pt monolayer core-shell catalysts, revealing the contributions of key electronic factors to variations in adsorption strength. Adapted from reference^[83] under the terms of the Creative Commons Attribution License; (C) Thermodynamic overpotential as a function of the adsorbed oxygen 2p-band center and Bader charge. Adapted from reference^[84] under CC BY 4.0 License; (D) Fitted R₀ values for predicting oxygen Bader charge vs. those for predicting the oxygen 2p-band center as a function of neighboring metal species. Adapted from reference^[84] under CC BY 4.0 License. SISSO: Sure independence screening and sparsifying operator; SHAP: Shapley additive explanations.