fig6

Figure 6. (A and B) Violin plots illustrating the adsorption energies of MgCO₃ across various environments; (C and D) Graphic representation of feature importance utilizing MDI from GBR model and permutation importance technique from ANN model. Copyright 2024, Royal Society of Chemistry, Reproduced with permission^[95]; (E) Representation of predictions generated by a training model using a 3D matrix composed of the three most influential descriptors, with four distinct regions classified by k values, highlighting a matrix of calcination and pyrolysis temperatures and enlarging the area with high k values; (F) Violin plot of SHAP values for the XGBR model (left) and summary plot of SHAP analysis (right). Copyright 2023, American Chemical Society, Reproduced with permission^[41]; (G) Illustrating the cruciality of six features through gain value and SHAP value; (H) SHAP summary plot for ML models; (I and J) Violin plots of SHAP values for N_V and SHAP dependence for N_n, with blue indicating eligible catalysts and red indicating ineligible ones. Copyright 2023, John Wiley and Sons, Reproduced with permission^[100]. MDI: Mean decrease in impurity; GBR: gradient boosting regression; ANN: artificial neural network; SHAP: Shapley Additive Explanations; XGBR: extreme gradient boosting regression; ML: machine learning.