fig10

Figure 10. Absolute energy prediction errors of HER pathways under biaxial strain before and after fine-tuning. (A-C) Pretrained model errors for the Volmer, Heyrovsky, and Tafel steps, respectively; (D-F) Fine-tuned model errors for the Volmer, Heyrovsky, and Tafel steps, respectively. ML: Machine learning; MAE: mean absolute error; NEB: Nudged Elastic Band; DFT: density functional theory; HER: hydrogen evolution reaction.