Hierarchical Embedded Sphere Model: An Interpretable ML‐Guided Multiscale Descriptor Engineering Decodes OER Activity on TM@MO 2 Catalysts

across doped/host sites, reconciles the well-known V-shaped activity trends with site-dependent deviations, and SHapley Additive exPlanation (SHAP) analysis identifies G-class as a critical feature that governs the model's prediction. This work demonstrates that HESM bridges adsorption energetics with multiscale geometric-electronic couplings, offering a generalizable methodology for descriptor discovery and catalyst design in complex systems.