Scatter Plot from Scientific Research

Schematic illustration of ML-enabled catalytic activity prediction. The key components include an extrapolative ML model and current density modeling, wherein the former is a GNN regression model trained on our established DFT data set. The resulting plot related to catalytic activity presents both gross (gray outlines) and net (color-filled bars) adsorption enthalpy distributions, along with the normalized current density (red dotted line).

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