fig2

Figure 2. Million-scale generation and reference-calibrated local-environment compression. (A) Sequential validity filtering of the million-scale generated adsorption structures; (B) Elemental distribution of the generated *OCH₂CH₃ adsorption systems; (C) UMAP projection of UMA-extracted substrate embeddings for fine-tuning and generated structures; (D) Reference-calibrated thermodynamic adsorption-energy windows for *OCH₂CH₃, *CO, and *H. E: O-centered UMAP/high-hit structures. UMAP: Uniform Manifold Approximation and Projection; UMA: universal models for atom.