fig3

Figure 3. Cluster-guided expansion of high-hit local environments. (A) Candidate hit rate as a function of neighbor rank relative to positive seed structures within local UMA embedding clusters; (B) Workflow from neighborhood expansion to deduplicated positives; (C) Quantitative hit-rate comparison between the representative-sampling baseline and cluster-guided expansion; (D) Representative positive structures showing diverse local adsorption environments and multicomponent surface motifs. UMA: Universal models for atom.