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arXiv cs.LG · Papers

MotifRole-Diff: Risk-Optimal Role-Aware Corruption for Masked Molecular Graph Diffusion

arXiv:2607.21634v1 Announce Type: new Abstract: Masked discrete diffusion for molecular graph generation typically applies a uniform corruption schedule to all tokens in a lossless graph-to-sequence representation, implicitly treating structurally heterogeneous molecular components as equally difficult and equally impo