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cs.LG2026
Variational Bayesian Flow Network for Graph Generation
Yida Xiong, Jiameng Chen, Xiuwen Gong +3
Graph generation aims to sample discrete node and edge attributes while satisfying coupled structural constraints. Diffusion models for graphs often adopt largely factorized forwar…
q-bio.BM2026
PCEvo: Path-Consistent Molecular Representation via Virtual Evolutionary
Kun Li, Longtao Hu, Yida Xiong +6
Molecular representation learning aims to learn vector embeddings that capture molecular structure and geometry, thereby enabling property prediction and downstream scientific appl…