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Graph Diffusion that can Insert and Delete

arXiv — cs.LG•Monday, November 3, 2025 at 5:00:00 AM
PositiveArtificial Intelligence

Graph Diffusion that can Insert and Delete

A recent study introduces an innovative approach to graph generation using Denoising Diffusion Probabilistic Models (DDPMs), which can now adapt the size of graphs during the diffusion process. This advancement allows for more effective molecular generation by systematically removing structural noise and adjusting atoms and bonds. This is significant as it opens new avenues for research and applications in chemistry and materials science, enhancing our ability to design complex molecular structures.
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