MiAD: Mirage Atom Diffusion for De Novo Crystal Generation 事件

MiAD: Mirage Atom Diffusion for De Novo Crystal Generation arXiv:2511.14426v2 Announce Type: replace-cross Abstract: In recent years, diffusion-based models have demonstrated exceptional performance in searching for simultaneously stable, unique, and novel (S.U.N.) crystalline materials. However, most of these models don't have the ability to change the number of atoms in the crystal during the generation process, which limits the variability of model sampling trajectories. In this paper, we de