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uFlowCSP: Crystal Structure Prediction using Mean flow generative models

Dey, Sourin et al.
arXiv (All) · Papers
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artificial-intelligencemachine-learningmaterials-science
Crystal structure prediction (CSP) is fundamental to computational materials discovery. Generative models including CDVAE, DiffCSP, FlowMM, and CrystalFlow learn stable-crystal distributions directly, but diffusion and flow-matching inference requires tens to thousands of sequential network evaluati
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