papersSEP 10 04:00 UTC
uFlowCSP: Mean Flow Generative Models for Crystal Structure Prediction
Researchers introduce uFlowCSP, a generative approach to crystal structure prediction built on mean flow models. The method addresses a key drawback of diffusion- and flow-matching-based systems, which typically require many iterative sampling steps during inference. The paper situates the work next to existing generative CSP models such as CDVAE, DiffCSP, FlowMM, and CrystalFlow.