AI RESEARCH
Crys-JEPA: Accelerating Crystal Discovery via Embedding Screening and Generative Refinement
arXiv CS.LG
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ArXi:2605.14759v1 Announce Type: new De novo crystal generation seeks to discover materials that are not merely realistic, but also stable and novel. However, most existing generative models are trained to maximize the likelihood of observed crystals, which encourages samples to stay close to known materials yet not necessarily align with the criteria that matter in discovery.