AI RESEARCH
Composable Crystals: Controllable Materials Discovery via Concept Learning
arXiv CS.LG
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ArXi:2605.14769v1 Announce Type: new De novo crystal generation, a central task in materials discovery, aims to generate crystals that are simultaneously valid, stable, unique, and novel. Existing methods mainly rely on black-box stochastic sampling, providing limited control over how generated structures move beyond the observed distribution. In this paper, we