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PRISMat: Policy-Driven, Permutation-Invariant Autoregressive Material Generation
arXiv:2605.16612v1 Announce Type: new Abstract: Rapid identification of candidate materials with target properties has become a key task in materials science. Machine learning has emerged as an alternative to physics-based simulation, offering a faster and cheaper way to filter materials based on their stability and other target properties, reducing the number of candidates that reach the costly synthesis stage. Recently, Large Language Models (LLMs) have been applied to this role, but these mod