AI RESEARCH
How Far Can You Grow? Characterizing the Extrapolation Frontier of Graph Generative Models for Materials Science
arXiv CS.LG
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ArXi:2602.09309v2 Announce Type: replace-cross Every generative model for crystalline materials harbors a critical structure size beyond which its outputs become unreliable; we call this the extrapolation frontier. Despite its consequences for nanomaterial design, this frontier has never been systematically measured. We