Webb10 apr. 2024 · Li, B. DeCost, K. Choudhary, M. Greenwood, and J. Hattrick-Simpers, “ A critical examination of robustness and generalizability of machine learning prediction of materials properties,” arXiv:2210.13597 (2024). ML models trained on a biased dataset lack generalizability to underrepresented test samples. ET-AL ... Webb7 apr. 2024 · April 7, 2024 Author (s) Kangming LI, Brian DeCost, Kamal Choudhary, Michael Greenwood, Jason Hattrick-Simpers Abstract Recent advances in machine learning (ML) have led to substantial performance improvement in material database benchmarks, but an excellent benchmark score may not imply good generalization performance.
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