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News/Active rejection enables reliable generalization of universal machine-learning interatomic potentials
arxiv
PublishedJuly 13, 2026 at 4:00 AM
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Active rejection enables reliable generalization of universal machine-learning interatomic potentials

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arXiv:2607.09456v1 Announce Type: new Abstract: Universal machine learning interatomic potentials (uMLIPs) bridge quantum-mechanical accuracy and large-scale molecular dynamics, but the cost of high-accuracy calculations such as r$^2$SCAN limits training to datasets that remain small relative to the

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