A budget-dependent crossover between coverage- and response-based training-set selection for machine-learned interatomic potentials

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arXiv:2609.05877v1 Announce Type: new Abstract: Selecting compact training sets for machine-learned interatomic potentials requires deciding whether to preserve structural diversity or target configurations on which models disagree. The better choice can depend on how much data is retained, making…

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1. 2026-09-09 04:00 · arXiv cs.LG
   A budget-dependent crossover between coverage- and response-based training-set selection for machine-learned interatomic potentials