AdaptNTK: Adaptive Uncertainty Quantification and Active Learning for Neural Network Potentials
cs.LG, physics.chem-ph
Submitted: 2026-08-31
Updated: 2026-08-31
Terminology
Sources
- Flexible Uncertainty Calibration for Machine-Learned Interatomic Potentials
- Pretrained Model Representations as Acquisition Signals for Active Learning of MLIPs
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