IDLe, a multi-task training strategy with fidelity-specific prediction heads on a shared representation, matches high-fidelity NNP energy accuracy while using up to 50x less high-fidelity QM data.
Schoenholz, Patrick F
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Implicit Delta Learning of High Fidelity Neural Network Potentials
IDLe, a multi-task training strategy with fidelity-specific prediction heads on a shared representation, matches high-fidelity NNP energy accuracy while using up to 50x less high-fidelity QM data.