Fine-tuning ML interatomic potentials via a new LoRA-based Equitrain framework with minimal additional data improves phonon and thermal predictions over base and scratch-trained models in 53 systems.
An example for this is the transition pathway of K 3Sb in the Multihead Model, which was discussed in the main part in 3.5
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Parameter-Efficient Fine-Tuning of Machine-Learning Interatomic Potentials for Phonon and Thermal Properties
Fine-tuning ML interatomic potentials via a new LoRA-based Equitrain framework with minimal additional data improves phonon and thermal predictions over base and scratch-trained models in 53 systems.