Active set algorithms enable automated data-driven sparse basis selection in ACE MLIPs, producing models with improved efficiency, generalization accuracy, and interpretability on benchmark datasets.
Activesetpursuit.jl: A julia implementation of active set pursuit algorithms for sparse optimiza- tion
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Scalable Data-Driven Basis Selection for Linear Machine Learning Interatomic Potentials
Active set algorithms enable automated data-driven sparse basis selection in ACE MLIPs, producing models with improved efficiency, generalization accuracy, and interpretability on benchmark datasets.