Paul Duckworth
2 papers · Latest:
Machine Learning
Force-Aware Neural Tangent Kernels for Scalable and Robust Active Learning of MLIPs
This paper introduces force-aware Neural Tangent Kernels and a scalable acquisition framework for robust active learning of MLIPs.
2605.13788
Machine LearningPretrained Model Representations as Acquisition Signals for Active Learning of MLIPs
This paper shows that pretrained MLIPs' latent spaces provide effective acquisition signals for active learning, significantly reducing data needs for reactive chemistry.
2605.03964
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