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12/07/2022
Transfer learning for chemically accurate interatomic neural network potentials
Developing machine learning-based interatomic potentials from ab-initio ...
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03/17/2022
A Framework and Benchmark for Deep Batch Active Learning for Regression
We study the performance of different pool-based Batch Mode Deep Active ...
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09/20/2021
Fast and Sample-Efficient Interatomic Neural Network Potentials for Molecules and Materials Based on Gaussian Moments
Artificial neural networks (NNs) are one of the most frequently used mac...
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09/15/2021