Transfer learning for atomistic simulations using GNNs and kernel mean embeddings

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Authors: Falk, JI; Bonati, L; Novelli, P; Parrinello, M; Pontil, M

Journal title: In: Oh, Alice and Naumann, Tristan and Globerson, Amir and Saenko, Kate and Hardt, Moritz and Levine, Sergey, (eds.) Advances in Neural Information Processing Systems. (2023)

Journal publisher: NeurIPS

Published year: 2023

DOI identifier: 10.48550/arxiv.2306.01589