Sun, Hong
Vita, Joshua A https://orcid.org/0000-0001-9191-055X
Samanta, Amit
Lordi, Vincenzo https://orcid.org/0000-0003-2415-4656
Funding for this research was provided by:
Laboratory Directed Research and Development (LDRD) Program at LLNL (23-SI-006)
Lawrence Livermore National Laboratory (DE-AC52-07NA27344)
Article Title: Unsupervised atomic data mining via multi-kernel graph autoencoders for machine learning force fields
Journal Title: Machine Learning: Science and Technology
Article Type: paper
Copyright Information: © 2026 The Author(s). Published by IOP Publishing Ltd
Publication dates
Date Received: 2025-09-15
Date Accepted: 2026-01-16
Online publication date: 2026-02-13