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cs.DC2026
JanusPipe: Efficient Pipeline Parallel Training for Machine Learning Interatomic Potentials
Hongyu Wang, Weijian Liu, Hongtao Xu +4
Discovering atom-level phenomena requires molecular dynamics (MD) simulations with ab initio accuracy. Machine learning interatomic potentials (MLIPs) enable stable, high-accuracy…
cs.DC2026
Breaking the Training Barrier of Billion-Parameter Universal Machine Learning Interatomic Potentials
Yuanchang Zhou, Hongyu Wang, Yiming Du +12
Universal Machine Learning Interatomic Potentials (uMLIPs), pre-trained on massively diverse datasets encompassing inorganic materials and organic molecules across the entire perio…