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cs.LG2026
Equivariant Evidential Deep Learning for Interatomic Potentials
Zhongyao Wang, Taoyong Cui, Jiawen Zou +5
Uncertainty quantification (UQ) is critical for assessing the reliability of machine learning interatomic potentials (MLIPs) in molecular dynamics (MD) simulations, identifying ext…
cs.LG2024
Policy Learning for Balancing Short-Term and Long-Term Rewards
Peng Wu, Ziyu Shen, Feng Xie +3
Empirical researchers and decision-makers spanning various domains frequently seek profound insights into the long-term impacts of interventions. While the significance of long-ter…