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cs.LG2023★ 13 cited
Beyond MD17: the reactive xxMD dataset
Zihan Pengmei, Junyu Liu, Yinan Shu
System specific neural force fields (NFFs) have gained popularity in computational chemistry. One of the most popular datasets as a bencharmk to develop NFFs models is the MD17 dat…
cs.LG2023
Catapult Dynamics and Phase Transitions in Quadratic Nets
David Meltzer, Min Chen, Junyu Liu
Neural networks trained with gradient descent can undergo non-trivial phase transitions as a function of the learning rate. In \cite{lewkowycz2020large} it was discovered that wide…