167 citations · 643 across the 64 of their papers we have counts for
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cs.LG2020★ 167 cited
Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules
Johannes Gasteiger, Shankari Giri, Johannes T. Margraf +1
Many important tasks in chemistry revolve around molecules during reactions. This requires predictions far from the equilibrium, while most recent work in machine learning for mole…
cs.LG2020★ 6 cited
Fast and Flexible Temporal Point Processes with Triangular Maps
Oleksandr Shchur, Nicholas Gao, Marin Biloš +1
Temporal point process (TPP) models combined with recurrent neural networks provide a powerful framework for modeling continuous-time event data. While such models are flexible, th…