78 citations · 162 across the 16 of their papers we have counts for
3 papers · 1 filter
Towards Conditional Generation of Minimal Action Potential Pathways for Molecular Dynamics
John Kevin Cava, John Vant, Nicholas Ho +4
In this paper, we utilized generative models, and reformulate it for problems in molecular dynamics (MD) simulation, by introducing an MD potential energy component to our generati…
Deeper-GXX: Deepening Arbitrary GNNs
Lecheng Zheng, Dongqi Fu, Ross Maciejewski +1
Recently, motivated by real applications, a major research direction in graph neural networks (GNNs) is to explore deeper structures. For instance, the graph connectivity is not al…
InfoFair: Information-Theoretic Intersectional Fairness
Jian Kang, Tiankai Xie, Xintao Wu +2
Algorithmic fairness is becoming increasingly important in data mining and machine learning. Among others, a foundational notation is group fairness. The vast majority of the exist…