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cs.LG2026
Multigrid Training for Molecular Generation using Graph Neural Networks
Zixuan Ling, Paula Mercurio, Di Liu
Deep learning has demonstrated significant success for modeling biochemical molecular systems, where inputs are commonly represented as graphs or 3D grids. A major challenge is tha…
cs.LG2023
Network Embedding Using Sparse Approximations of Random Walks
Paula Mercurio, Di Liu
In this paper, we propose an efficient numerical implementation of Network Embedding based on commute times, using sparse approximation of a diffusion process on the network obtain…