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11/08/2021
Directional Message Passing on Molecular Graphs via Synthetic Coordinates
Graph neural networks that leverage coordinates via directional message ...
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07/14/2021
Scalable Optimal Transport in High Dimensions for Graph Distances, Embedding Alignment, and More
The current best practice for computing optimal transport (OT) is via en...
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11/28/2020
Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules
Many important tasks in chemistry revolve around molecules during reacti...
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08/29/2020
Efficient Robustness Certificates for Discrete Data: Sparsity-Aware Randomized Smoothing for Graphs, Images and More
Existing techniques for certifying the robustness of models for discrete...
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07/03/2020
Scaling Graph Neural Networks with Approximate PageRank
Graph neural networks (GNNs) have emerged as a powerful approach for sol...
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03/06/2020
Directional Message Passing for Molecular Graphs
Graph neural networks have recently achieved great successes in predicti...
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10/28/2019
Diffusion Improves Graph Learning
Graph convolution is the core of most Graph Neural Networks (GNNs) and u...
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10/14/2018