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Anti-Symmetric DGN: a stable architecture for Deep Graph Networks

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Deep Graph Networks (DGNs) currently dominate the research landscape of learning from graphs, due to their efficiency and ability to implement an adaptive message-passing scheme between the nodes. However, DGNs are typically limited in their ability to propagate and preserve long-term dependencies between nodes, i.e., they suffer from the over-squashing phenomena. This reduces their effectiveness, since predictive problems may require to capture interactions at different, and possibly large, radii in order to be effectively solved. In this work, we present Anti-Symmetric Deep Graph Networks (A-DGNs), a framework for stable and non-dissipative DGN design, conceived through the lens of ordinary differential equations. We give theoretical proof that our method is stable and non-dissipative, leading to two key results: long-range information between nodes is preserved, and no gradient vanishing or explosion occurs in training. We empirically validate the proposed approach on several graph benchmarks, showing that A-DGN yields to improved performance and enables to learn effectively even when dozens of layers are used.

Alessio Gravina, Davide Bacciu, Claudio Gallicchio• 2022

Related benchmarks

TaskDatasetResultRank
Graph RegressionPeptides struct LRGB (test)
MAE0.2874
238
Graph ClassificationPeptides-func LRGB (test)
AP0.5975
196
Graph RegressionPeptides-struct
MAE0.2874
134
Graph ClassificationPeptides func
AP59.75
110
Multi-label Graph ClassificationPeptides func
Average Precision59.75
52
Diameter predictionGraph Property Prediction (test)
log10(MSE)0.2271
24
SSSP PredictionGraph Property Prediction (test)
log10(MSE)-1.8288
24
Eccentricity PredictionGraph Property Prediction (test)
log10(MSE)0.7177
24
Diameter predictionECHO-Synth
MAE1.151
23
Single-Source Shortest Path PredictionECHO-Synth
MAE1.176
23
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