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MAG-GNN: Reinforcement Learning Boosted Graph Neural Network

About

While Graph Neural Networks (GNNs) recently became powerful tools in graph learning tasks, considerable efforts have been spent on improving GNNs' structural encoding ability. A particular line of work proposed subgraph GNNs that use subgraph information to improve GNNs' expressivity and achieved great success. However, such effectivity sacrifices the efficiency of GNNs by enumerating all possible subgraphs. In this paper, we analyze the necessity of complete subgraph enumeration and show that a model can achieve a comparable level of expressivity by considering a small subset of the subgraphs. We then formulate the identification of the optimal subset as a combinatorial optimization problem and propose Magnetic Graph Neural Network (MAG-GNN), a reinforcement learning (RL) boosted GNN, to solve the problem. Starting with a candidate subgraph set, MAG-GNN employs an RL agent to iteratively update the subgraphs to locate the most expressive set for prediction. This reduces the exponential complexity of subgraph enumeration to the constant complexity of a subgraph search algorithm while keeping good expressivity. We conduct extensive experiments on many datasets, showing that MAG-GNN achieves competitive performance to state-of-the-art methods and even outperforms many subgraph GNNs. We also demonstrate that MAG-GNN effectively reduces the running time of subgraph GNNs.

Lecheng Kong, Jiarui Feng, Hao Liu, Dacheng Tao, Yixin Chen, Muhan Zhang• 2023

Related benchmarks

TaskDatasetResultRank
Graph property predictionOGBG-MOLHIV (test)
ROC-AUC78.3
61
Graph ClassificationCSL (test)
Mean Accuracy100
45
Graph ClassificationEXP (test)
Accuracy100
33
Graph RegressionZINC-FULL (250k graphs) v1 (test)
MAE0.023
16
Graph property predictionZINC v1 (test)
MAE0.096
15
Graph RegressionQM9 (test)
mu0.353
10
Graph ClassificationSR25 (test)
Accuracy100
8
Cycle CountingCYCLE synthetic (test)
3-Cycles Proportion0.0029
7
Graph Expressivity EvaluationBREC Regular
Number61
5
Graph Expressivity EvaluationBREC Basic
Count49
5
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