MAG-GNN: Reinforcement Learning Boosted Graph Neural Network
Abstract
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.
Benchmark Results
Tested on 3 datasets 2 baseline values reported too low
Tables show presented results in global context (best 3 papers + GCN + MLP).
Classic
ZINC
Global leaderboard →Default metric is MAE. The paper reports 2 values on MAE and 6 values on RMSE .
| # | Model | MAE ↓ default | RMSE ↓ | Paper |
|---|---|---|---|---|
| 1 | TIGT | 0.0140
±
0.0010 | — | |
| 2 | FloydNet | 0.0160 | — | |
| 3 | GSSC | 0.0190
±
0.0010 | — | |
| 7 | CIN | —
| 0.0220
±
0.0020 | RMSE
0.0220
±
0.0020 |
| 10 | SSWL+ | —
| 0.0220
±
0.0020 | RMSE
0.0220
±
0.0020 |
| 15 | I^2GNN | —
| 0.0230
±
0.0010 | RMSE
0.0230
±
0.0010 |
| 31 | NGNN | —
| 0.0290
±
0.0010 | RMSE
0.0290
±
0.0010 |
| 37 | MAG-GNN | 0.0300
±0.0020 best reported | — | RMSE
— best today: A Flexible, Equivariant Framework for Subgraph GNNs via Graph Products and Graph Coarsening (NeurIPS 2024) |
| 61 | RNM | —
| 0.0620
±
0.0040 | RMSE
0.0620
±
0.0040 |
| 69 | GIN | —
| 0.0880
±
0.0020 | RMSE
0.0880
±
0.0020 |
| 73 | MAG-GNN-PRE | 0.0960
±
0.0090 | — | RMSE
— |
| 79 | GCN | 0.1130
±
0.0020 | — |
OGB
| # | Model | ROC-AUC ↑ | Paper |
|---|---|---|---|
| 1 | Multi-RF Fusion with Multi-GNN Blending | 0.8476
±0.0002 | |
| 2 | HyperFusion | 0.8475
±0.0003 | |
| 3 | PAS+FPs | 0.8420
±0.0015 | |
| 8 | CIN | 0.8094
±0.0057 | This paper |
| 9 | GatedGCN | 0.8090
±0.0160 | |
| 18 | GSN | 0.8039
±0.0090 best reported | best at pub: Boosting the Cycle Counting Power of Graph Neural Networks with I$^2$-GNNs (ICLR 2022) best today: GRANOLA: Adaptive Normalization for Graph Neural Networks (NeurIPS 2024) |
| 25 | PF-GNN | 0.8015
±0.0068 | This paper |
| 30 | SUN | 0.8003
±0.0055 | This paper |
| 39 | GNNAK+ | 0.7961
±0.0119 | This paper |
| 42 | SSWL+ | 0.7958
±0.0035 | This paper |
| 62 | PNA | 0.7905
±0.0132 | This paper |
| 76 | I^2GNN | 0.7868
±0.0093 | This paper |
| 86 | NGNN | 0.7834
±0.0186 | This paper |
| 90 | MAG-GNN-PRE | 0.7830
±0.0108 | This paper |
| 109 | GIN | 0.7780
±0.0182 best reported | best at pub: GRPE: Relative Positional Encoding for Graph Transformer (2022) Difference within reported uncertainty; not counted as underperformance. |
| 144 | MAG-GNN | 0.7712
±0.0113 | This paper |
| 160 | GraphSAGE | 0.7690
±0.0136 | |
| 165 | RNM | 0.7679
±0.0094 | This paper |
GNNBenchmark
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 14 | MAG-GNN | 1.0000 | This paper |
| 9 | NGNN | 1.0000 | This paper |
| 10 | GNNAK+ | 1.0000 | This paper |
| 11 | SSWL+ | 1.0000 | This paper |
| 12 | RNM | 1.0000 | This paper |
| 13 | I^2GNN | 1.0000 | This paper |
| 1 | PPGN | 1.0000 | |
| 2 | RW-AgentNet | 1.0000 | |
| 3 | AgentNet | 1.0000 | |
| 8 | GCN | 1.0000 | |
| 40 | GIN | 0.9933
±0.0133 best reported | best at pub: GNNBenchmark (JMLR 2023) |
| 72 | RNI | 0.1600 | This paper |
