VQ-GNN: A Universal Framework to Scale-up Graph Neural Networks using Vector Quantization
Abstract
Most state-of-the-art Graph Neural Networks (GNNs) can be defined as a form of graph convolution which can be realized by message passing between direct neighbors or beyond. To scale such GNNs to large graphs, various neighbor-, layer-, or subgraph-sampling techniques are proposed to alleviate the ``neighbor explosion'' problem by considering only a small subset of messages passed to the nodes in a mini-batch. However, sampling-based methods are difficult to apply to GNNs that utilize many-hops-away or global context each layer, show unstable performance for different tasks and datasets, and do not speed up model inference. We propose a principled and fundamentally different approach, VQ-GNN, a universal framework to scale up any convolution-based GNNs using Vector Quantization (VQ) without compromising the performance. In contrast to sampling-based techniques, our approach can effectively preserve all the messages passed to a mini-batch of nodes by learning and updating a small number of quantized reference vectors of global node representations, using VQ within each GNN layer. Our framework avoids the ``neighbor explosion'' problem of GNNs using quantized representations combined with a low-rank version of the graph convolution matrix. We show that such a compact low-rank version of the gigantic convolution matrix is sufficient both theoretically and experimentally. In company with VQ, we design a novel approximated message passing algorithm and a nontrivial back-propagation rule for our framework. Experiments on various types of GNN backbones demonstrate the scalability and competitive performance of our framework on large-graph node classification and link prediction benchmarks.
Benchmark Results
Tested on 2 datasets 2 baseline values reported too low
Tables show presented results in global context (best 3 papers + GCN + MLP).
Classic
| # | Model | F1 ↑ | Paper |
|---|---|---|---|
| 1 | GAMLP(JK) | 0.9982
±0.0001 | |
| 2 | GraphCON-GCN | 0.9960 | |
| 3 | GCNII | 0.9953
±0.0001 | |
| 9 | Cluster-GCN | 0.9940 best reported | best at pub: A Comprehensive Survey on Graph Neural Networks (2019) best today: Graph-Coupled Oscillator Networks (ICML 2022) |
| 21 | GCN | 0.9850 | |
| 31 | GraphSAINT-RW | 0.9810
±0.0040 best reported | best at pub: GraphSAINT: Graph Sampling Based Inductive Learning Method (ICLR 2019) |
| 56 | VQ-GNN | 0.9737
±0.0033 | This paper |
| 62 | Full-Graph | 0.9722
±0.0035 | This paper |
| 84 | NS-SAGE | 0.9407
±0.0025 | This paper |
| 173 | MLP | 0.4620 |
OGB
| # | Model | Hits@50 ↑ | Paper |
|---|---|---|---|
| 1 | PROXI | 0.7650
±0.0027 | |
| 2 | OGB Leader | 0.7129
±0.0018 | |
| 3 | GIDN | 0.7096
±0.0055 | |
| 9 | GCN | 0.6621
±0.0033 | |
| 82 | Full-Graph | 0.4810
±0.0081 | This paper |
| 83 | NS-SAGE | 0.4776
±0.0041 | This paper |
| 86 | VQ-GNN | 0.4673
±0.0164 | This paper |
| 94 | MLP | 0.4438
±0.0347 | |
| 96 | GraphSAINT-RW | 0.4368
±0.0169 | This paper |
| 100 | Cluster-GCN | 0.4068
±0.0096 | This paper |
