NeurIPS 2021

VQ-GNN: A Universal Framework to Scale-up Graph Neural Networks using Vector Quantization

Mucong Ding, Kezhi Kong [1], Jingling Li, Chen Zhu, John Dickerson, Furong Huang, Tom Goldstein

Main figure for 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.

Proposed method: VQ-GNN

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

#ModelF1 ↑Paper
1
GAMLP(JK)
0.9982 ±0.0001
2
GraphCON-GCN
0.9960
3
GCNII
0.9953 ±0.0001
9
Cluster-GCN
actual #9 vs paper #88 79 places worse
0.9940
best reported
actual #9 vs paper #88 79 places worse
paper 0.9051 ±0.0077
best today: Graph-Coupled Oscillator Networks (ICML 2022)
paper 0.9051 ±0.0077 Δ at pub 0.0885 Δ today 0.0889
21
GCN
0.9850
31
GraphSAINT-RW
actual #31 vs paper #73 42 places worse
0.9810 ±0.0040
best reported
actual #31 vs paper #73 42 places worse
paper 0.9612 ±0.0042
paper 0.9612 ±0.0042 Δ at pub 0.0198 Δ today 0.0198
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

#ModelHits@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
SOTA performance (not significantly different from the best) Proposed method (this paper) Baseline / comparison (this paper) Global context (other papers) Best at pub — reported result worse than the best known when published (best reported in green)