ICLR 2023

VQGraph: Rethinking Graph Representation Space for Bridging GNNs and MLPs

Ling Yang, Ye Tian, Minkai Xu, Zhongyi Liu, Shenda Hong, Wei Qu, Wentao Zhang, Bin Cui, Muhan Zhang, J. Leskovec

Main figure for VQGraph: Rethinking Graph Representation Space for Bridging GNNs and MLPs

Abstract

GNN-to-MLP distillation aims to utilize knowledge distillation (KD) to learn computationally-efficient multi-layer perceptron (student MLP) on graph data by mimicking the output representations of teacher GNN. Existing methods mainly make the MLP to mimic the GNN predictions over a few class labels. However, the class space may not be expressive enough for covering numerous diverse local graph structures, thus limiting the performance of knowledge transfer from GNN to MLP. To address this issue, we propose to learn a new powerful graph representation space by directly labeling nodes' diverse local structures for GNN-to-MLP distillation. Specifically, we propose a variant of VQ-VAE to learn a structure-aware tokenizer on graph data that can encode each node's local substructure as a discrete code. The discrete codes constitute a codebook as a new graph representation space that is able to identify different local graph structures of nodes with the corresponding code indices. Then, based on the learned codebook, we propose a new distillation target, namely soft code assignments, to directly transfer the structural knowledge of each node from GNN to MLP. The resulting framework VQGraph achieves new state-of-the-art performance on GNN-to-MLP distillation in both transductive and inductive settings across seven graph datasets. We show that VQGraph with better performance infers faster than GNNs by 828×, and also achieves accuracy improvement over GNNs and stand-alone MLPs by 3.90\

Proposed method: VQGraph

Benchmark Results

Tested on 5 datasets 4 baseline values reported too low

Tables show presented results in global context (best 3 papers + GCN + MLP).

Classic

#ModelAccuracy ↑Paper
1
GraphSAGE+CNA
0.9418 ±0.0033
2
GCN+CNA
0.9366 ±0.0048
3
TransformerConv
0.9350 ±0.0058
21
GCN
0.9004
184
VQGraph
actual #184 vs paper #307 123 places worse
0.8611 ±0.0126
best reported
actual #184 vs paper #307 123 places worse
paper 0.8393 ±0.0087
paper 0.8393 ±0.0087 Δ today 0.0218
348
GLNN
actual #348 vs paper #647 299 places worse
0.8360 ±0.0022
best reported
actual #348 vs paper #647 299 places worse
paper 0.8026 ±0.0166
paper 0.8026 ±0.0166 Δ at pub 0.0334
424
NOSMOG
0.8304 ±0.0126
This paper
471
Only-VQ
0.8248 ±0.0046
This paper
599
AE+Class-based
0.8111 ±0.0101
This paper
628
GNN
0.8064 ±0.0157
This paper
648
Class-based
0.8026 ±0.0166
This paper
724
MLP
0.7768

Heterophilic Graphs

#ModelAccuracy ↑Paper
1
P^2GNN
0.9672 ±0.0147
2
DoG
0.9660 ±0.0210
3
GPF-plus
0.9583 ±0.0419
34
MLP
actual #34 vs paper #308 274 places worse
0.9230 ±0.0070
best reported
actual #34 vs paper #308 274 places worse
paper 0.7568
53
GraphSAGE
0.9000 ±0.0365
70
GCNII
actual #70 vs paper #294 224 places worse
0.8918 ±0.0443
best reported
actual #70 vs paper #294 224 places worse
paper 0.7673
paper 0.7673 Δ at pub 0.0373 Δ today 0.1245
103
ACMGCN with our Graph VQ-VAE
0.8703
This paper
108
ACMGCN
0.8649
This paper
261
GCNII with our Graph VQ-VAE
0.7904
This paper
275
MLP with our Graph VQ-VAE
0.7793
This paper
#ModelAccuracy ↑Paper
1
P^2GNN
0.9541 ±0.0272
2
ACM-GCN
0.9480 ±0.0380
3
RF-GCN
0.9429
24
MLP
actual #24 vs paper #221 197 places worse
0.9136 ±0.0070
best reported
actual #24 vs paper #221 197 places worse
paper 0.7638
paper 0.7638 Δ at pub 0.1498
35
GCNII
actual #35 vs paper #218 183 places worse
0.8918 ±0.0396
best reported
actual #35 vs paper #218 183 places worse
paper 0.7649
paper 0.7649 Δ at pub 0.0777 Δ today 0.1269
102
ACMGCN with our Graph VQ-VAE
0.8459
This paper
114
ACMGCN
0.8405
This paper
138
SAGE
0.8269
196
MLP with our Graph VQ-VAE
0.7829
This paper
197
GCNII with our Graph VQ-VAE
0.7829
This paper
SOTA performance (not significantly different from the best) Baseline / comparison (this paper) Global context (other papers) Best at pub — reported result worse than the best known when published (best reported in green) Best today — OK at publication; today's leaderboard best is elsewhere