Multi-grained Semantics-aware Graph Neural Networks

Zhiqiang Zhong, Cheng-Te Li, Jun Pang

Main figure for Multi-grained Semantics-aware Graph Neural Networks

Abstract

Graph Neural Networks (GNNs) are powerful techniques in representation learning for graphs and have been increasingly deployed in a multitude of different applications that involve node- and graph-wise tasks. Most existing studies solve either the node-wise task or the graph-wise task independently while they are inherently correlated. This work proposes a unified model, AdamGNN, to interactively learn node and graph representations in a mutual-optimisation manner. Compared with existing GNN models and graph pooling methods, AdamGNN enhances the node representation with the learned multi-grained semantics and avoids losing node features and graph structure information during pooling. Specifically, a differentiable pooling operator is proposed to adaptively generate a multi-grained structure that involves meso- and macro-level semantic information in the graph. We also devise the unpooling operator and the flyback aggregator in AdamGNN to better leverage the multi-grained semantics to enhance node representations. The updated node representations can further adjust the graph representation in the next iteration. Experiments on $14$ real-world graph datasets show that AdamGNN can significantly outperform $17$ competing models on both node- and graph-wise tasks. The ablation studies confirm the effectiveness of AdamGNN's components, and the last empirical analysis further reveals the ingenious ability of AdamGNN in capturing long-range interactions.

Proposed method: AdamGNN

Benchmark Results

Tested on 4 datasets 5 baseline values reported too low

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

TU Dortmund

#ModelAccuracy ↑Paper
1
MSH-GNN
0.9910 ±0.0030
2
ID-GNN+BEC
0.9830 ±0.0360
3
SupCosine
0.9830 ±0.0250
39
GIN
actual #39 vs paper #711 672 places worse
0.9330 ±0.0290
best reported
actual #39 vs paper #711 672 places worse
paper 0.7511 ±0.0264
best at pub: Provably Powerful Graph Networks (NeurIPS 2019)
paper 0.7511 ±0.0264 Δ at pub 0.1429 Δ today 0.1819
63
GCN
0.9220 ±0.0440
190
SortPool
actual #190 vs paper #754 564 places worse
0.9000 ±0.0224
best reported
actual #190 vs paper #754 564 places worse
paper 0.7147 ±0.0231
239
DiffPool
actual #239 vs paper #734 495 places worse
0.8940 ±0.0460
best reported
actual #239 vs paper #734 495 places worse
paper 0.7361 ±0.0394
paper 0.7361 ±0.0394 Δ at pub 0.1139 Δ today 0.1579
367
ASAP
actual #367 vs paper #611 244 places worse
0.8740 ±0.0570
best reported
actual #367 vs paper #611 244 places worse
paper 0.8017 ±0.0177
paper 0.8017 ±0.0177 Δ today 0.0723
403
MLP
0.8660 ±0.0495
419
GXN
actual #419 vs paper #725 306 places worse
0.8610 ±0.0830
best reported
actual #419 vs paper #725 306 places worse
paper 0.7410 ±0.0436

Difference within reported uncertainty; not counted as underperformance.

paper 0.7410 ±0.0436 Δ today 0.1200
483
3WL-GNN
actual #483 vs paper #655 172 places worse
0.8406 ±0.0662
best reported
actual #483 vs paper #655 172 places worse
paper 0.7834 ±0.0339
best today: Union Subgraph Neural Networks (AAAI 2023)

Difference within reported uncertainty; not counted as underperformance.

paper 0.7834 ±0.0339 Δ today 0.0572
570
PNA
0.8191 ±0.0259
This paper
612
AdamGNN
0.8011 ±0.0258
This paper
623
SAGPool
actual #623 vs paper #709 86 places worse
0.7986 ±0.0236
best reported
actual #623 vs paper #709 86 places worse
paper 0.7527 ±0.0192
paper 0.7527 ±0.0192 Δ at pub 0.0323 Δ today 0.0459
635
StructPool
actual #635 vs paper #677 42 places worse
0.7950 ±0.0075
best reported
actual #635 vs paper #677 42 places worse
paper 0.7713 ±0.0393

Difference within reported uncertainty; not counted as underperformance.

paper 0.7713 ±0.0393 Δ today 0.0237
686
g-U-Net
0.7660 ±0.0503
This paper
690
EigenPool
0.7621 ±0.0274
This paper
#ModelAccuracy ↑Paper
1
WL-MLP
0.9954
2
GIN
actual #2 vs paper #389 387 places worse
0.9934
best reported
actual #2 vs paper #389 387 places worse
paper 0.7617 ±0.0112
best at pub: Provably Powerful Graph Networks (NeurIPS 2019)
paper 0.7617 ±0.0112 Δ at pub 0.0653 Δ today 0.2317
3
GCN
0.9727
5
DiffPool
actual #5 vs paper #374 369 places worse
0.9210 ±0.0260
best reported
actual #5 vs paper #374 369 places worse
paper 0.7647 ±0.0096
paper 0.7647 ±0.0096 Δ at pub 0.0126 Δ today 0.1563
131
GraphSAGE
0.8200 ±0.0100
237
AdamGNN
0.7977 ±0.0129
This paper
253
3WL-GNN
0.7938 ±0.0173
This paper
259
SAGPool
actual #259 vs paper #402 143 places worse
0.7910 ±0.0300
best reported
actual #259 vs paper #402 143 places worse
paper 0.7576 ±0.0129

Difference within reported uncertainty; not counted as underperformance.

paper 0.7576 ±0.0129 Δ at pub 0.0212 Δ today 0.0334
266
PNA
0.7896 ±0.0101
This paper
278
EigenPool
actual #278 vs paper #337 59 places worse
0.7870 ±0.0190
best reported
actual #278 vs paper #337 59 places worse
paper 0.7754 ±0.0182

Difference within reported uncertainty; not counted as underperformance.

paper 0.7754 ±0.0182 Δ at pub 0.0116
284
StructPool
actual #284 vs paper #331 47 places worse
0.7864 ±0.0153
best reported
actual #284 vs paper #331 47 places worse
paper 0.7761 ±0.0108

Difference within reported uncertainty; not counted as underperformance.

paper 0.7761 ±0.0108 Δ today 0.0103
309
ASAP
actual #309 vs paper #309
0.7821 ±0.0175
actual #309 vs paper #309
paper 0.7821 ±0.0175
paper 0.7821 ±0.0175 Δ at pub 0.0673
337
g-U-Net
0.7756 ±0.0192
This paper
415
SortPool
actual #415 vs paper #459 44 places worse
0.7225 ±0.0133
actual #415 vs paper #459 44 places worse
paper 0.7225 ±0.0133
437
GXN
0.7418 ±0.0220
This paper
#ModelAccuracy ↑Paper
1
MSH-GNN
0.9410 ±0.0330
2
GRDL
0.8260 ±0.0120
3
GMN
0.8225
7
DiffPool
actual #7 vs paper #412 405 places worse
0.8161 ±0.0232
best reported
actual #7 vs paper #412 405 places worse
paper 0.7190 ±0.0275
best at pub: Memory-Based Graph Networks (ICLR 2020)
paper 0.7190 ±0.0275 Δ at pub 0.0435 Δ today 0.0971
29
ASAP
actual #29 vs paper #29
0.7892 ±0.0145
actual #29 vs paper #29
paper 0.7892 ±0.0145
paper 0.7892 ±0.0145 Δ at pub 0.0473
31
StructPool
0.7884 ±0.0170
This paper
32
GIN
actual #32 vs paper #208 176 places worse
0.7537 ±0.0162
actual #32 vs paper #208 176 places worse
paper 0.7537 ±0.0162

Improvement within reported uncertainty; not highlighted.

paper 0.7537 ±0.0162 Δ at pub 0.0187
50
3WL-GNN
0.7792 ±0.0209
This paper
54
PNA
0.7772 ±0.0225
This paper
67
SAGE
0.7726 ±0.0228
82
AdamGNN
0.7704 ±0.0078
This paper
149
MLP
0.7600 ±0.0320
152
SortPool
actual #152 vs paper #453 301 places worse
0.7598 ±0.0176
best reported
actual #152 vs paper #453 301 places worse
paper 0.7049 ±0.0237
best at pub: Memory-Based Graph Networks (ICLR 2020)
paper 0.7049 ±0.0237 Δ at pub 0.0505 Δ today 0.0549
154
SAGPool
actual #154 vs paper #220 66 places worse
0.7527 ±0.0057
actual #154 vs paper #220 66 places worse
paper 0.7527 ±0.0057
prev best: Memory-Based Graph Networks (ICLR 2020)
paper 0.7527 ±0.0057 Δ at pub 0.0341
230
EigenPool
actual #230 vs paper #230
0.7519 ±0.0195
actual #230 vs paper #230
paper 0.7519 ±0.0195

Improvement within reported uncertainty; not highlighted.

paper 0.7519 ±0.0195 Δ at pub 0.0109
369
g-U-Net
0.7294 ±0.0368
This paper
401
GXN
0.7226 ±0.0224
This paper
#ModelAccuracy ↑Paper
1
GC-GNN (GCN)
0.9210 ±0.0810
2
SUGAR
0.8403 ±0.0133
3
Ortho-g-U-Nets
0.8387
10
AdamGNN
0.8151 ±0.0156
This paper
15
SAGE
0.8088 ±0.0233
18
DiffPool
actual #18 vs paper #115 97 places worse
0.8064
best reported
actual #18 vs paper #115 97 places worse
paper 0.7616 ±0.0169
best at pub: Graph U-Nets (2019)
best today: Orthogonal Graph Neural Networks (AAAI 2021)
paper 0.7616 ±0.0169 Δ at pub 0.0448 Δ today 0.0448
23
StructPool
0.8010 ±0.0177
This paper
32
ASAP
actual #32 vs paper #32
0.7950 ±0.0180
actual #32 vs paper #32
paper 0.7950 ±0.0180

Improvement within reported uncertainty; not highlighted.

paper 0.7950 ±0.0180 Δ at pub 0.0263
56
SAGPool
actual #56 vs paper #115 59 places worse
0.7870 ±0.0229
best reported
actual #56 vs paper #115 59 places worse
paper 0.7621 ±0.0156

Difference within reported uncertainty; not counted as underperformance.

paper 0.7621 ±0.0156 Δ at pub 0.0249
57
EigenPool
actual #57 vs paper #67 10 places worse
0.7863 ±0.0136
best reported
actual #57 vs paper #67 10 places worse
paper 0.7825 ±0.0178

Difference within reported uncertainty; not counted as underperformance.

paper 0.7825 ±0.0178 Δ at pub 0.0038
66
3WL-GNN
0.7832 ±0.0244
This paper
74
GIN
actual #74 vs paper #74
0.7805 ±0.0189
actual #74 vs paper #74
paper 0.7805 ±0.0189

Improvement within reported uncertainty; not highlighted.

paper 0.7805 ±0.0189 Δ at pub 0.0265
90
SortPool
actual #90 vs paper #155 65 places worse
0.7331 ±0.0243
actual #90 vs paper #155 65 places worse
paper 0.7331 ±0.0243

Improvement within reported uncertainty; not highlighted.

paper 0.7331 ±0.0243 Δ at pub 0.0144 Δ today 0.0419
130
PNA
0.7547 ±0.0252
This paper
138
GXN
0.7492 ±0.0204
This paper
151
g-U-Net
0.7398 ±0.0263
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) Best at pub — reported value improved over the best known when published Improved at pub — later paper surpassed this result Best today — OK at publication; today's leaderboard best is elsewhere