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.
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
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | MSH-GNN | 0.9910
±0.0030 | |
| 2 | ID-GNN+BEC | 0.9830
±0.0360 | |
| 3 | SupCosine | 0.9830
±0.0250 | |
| 39 | GIN | 0.9330
±0.0290 best reported | best at pub: Provably Powerful Graph Networks (NeurIPS 2019) best today: ProtGNN: Towards Self-Explaining Graph Neural Networks (AAAI 2021) |
| 63 | GCN | 0.9220
±0.0440 | |
| 190 | SortPool | 0.9000
±0.0224 best reported | best at pub: Fast Graph Representation Learning with PyTorch Geometric (ICLR 2019) |
| 239 | DiffPool | 0.8940
±0.0460 best reported | best at pub: Fast Graph Representation Learning with PyTorch Geometric (ICLR 2019) best today: Graph Classification via Reference Distribution Learning: Theory and Practice (NeurIPS 2024) |
| 367 | ASAP | 0.8740
±0.0570 best reported | best today: Graph Classification via Reference Distribution Learning: Theory and Practice (NeurIPS 2024) |
| 403 | MLP | 0.8660
±0.0495 | |
| 419 | GXN | 0.8610
±0.0830 best reported | best today: Supervised Contrastive Learning with Structure Inference for Graph Classification (2022) Difference within reported uncertainty; not counted as underperformance. |
| 483 | 3WL-GNN | 0.8406
±0.0662 best reported | best today: Union Subgraph Neural Networks (AAAI 2023) Difference within reported uncertainty; not counted as underperformance. |
| 570 | PNA | 0.8191
±0.0259 | This paper |
| 612 | AdamGNN | 0.8011
±0.0258 | This paper |
| 623 | SAGPool | 0.7986
±0.0236 best reported | best at pub: Graph Neural Networks in TensorFlow and Keras with Spektral (2020) best today: Embedding Graphs on Grassmann Manifold (2022) |
| 635 | StructPool | 0.7950
±0.0075 best reported | best today: Cluster-wise Graph Transformer with Dual-granularity Kernelized Attention (NeurIPS 2024) Difference within reported uncertainty; not counted as underperformance. |
| 686 | g-U-Net | 0.7660
±0.0503 | This paper |
| 690 | EigenPool | 0.7621
±0.0274 | This paper |
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | WL-MLP | 0.9954 | |
| 2 | GIN | 0.9934 best reported | best at pub: Provably Powerful Graph Networks (NeurIPS 2019) best today: 1-WL Expressiveness Is (Almost) All You Need (2022) |
| 3 | GCN | 0.9727 | |
| 5 | DiffPool | 0.9210
±0.0260 best reported | best at pub: Contrastive Self-supervised Learning for Graph Classification (AAAI 2020) best today: Where to Mask: Structure-Guided Masking for Graph Masked Autoencoders (IJCAI 2024) |
| 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 | 0.7910
±0.0300 best reported | best at pub: Contrastive Self-supervised Learning for Graph Classification (AAAI 2020) best today: The expressive power of pooling in Graph Neural Networks (NeurIPS 2023) Difference within reported uncertainty; not counted as underperformance. |
| 266 | PNA | 0.7896
±0.0101 | This paper |
| 278 | EigenPool | 0.7870
±0.0190 best reported | best at pub: GraphCrop: Subgraph Cropping for Graph Classification (2020) Difference within reported uncertainty; not counted as underperformance. |
| 284 | StructPool | 0.7864
±0.0153 best reported | best today: Structural Entropy Guided Graph Hierarchical Pooling (ICML 2022) Difference within reported uncertainty; not counted as underperformance. |
| 309 | ASAP | 0.7821
±0.0175 | prev best: ASAP: Adaptive Structure Aware Pooling for Learning Hierarchical Graph Representations (AAAI 2019) |
| 337 | g-U-Net | 0.7756
±0.0192 | This paper |
| 415 | SortPool | 0.7225
±0.0133 | |
| 437 | GXN | 0.7418
±0.0220 | This paper |
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | MSH-GNN | 0.9410
±0.0330 | |
| 2 | GRDL | 0.8260
±0.0120 | |
| 3 | GMN | 0.8225 | |
| 7 | DiffPool | 0.8161
±0.0232 best reported | best at pub: Memory-Based Graph Networks (ICLR 2020) |
| 29 | ASAP | 0.7892
±0.0145 | prev best: ASAP: Adaptive Structure Aware Pooling for Learning Hierarchical Graph Representations (AAAI 2019) |
| 31 | StructPool | 0.7884
±0.0170 | This paper |
| 32 | GIN | 0.7537
±0.0162 | prev best: GraphCrop: Subgraph Cropping for Graph Classification (2020) Improvement within reported uncertainty; not highlighted. |
| 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 | 0.7598
±0.0176 best reported | best at pub: Memory-Based Graph Networks (ICLR 2020) |
| 154 | SAGPool | 0.7527
±0.0057 | prev best: Memory-Based Graph Networks (ICLR 2020) |
| 230 | EigenPool | 0.7519
±0.0195 | prev best: GraphCrop: Subgraph Cropping for Graph Classification (2020) Improvement within reported uncertainty; not highlighted. |
| 369 | g-U-Net | 0.7294
±0.0368 | This paper |
| 401 | GXN | 0.7226
±0.0224 | This paper |
| # | Model | Accuracy ↑ | 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 | 0.8064 best reported | best at pub: Graph U-Nets (2019) best today: Orthogonal Graph Neural Networks (AAAI 2021) |
| 23 | StructPool | 0.8010
±0.0177 | This paper |
| 32 | ASAP | 0.7950
±0.0180 | prev best: ASAP: Adaptive Structure Aware Pooling for Learning Hierarchical Graph Representations (AAAI 2019) Improvement within reported uncertainty; not highlighted. |
| 56 | SAGPool | 0.7870
±0.0229 best reported | best at pub: Contrastive Self-supervised Learning for Graph Classification (AAAI 2020) Difference within reported uncertainty; not counted as underperformance. |
| 57 | EigenPool | 0.7863
±0.0136 best reported | best at pub: Contrastive Self-supervised Learning for Graph Classification (AAAI 2020) Difference within reported uncertainty; not counted as underperformance. |
| 66 | 3WL-GNN | 0.7832
±0.0244 | This paper |
| 74 | GIN | 0.7805
±0.0189 | prev best: GraphCrop: Subgraph Cropping for Graph Classification (2020) Improvement within reported uncertainty; not highlighted. |
| 90 | SortPool | 0.7331
±0.0243 | prev best: ASAP: Adaptive Structure Aware Pooling for Learning Hierarchical Graph Representations (AAAI 2019) best today: On Exploring Node-feature and Graph-structure Diversities for Node Drop Graph Pooling (2023) Improvement within reported uncertainty; not highlighted. |
| 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 |
