Implicit Graph Neural Networks
Abstract
Graph Neural Networks (GNNs) are widely used deep learning models that learn meaningful representations from graph-structured data. Due to the finite nature of the underlying recurrent structure, current GNN methods may struggle to capture long-range dependencies in underlying graphs. To overcome this difficulty, we propose a graph learning framework, called Implicit Graph Neural Networks (IGNN.), where predictions are based on the solution of a fixed-point equilibrium equation involving implicitly defined ``state'' vectors. We use the Perron-Frobenius theory to derive sufficient conditions that ensure well-posedness of the framework. Leveraging implicit differentiation, we derive a tractable projected gradient descent method to train the framework. Experiments on a comprehensive range of tasks show that IGNNs consistently capture long-range dependencies and outperform the state-of-the-art GNN models.
Benchmark Results
Tested on 5 datasets 3 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 | |
| 159 | WL | 0.9040
±0.0570 best reported | best at pub: Understanding Isomorphism Bias in Graph Data Sets (2019) best today: How Powerful are $K$-hop Message Passing Graph Neural Networks (NeurIPS 2022) Difference within reported uncertainty; not counted as underperformance. |
| 262 | IGNN | 0.8930
±0.0670 | This paper |
| 308 | FDGNN | 0.8850
±0.0380 | This paper |
| 403 | MLP | 0.8660
±0.0495 | |
| 501 | RW | 0.8370
±0.0150 best reported | best at pub: Learning Convolutional Neural Networks for Graphs (ICML 2016) |
| 506 | GK | 0.8350
±0.0060 best reported | best at pub: Contrastive Multi-View Representation Learning on Graphs (ICML 2020) best today: Supervised Contrastive Learning with Structure Inference for Graph Classification (2022) Difference within reported uncertainty; not counted as underperformance. |
| # | 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 | |
| 12 | WL | 0.8590
±0.0010 best reported | best at pub: Propagation Kernels (2014) |
| 28 | PK | 0.8450
±0.0010 best reported | best at pub: Propagation Kernels (2014) |
| 131 | GraphSAGE | 0.8200
±0.0100 | |
| 196 | IGNN | 0.8050
±0.0190 | This paper |
| 329 | FDGNN | 0.7780
±0.0160 | This paper |
| 519 | GK | 0.6250
±0.0030 | prev best: Provably Powerful Graph Networks (NeurIPS 2019) best today: GPS: graph contrastive learning via multi-scale augmented views from adversarial pooling (2024) Improvement within reported uncertainty; not highlighted. |
Heterogeneous Graph Benchmarks
| # | Model | Micro-F1 ↑ | Paper |
|---|---|---|---|
| 1 | LMSPS | 0.9566
±0.0020 | |
| 2 | PSHGCN | 0.9561
±0.0012 | |
| 3 | RpHGNN | 0.9555
±0.0029 | |
| 21 | GCN | 0.9460
±0.0031 | |
| 37 | HAN | 0.9369 best reported | |
| 44 | DMGI | 0.9331 best reported | |
| 79 | DGI | 0.9016
±0.0060 best reported | best today: Heterogeneous Graph Contrastive Multi-view Learning (2022) |
| 81 | DeepWalk | 0.9012
±0.0045 best reported | best today: Generative-Contrastive Heterogeneous Graph Neural Network (2024) |
| 159 | IGNN | 0.7380 | This paper |
| 163 | GCN/GAT | 0.7170 | This paper |
| 166 | MGCN | 0.7130 | This paper |
| 176 | MLP | 0.6447
±0.0136 |
| # | Model | Micro-F1 ↑ | Paper |
|---|---|---|---|
| 1 | LMSPS | 0.9469
±0.0036 | |
| 2 | PSHGCN | 0.9427
±0.0023 | |
| 3 | SlotGAT | 0.9406
±0.0022 | |
| 29 | GCN | 0.9229 | |
| 43 | HAN | 0.9147
±0.0022 best reported | best today: Beyond Redundancy: Information-aware Unsupervised Multiplex Graph Structure Learning (NeurIPS 2024) |
| 57 | IGNN | 0.9050 | This paper |
| 64 | DMGI | 0.8980 | This paper |
| 74 | DGI | 0.8844
±0.0030 best reported | best today: Heterogeneous Graph Contrastive Multi-view Learning (2022) Difference within reported uncertainty; not counted as underperformance. |
| 81 | MGCN | 0.8788
±0.0054 best reported | best today: Mixed Graph Contrastive Network for Semi-Supervised Node Classification (2022) |
| 85 | GCN/GAT | 0.8700 | This paper |
| 100 | DeepWalk | 0.8178
±0.0004 best reported | best today: Heterogeneous Graph Contrastive Multi-view Learning (2022) |
| 109 | MLP | 0.7102
±0.0221 |
| # | Model | Micro-F1 ↑ | Paper |
|---|---|---|---|
| 1 | ELLA | 0.7930
±0.0010 | |
| 2 | MHGCN | 0.7820
±0.0138 | |
| 3 | PSHGCN | 0.7446
±0.0032 | |
| 14 | GCN | 0.6813
±0.0083 | |
| 18 | HAN | 0.6769
±0.0064 best reported | best today: Spectral Heterogeneous Graph Convolutions via Positive Noncommutative Polynomials (WWW 2023) |
| 31 | IGNN | 0.6550 | This paper |
| 33 | DMGI | 0.6480 | This paper |
| 43 | MGCN | 0.6308
±0.0038 best reported | best today: Geometry Contrastive Learning on Heterogeneous Graphs (2022) Difference within reported uncertainty; not counted as underperformance. |
| 49 | GCN/GAT | 0.6110 | This paper |
| 54 | DGI | 0.6060 | This paper |
| 68 | DeepWalk | 0.5636
±0.0033 best reported | best today: Heterogeneous Graph Contrastive Multi-view Learning (2022) |
| 74 | MLP | 0.5514 |
