Node Representation Learning in Graph via Node-to-Neighbourhood Mutual Information Maximization
Abstract
The key towards learning informative node representations in graphs lies in how to gain contextual information from the neighbourhood. In this work, we present a simple-yet-effective self-supervised node representation learning strategy via directly maximizing the mutual information between the hidden representations of nodes and their neighbourhood, which can be theoretically justified by its link to graph smoothing. Following InfoNCE, our framework is optimized via a surrogate contrastive loss, where the positive selection underpins the quality and efficiency of representation learning. To this end, we propose a topology-aware positive sampling strategy, which samples positives from the neighbourhood by considering the structural dependencies between nodes and thus enables positive selection upfront. In the extreme case when only one positive is sampled, we fully avoid expensive neighbourhood aggregation. Our methods achieve promising performance on various node classification datasets. It is also worth mentioning by applying our loss function to MLP based node encoders, our methods can be orders of faster than existing solutions. Our codes and supplementary materials are available at.
Benchmark Results
Tested on 3 datasets 11 baseline values reported too low
Tables show presented results in global context (best 3 papers + GCN + MLP).
Classic
| # | Model | Accuracy ↑ | 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 best reported | best at pub: SplineCNN: Fast Geometric Deep Learning with Continuous B-Spline Kernels (2017) best today: Understanding Heterophily for Graph Neural Networks (ICML 2024) |
| 31 | SplineCNN | 0.8948
±0.0031 best reported | best at pub: SplineCNN: Fast Geometric Deep Learning with Continuous B-Spline Kernels (2017) |
| 39 | SAGE | 0.8911
±0.0012 | |
| 44 | GAT | 0.8897
±0.0014 best reported | best at pub: Learned Low Precision Graph Neural Networks (2020) |
| 83 | N2N | 0.8820
±0.0005 | This paper |
| 94 | N2N-TAPS-4 (URL) | 0.8804
±0.0011 | This paper |
| 102 | N2N-TAPS-3 (URL) | 0.8796
±0.0008 | This paper |
| 109 | N2N-TAPS-5 (URL) | 0.8784
±0.0009 | This paper |
| 143 | Graph-MLP | 0.8250
±0.0010 | prev best: Graph-MLP: Node Classification without Message Passing in Graph (2021) best today: Node Identifiers: Compact, Discrete Representations for Efficient Graph Learning (ICLR 2024) |
| 156 | MVGRL | 0.8538
±0.0006 | prev best: SAIL: Self-Augmented Graph Contrastive Learning (AAAI 2020) best today: Adaptive Negative Scheduling for Graph Contrastive Learning (2026) |
| 176 | N2N-TAPS-2 (JL) | 0.8636
±0.0016 | This paper |
| 177 | DGI | 0.8508
±0.0005 | prev best: Deep Learning on Graphs: A Survey (2018) best today: Oversmoothing: A Nightmare for Graph Contrastive Learning? (2023) |
| 206 | N2N-TAPS-1 (JL) | 0.8546
±0.0008 | This paper |
| 210 | PNA | 0.8540
±0.0012 | This paper |
| 218 | GMI | 0.8526
±0.0008 | prev best: SAIL: Self-Augmented Graph Contrastive Learning (AAAI 2020) |
| 222 | CS-GCN | 0.8514
±0.0004 | This paper |
| 223 | SGC | 0.8425
±0.0010 | prev best: Learning Conjoint Attentions for Graph Neural Nets (NeurIPS 2021) |
| 224 | GraphSAGE-mean | 0.8504
±0.0012 | prev best: Graph-Coupled Oscillator Networks (ICML 2022) Improvement within reported uncertainty; not highlighted. |
| 226 | FastGCN | 0.8500 best reported | best at pub: Tackling Over-Smoothing for General Graph Convolutional Networks (2020) best today: Training Robust Graph Neural Networks with Topology Adaptive Edge Dropping (2021) |
| 251 | L2-GCN | 0.8456
±0.0003 | This paper |
| 268 | InfoGraph | 0.8432
±0.0008 | This paper |
| 378 | N2N-Random-1 (JL) | 0.8346
±0.0018 | This paper |
| 435 | DeepWalk | 0.8290 best reported | best at pub: Graph Representation Learning: A Survey (2019) |
| 645 | Node2Vec | 0.8030 best reported | best at pub: Graph Representation Learning: A Survey (2019) |
| 724 | MLP | 0.7768 |
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | CNA | 0.9575
±0.0058 | |
| 2 | IS-GIB | 0.9390
±0.0187 | |
| 3 | EERM | 0.9112
±0.0145 | |
| 30 | N2N-TAPS-4 (JL) | 0.8106
±0.0011 | This paper |
| 33 | N2N | 0.8090
±0.0021 | This paper |
| 34 | N2N-TAPS-5 (JL) | 0.8084
±0.0011 | This paper |
| 35 | GAT | 0.8080
±0.0026 best reported | best at pub: Gophormer: Ego-Graph Transformer for Node Classification (2021) best today: Feature Expansion for Graph Neural Networks (ICML 2023) |
| 39 | N2N-TAPS-3 (JL) | 0.8064
±0.0014 | This paper |
| 43 | N2N-TAPS-2 (JL) | 0.8034
±0.0006 | This paper |
| 44 | GCN | 0.8033
±0.0088 best reported | best at pub: Gophormer: Ego-Graph Transformer for Node Classification (2021) |
| 45 | N2N-TAPS-1 (JL) | 0.8024
±0.0013 | This paper |
| 61 | GraphSAGE | 0.7923
±0.0053 | |
| 66 | DGI | 0.7882
±0.0015 | prev best: Deep Learning on Graphs: A Survey (2018) |
| 69 | Graph-MLP | 0.7886
±0.0008 | prev best: Graph-MLP: Node Classification without Message Passing in Graph (2021) |
| 70 | CS-GCN | 0.7885
±0.0016 | This paper |
| 71 | InfoGraph | 0.7885
±0.0012 | This paper |
| 72 | SplineCNN | 0.7883
±0.0013 | This paper |
| 73 | GMI | 0.7869
±0.0016 | prev best: SAIL: Self-Augmented Graph Contrastive Learning (AAAI 2020) |
| 85 | PNA | 0.7828
±0.0005 | This paper |
| 87 | MVGRL | 0.7808
±0.0006 | prev best: Graph Masked Autoencoders with Transformers (2022) |
| 93 | GraphSAGE-mean | 0.7782
±0.0015 | prev best: Graph-Coupled Oscillator Networks (ICML 2022) |
| 96 | SGC | 0.7765
±0.0012 | prev best: Deep Learning on Graphs: A Survey (2018) |
| 97 | FastGCN | 0.7765
±0.0005 | prev best: Tackling Over-Smoothing for General Graph Convolutional Networks (2020) Improvement within reported uncertainty; not highlighted. |
| 112 | L2-GCN | 0.7706
±0.0008 | This paper |
| 118 | N2N-Random-1 (JL) | 0.7685
±0.0030 | This paper |
| 350 | MLP | 0.7289
±0.0010 | |
| 692 | DeepWalk | 0.6024
±0.0028 | prev best: Graph-MLP: Node Classification without Message Passing in Graph (2021) best today: Decoupled Self-supervised Learning for Non-Homophilou Graphs (2022) |
| 766 | Node2Vec | 0.6552
±0.0018 | prev best: Attention-based Graph Neural Network for Semi-supervised Learning (2018) |
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | LGTL | 0.9518
±0.0011 | |
| 2 | MixHop (LO) | 0.9513
±0.0038 | |
| 3 | GraphSAGE (LO) | 0.9511
±0.0036 | |
| 18 | GCN | 0.9296
±0.0015 best reported | best at pub: Tackling Over-Smoothing for General Graph Convolutional Networks (2020) |
| 20 | GAT | 0.9233
±0.0018 best reported | best at pub: Tackling Over-Smoothing for General Graph Convolutional Networks (2020) |
| 38 | N2N-TAPS-1 (JL) | 0.9108
±0.0016 | This paper |
| 42 | N2N | 0.9092
±0.0009 | This paper |
| 44 | N2N-TAPS-4 (JL) | 0.9078
±0.0007 | This paper |
| 45 | N2N-TAPS-5 (JL) | 0.9078
±0.0020 | This paper |
| 46 | N2N-TAPS-2 (JL) | 0.9076
±0.0014 | This paper |
| 47 | N2N-TAPS-3 (JL) | 0.9074
±0.0005 | This paper |
| 113 | Graph-MLP | 0.8893
±0.0063 best reported | best today: Node Identifiers: Compact, Discrete Representations for Efficient Graph Learning (ICLR 2024) |
| 116 | SAGE | 0.8881
±0.0015 | |
| 141 | SGC | 0.8668
±0.0006 | prev best: Learning Conjoint Attentions for Graph Neural Nets (NeurIPS 2021) |
| 159 | FastGCN | 0.8800 best reported | best at pub: Tackling Over-Smoothing for General Graph Convolutional Networks (2020) best today: Training Robust Graph Neural Networks with Topology Adaptive Edge Dropping (2021) |
| 164 | SplineCNN | 0.8782
±0.0008 | This paper |
| 169 | CS-GCN | 0.8775
±0.0008 | This paper |
| 185 | InfoGraph | 0.8756
±0.0012 | This paper |
| 195 | GMI | 0.8726
±0.0016 | prev best: SAIL: Self-Augmented Graph Contrastive Learning (AAAI 2020) |
| 196 | MVGRL | 0.8725
±0.0012 | prev best: SAIL: Self-Augmented Graph Contrastive Learning (AAAI 2020) |
| 198 | PNA | 0.8720
±0.0007 | This paper |
| 200 | GraphSAGE-mean | 0.8715
±0.0014 | prev best: Graph-Coupled Oscillator Networks (ICML 2022) |
| 204 | DGI | 0.8703
±0.0008 | |
| 210 | MLP | 0.8690
±0.0074 | |
| 214 | L2-GCN | 0.8680
±0.0006 | This paper |
| 223 | DeepWalk | 0.8652
±0.0012 | prev best: Contrastive Laplacian Eigenmaps (NeurIPS 2022) |
| 227 | N2N-Random-1 (JL) | 0.8620
±0.0008 | This paper |
| 251 | Node2Vec | 0.8520
±0.0002 | prev best: Attention-based Graph Neural Network for Semi-supervised Learning (2018) |
