Hierarchical Representation Learning in Graph Neural Networks with Node Decimation Pooling
Abstract
In graph neural networks (GNNs), pooling operators compute local summaries of input graphs to capture their global properties, and they are fundamental for building deep GNNs that learn hierarchical representations. In this work, we propose the Node Decimation Pooling (NDP), a pooling operator for GNNs that generates coarser graphs while preserving the overall graph topology. During training, the GNN learns new node representations and fits them to a pyramid of coarsened graphs, which is computed offline in a pre-processing stage. NDP consists of three steps. First, a node decimation procedure selects the nodes belonging to one side of the partition identified by a spectral algorithm that approximates the solution. Afterwards, the selected nodes are connected with Kron reduction to form the coarsened graph. Finally, since the resulting graph is very dense, we apply a sparsification procedure that prunes the adjacency matrix of the coarsened graph to reduce the computational cost in the GNN. Notably, we show that it is possible to remove many edges without significantly altering the graph structure. Experimental results show that NDP is more efficient compared to state-of-the-art graph pooling operators while reaching, at the same time, competitive performance on a significant variety of graph classification tasks.
Benchmark Results
Tested on 3 datasets 2 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 | 0.9410
±0.0330 | |
| 2 | GRDL | 0.8260
±0.0120 | |
| 3 | GMN | 0.8225 | |
| 7 | DiffPool | 0.8161
±0.0232 best reported | best at pub: Fast Graph Representation Learning with PyTorch Geometric (ICLR 2019) |
| 32 | GIN | 0.7880
±0.0410 | |
| 149 | MLP | 0.7600
±0.0320 | |
| 190 | WL | 0.7560
±0.0040 best reported | best at pub: On Valid Optimal Assignment Kernels and Applications to Graph Classification (NeurIPS 2016) |
| 348 | ndp | 0.7340
±0.0310 | This paper |
| 367 | Graclus | 0.7300
±0.0410 best reported | best at pub: Fast Graph Representation Learning with PyTorch Geometric (ICLR 2019) Difference within reported uncertainty; not counted as underperformance. |
| 382 | Flat | 0.7260
±0.0480 | This paper |
| 428 | NMF | 0.7160
±0.0410 | This paper |
| 461 | Top-k | 0.6960
±0.0330 | This paper |
| 466 | DENSE | 0.6870
±0.0330 | This paper |
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | GMN | 0.7866 | |
| 2 | MemGNN | 0.7550 | |
| 3 | TFGW SP | 0.7510
±0.0500 | |
| 17 | GatedGCN | 0.7000
±0.0494 | |
| 18 | WL | 0.6950
±0.0320 best reported | best at pub: Dynamic Edge-Conditioned Filters in Convolutional Neural Networks on Graphs (2017) best today: Template based Graph Neural Network with Optimal Transport Distances (NeurIPS 2022) |
| 26 | GraphSAGE | 0.6817
±0.0545 | |
| 70 | DiffPool | 0.2460
±0.0530 | prev best: DEMO-Net: Degree-specific Graph Neural Networks for Node and Graph Classification (KDD 2019) best today: MathNet: Haar-Like Wavelet Multiresolution-Analysis for Graph Representation and Learning (2020) Improvement within reported uncertainty; not highlighted. |
| 83 | Graclus | 0.6100
±0.0660 best reported | best today: The expressive power of pooling in Graph Neural Networks (NeurIPS 2023) |
| 124 | MLP | 0.5583
±0.0352 | |
| 152 | Flat | 0.5200
±0.1230 | This paper |
| 168 | DENSE | 0.4570
±0.0990 | This paper |
| 171 | Top-k | 0.4550
±0.1050 best reported | best today: The expressive power of pooling in Graph Neural Networks (NeurIPS 2023) Difference within reported uncertainty; not counted as underperformance. |
| 173 | ndp | 0.4450
±0.0740 | This paper |
| 188 | NMF | 0.3990
±0.0360 | This paper |
GNNBenchmark
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | Schrödinger | 0.9913
±0.0004 | |
| 2 | CNN | 0.9907
±0.0007 | |
| 3 | MPNN | 0.9895
±0.0006 | |
| 11 | GatedGCN | 0.9855
±0.0002 | |
| 32 | GIN | 0.9833
±0.0011 | |
| 103 | ndp | 0.9709
±0.0001 | This paper |
| 113 | Graclus | 0.9621
±0.0018 | This paper |
| 126 | MLP | 0.9534
±0.0014 | |
| 133 | NMF | 0.9415
±0.0017 | This paper |
| 152 | DiffPool | 0.2400 | This paper |
| 154 | Top-k | 0.1100 | This paper |
