Higher-order Clustering and Pooling for Graph Neural Networks
About
Graph Neural Networks achieve state-of-the-art performance on a plethora of graph classification tasks, especially due to pooling operators, which aggregate learned node embeddings hierarchically into a final graph representation. However, they are not only questioned by recent work showing on par performance with random pooling, but also ignore completely higher-order connectivity patterns. To tackle this issue, we propose HoscPool, a clustering-based graph pooling operator that captures higher-order information hierarchically, leading to richer graph representations. In fact, we learn a probabilistic cluster assignment matrix end-to-end by minimising relaxed formulations of motif spectral clustering in our objective function, and we then extend it to a pooling operator. We evaluate HoscPool on graph classification tasks and its clustering component on graphs with ground-truth community structure, achieving best performance. Lastly, we provide a deep empirical analysis of pooling operators' inner functioning.
Related benchmarks
| Task | Dataset | Result | Rank | |
|---|---|---|---|---|
| Graph Classification | NCI1 | Accuracy78 | 460 | |
| Node Clustering | Cora | Accuracy38.17 | 115 | |
| Node Clustering | Citeseer | NMI20 | 110 | |
| Graph Classification | MolHIV | ROC AUC76 | 82 | |
| Graph Classification | REDDIT-B | Accuracy91 | 71 | |
| Graph Regression | Peptides-struct | MAE0.28 | 51 | |
| Node Clustering | DBLP | NMI34 | 39 | |
| Clustering | DBLP | Accuracy62.31 | 27 | |
| Graph Classification | Peptides func | AP73 | 22 | |
| Graph Classification | Multipartite | Accuracy0.63 | 17 |