Graph Mixup with Soft Alignments
Abstract
We study graph data augmentation by mixup, which has been used successfully on images. A key operation of mixup is to compute a convex combination of a pair of inputs. This operation is straightforward for grid-like data, such as images, but challenging for graph data. The key difficulty lies in the fact that different graphs typically have different numbers of nodes, and thus there lacks a node-level correspondence between graphs. In this work, we propose S-Mixup, a simple yet effective mixup method for graph classification by soft alignments. Specifically, given a pair of graphs, we explicitly obtain node-level correspondence via computing a soft assignment matrix to match the nodes between two graphs. Based on the soft assignments, we transform the adjacency and node feature matrices of one graph, so that the transformed graph is aligned with the other graph. In this way, any pair of graphs can be mixed directly to generate an augmented graph. We conduct systematic experiments to show that S-Mixup can improve the performance and generalization of graph neural networks (GNNs) on various graph classification tasks. In addition, we show that S-Mixup can increase the robustness of GNNs against noisy labels.
Benchmark Results
Tested on 3 datasets SOTA at publication on 2
Tables show presented results in global context (best 3 papers + GCN + MLP).
TU Dortmund
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | WL-MLP | 0.9954 | |
| 2 | GIN | 0.9934 | |
| 3 | GCN | 0.9727 | |
| 131 | GraphSAGE | 0.8200
±0.0100 | |
| 312 | G-Mixup | 0.7820
±0.0158 | prev best: Automated Data Augmentations for Graph Classification (ICLR 2022) |
| # | Model | Accuracy ↑ | Paper |
|---|---|---|---|
| 1 | GraphSNN | 0.7790
±0.0360 | |
| 2 | SIN | 0.7560
±0.0320 | |
| 3 | CIN | 0.7560
±0.0370 | |
| 5 | GIN | 0.7510
±0.0510 | |
| 49 | S-Mixup | 0.5073
±0.0366 | This paper |
| 54 | G-Mixup | 0.5033
±0.0367 | This paper |
| 59 | DropNode | 0.5000
±0.0485 | This paper |
| 63 | subgraph | 0.4980
±0.0343 | This paper |
| 64 | SubMix | 0.4980
±0.0401 | This paper |
| 66 | M-Mixup | 0.4973
±0.0267 | This paper |
| 71 | Vanilla | 0.4947
±0.0260 | This paper |
| 79 | DropEdge | 0.4900
±0.0294 | This paper |
OGB
| # | Model | ROC-AUC ↑ | Paper |
|---|---|---|---|
| 1 | Multi-RF Fusion with Multi-GNN Blending | 0.8476
±0.0002 | |
| 2 | HyperFusion | 0.8475
±0.0003 | |
| 3 | PAS+FPs | 0.8420
±0.0015 | |
| 9 | GatedGCN | 0.8090
±0.0160 | |
| 96 | S-Mixup | 0.7809
±0.0089 | This paper |
| 109 | GIN | 0.7780
±0.0182 | |
| 127 | M-Mixup | 0.7742
±0.0077 | prev best: Automated Data Augmentations for Graph Classification (ICLR 2022) |
| 128 | G-Mixup | 0.7742
±0.0145 | prev best: Automated Data Augmentations for Graph Classification (ICLR 2022) Improvement within reported uncertainty; not highlighted. |
| 163 | Vanilla | 0.7684
±0.0054 | This paper |
| 188 | DropEdge | 0.7620
±0.0100 best reported | best at pub: Automated Data Augmentations for Graph Classification (ICLR 2022) Difference within reported uncertainty; not counted as underperformance. |
| 200 | DropNode | 0.7604
±0.0100 best reported | best today: RADE: Random Add-Drop Edge as a Regularizer (ICML 2026) Difference within reported uncertainty; not counted as underperformance. |
| 290 | SubMix | 0.6994
±0.0048 | This paper |
| 292 | subgraph | 0.6945
±0.0168 | This paper |
