Discovering Invariant Rationales for Graph Neural Networks
Abstract
Intrinsic interpretability of graph neural networks (GNNs) is to find a small subset of the input graph's features --- rationale --- which guides the model prediction. Unfortunately, the leading rationalization models often rely on data biases, especially shortcut features, to compose rationales and make predictions without probing the critical and causal patterns. Moreover, such data biases easily change outside the training distribution. As a result, these models suffer from a huge drop in interpretability and predictive performance on out-of-distribution data. In this work, we propose a new strategy of discovering invariant rationale (DIR) to construct intrinsically interpretable GNNs. It conducts interventions on the training distribution to create multiple interventional distributions. Then it approaches the causal rationales that are invariant across different distributions while filtering out the spurious patterns that are unstable. Experiments on both synthetic and real-world datasets validate the superiority of our DIR in terms of interpretability and generalization ability on graph classification over the leading baselines. Code and datasets are available at https://github.com/Wuyxin/DIR-GNN.
Benchmark Results
Tested on 1 dataset
Tables show presented results in global context (best 3 papers + GCN + MLP).
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 | |
| 18 | GSN | 0.8039
±0.0090 best reported | best today: GRANOLA: Adaptive Normalization for Graph Neural Networks (NeurIPS 2024) |
| 109 | GIN | 0.7780
±0.0182 | |
| 124 | Attention | 0.7584
±0.0133 | prev best: How Framelets Enhance Graph Neural Networks (ICML 2021) Improvement within reported uncertainty; not highlighted. |
| 152 | DIR | 0.7705
±0.0057 | This paper |
| 155 | IRM | 0.7702
±0.0107 best reported | best today: Graph Rationalization with Environment-based Augmentations (KDD 2022) Difference within reported uncertainty; not counted as underperformance. |
| 187 | ERM | 0.7620
±0.0114 | This paper |
| 198 | DIR-Var | 0.7605
±0.0086 | This paper |
| 218 | V-REx | 0.7562
±0.0079 | This paper |
| 228 | Group DRO | 0.7544
±0.0270 | This paper |
| 262 | ASAP | 0.7381
±0.0117 | This paper |
| 268 | SAG Pool | 0.7326
±0.0084 | This paper |
| 273 | Top-k Pool | 0.7301
±0.0165 | This paper |
