Beyond Topological Self-Explainable GNNs: A Formal Explainability Perspective
Abstract
Self-Explainable Graph Neural Networks (SE-GNNs) are popular explainable-by-design GNNs, but their explanations'properties and limitations are not well understood. Our first contribution fills this gap by formalizing the explanations extracted by some popular SE-GNNs, referred to as Minimal Explanations (MEs), and comparing them to established notions of explanations, namely Prime Implicant (PI) and faithful explanations. Our analysis reveals that MEs match PI explanations for a restricted but significant family of tasks. In general, however, they can be less informative than PI explanations and are surprisingly misaligned with widely accepted notions of faithfulness. Although faithful and PI explanations are informative, they are intractable to find and we show that they can be prohibitively large. Given these observations, a natural choice is to augment SE-GNNs with alternative modalities of explanations taking care of SE-GNNs'limitations. To this end, we propose Dual-Channel GNNs that integrate a white-box rule extractor and a standard SE-GNN, adaptively combining both channels. Our experiments show that even a simple instantiation of Dual-Channel GNNs can recover succinct rules and perform on par or better than widely used SE-GNNs.
Benchmark Results
Tested on 2 datasets 4 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 | 0.9910
±0.0030 | |
| 2 | ID-GNN+BEC | 0.9830
±0.0360 | |
| 3 | SupCosine | 0.9830
±0.0250 | |
| 8 | GSAT | 0.9637
±0.0215 best reported | best at pub: Interpretable Prototype-based Graph Information Bottleneck (NeurIPS 2023) |
| 14 | DIR | 0.9601
±0.0224 best reported | |
| 39 | GIN | 0.9330
±0.0290 best reported | best at pub: ProtGNN: Towards Self-Explaining Graph Neural Networks (AAAI 2021) |
| 63 | GCN | 0.9220
±0.0440 | |
| 403 | MLP | 0.8660
±0.0495 | |
| 616 | DC-SMGNN | 0.8000
±0.0200 | This paper |
| 647 | DC-GISST | 0.7900
±0.0200 | This paper |
| 648 | DC-GSAT | 0.7900
±0.0200 | This paper |
| 649 | SMGNN | 0.7900
±0.0200 | This paper |
| 662 | GISST | 0.7800
±0.0200 | This paper |
| 663 | DC-DIR | 0.7800
±0.0400 | This paper |
MoleculeNet
| # | Model | ROC-AUC ↑ | Paper |
|---|---|---|---|
| 1 | MAGPrompt+ | 0.9432
±0.0238 | |
| 2 | CamS-LLaMA | 0.9420 | |
| 3 | SE(3)-I MPPH | 0.9400
±0.0210 | |
| 34 | GIN | 0.8875
±0.0049 best reported | |
| 38 | GCN | 0.8810
±0.0360 | |
| 114 | GSAT | 0.7155
±0.0156 best reported | |
| 158 | DIR | 0.6973
±0.0154 best reported | |
| 254 | GISST | 0.6600
±0.0300 | This paper |
| 255 | SMGNN | 0.6600
±0.0300 | This paper |
| 270 | DC-GISST | 0.6500
±0.0200 | This paper |
| 271 | DC-GSAT | 0.6500
±0.0300 | This paper |
| 272 | DC-SMGNN | 0.6500
±0.0500 | This paper |
| 273 | DC-DIR | 0.6500
±0.0200 | This paper |
