Generative Explanations for Graph Neural Network: Methods and Evaluations

Jialin Chen, Kenza Amara, Junchi Yu, Rex Ying

Main figure for Generative Explanations for Graph Neural Network: Methods and Evaluations

Abstract

Graph Neural Networks (GNNs) achieve state-of-the-art performance in various graph-related tasks. However, the black-box nature often limits their interpretability and trustworthiness. Numerous explainability methods have been proposed to uncover the decision-making logic of GNNs, by generating underlying explanatory substructures. In this paper, we conduct a comprehensive review of the existing explanation methods for GNNs from the perspective of graph generation. Specifically, we propose a unified optimization objective for generative explanation methods, comprising two sub-objectives: Attribution and Information constraints. We further demonstrate their specific manifestations in various generative model architectures and different explanation scenarios. With the unified objective of the explanation problem, we reveal the shared characteristics and distinctions among current methods, laying the foundation for future methodological advancements. Empirical results demonstrate the advantages and limitations of different explainability approaches in terms of explanation performance, efficiency, and generalizability.

Benchmark Results

Tested on 3 datasets

Tables show presented results in global context (best 3 papers + GCN + MLP).

TU Dortmund

#ModelAccuracy ↑Paper
1
MSH-GNN
0.9910 ±0.0030
2
ID-GNN+BEC
0.9830 ±0.0360
3
SupCosine
0.9830 ±0.0250
31
GNN performance
0.9400
This paper
39
GIN
0.9330 ±0.0290
403
MLP
0.8660 ±0.0495

MoleculeNet

GNNBenchmark

#ModelAccuracy ↑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
118
GNN performance
0.9600
This paper
126
MLP
0.9534 ±0.0014
SOTA performance (not significantly different from the best) Baseline / comparison (this paper) Global context (other papers)