Paper Index of XAI for GNNs in NeurIPS¶

Year 2023¶

1. TempME: Towards the Explainability of Temporal Graph Neural Networks via Motif Discovery.(1) Jialin Chen, Rex Ying. [paper]

1. Abstract

   Temporal graphs are widely used to model dynamic systems with time-varying interactions. In real-world scenarios, the underlying mechanisms of generating future interactions in dynamic systems are typically governed by a set of recurring substructures within the graph, known as temporal motifs. Despite the success and prevalence of current temporal graph neural networks (TGNN), it remains uncertain which temporal motifs are recognized as the significant indications that trigger a certain prediction from the model, which is a critical challenge for advancing the explainability and trustworthiness of current TGNNs. To address this challenge, we propose a novel approach, called Temporal Motifs Explainer (TempME), which uncovers the most pivotal temporal motifs guiding the prediction of TGNNs. Derived from the information bottleneck principle, TempME extracts the most interaction-related motifs while minimizing the amount of contained information to preserve the sparsity and succinctness of the explanation. Events in the explanations generated by TempME are verified to be more spatiotemporally correlated than those of existing approaches, providing more understandable insights. Extensive experiments validate the superiority of TempME, with up to 8.21% increase in terms of explanation accuracy across six real-world datasets and up to 22.96% increase in boosting the prediction Average Precision of current TGNNs.

2. V-InFoR: A Robust Graph Neural Networks Explainer for Structurally Corrupted Graphs.(1) Senzhang Wang, Jun Yin, Chaozhuo Li, Xing Xie, Jianxin Wang. [paper]

1. Abstract

   GNN explanation method aims to identify an explanatory subgraph which contains the most informative components of the full graph. However, a major limitation of existing GNN explainers is that they are not robust to the structurally corrupted graphs, e.g., graphs with noisy or adversarial edges. On the one hand, existing GNN explainers mostly explore explanations based on either the raw graph features or the learned latent representations, both of which can be easily corrupted. On the other hand, the corruptions in graphs are irregular in terms of the structural properties, e.g., the size or connectivity of graphs, which makes the rigorous constraints used by previous GNN explainers unfeasible. To address these issues, we propose a robust GNN explainer called V-InfoR. Specifically, a robust graph representation extractor, which takes insights of variational inference, is proposed to infer the latent distribution of graph representations. Instead of directly using the corrupted raw features or representations of each single graph, we sample the graph representations from the inferred distribution for the downstream explanation generator, which can effectively eliminate the minor corruption. We next formulate the explanation exploration as a graph information bottleneck (GIB) optimization problem. As a more general method that does not need any rigorous structural constraints, our GIB-based method can adaptively capture both the regularity and irregularity of the severely corrupted graphs for explanation. Extensive evaluations on both synthetic and real-world datasets indicate that V-InfoR significantly improves the GNN explanation performance for the structurally corrupted graphs. Code and dataset are available at https://anonymous.4open.science/r/V-InfoR-EF88.

3. Train Once and Explain Everywhere: Pre-training Interpretable Graph Neural Networks.(1) Jun Yin, Chaozhuo Li, Hao Yan, Jianxun Lian, Senzhang Wang. [paper]

1. Abstract

   Intrinsic interpretable graph neural networks aim to provide transparent predictions by identifying the influential fraction of the input graph that guides the model prediction, i.e., the explanatory subgraph. However, current interpretable GNNs mostly are dataset-specific and hard to generalize to different graphs. A more generalizable GNN interpretation model which can effectively distill the universal structural patterns of different graphs is until-now unexplored. Motivated by the great success of recent pre-training techniques, we for the first time propose the Pre-training Interpretable Graph Neural Network (\(\pi\)-GNN) to distill the universal interpretability of GNNs by pre-training over synthetic graphs with ground-truth explanations. Specifically, we introduce a structural pattern learning module to extract diverse universal structure patterns and integrate them together to comprehensively represent the graphs of different types. Next, a hypergraph refining module is proposed to identify the explanatory subgraph by incorporating the universal structure patterns with local edge interactions. Finally, the task-specific predictor is cascaded with the pre-trained \(\pi\)-GNN model and fine-tuned over downstream tasks. Extensive experiments demonstrate that \(\pi\)-GNN significantly surpasses the leading interpretable GNN baselines with up to 9.98\% interpretation improvement and 16.06\% classification accuracy improvement. Meanwhile, \(\pi\)-GNN pre-trained on graph classification task also achieves the top-tier interpretation performance on node classification task, which further verifies its promising generalization performance among different downstream tasks. Our code and datasets are available at https://anonymous.4open.science/r/PI-GNN-F86C.

Year 2022¶

1. GStarX: Explaining Graph Neural Networks with Structure-Aware Cooperative Games.(1) Shichang Zhang, Yozen Liu, Neil Shah, Yizhou Sun. [paper]

1. Abstract

   Explaining machine learning models is an important and increasingly popular area of research interest. The Shapley value from game theory has been proposed as a prime approach to compute feature importance towards model predictions on images, text, tabular data, and recently graph neural networks (GNNs) on graphs. In this work, we revisit the appropriateness of the Shapley value for GNN explanation, where the task is to identify the most important subgraph and constituent nodes for GNN predictions. We claim that the Shapley value is a non-ideal choice for graph data because it is by definition not structure-aware. We propose a Graph Structure-aware eXplanation (GStarX) method to leverage the critical graph structure information to improve the explanation. Specifically, we define a scoring function based on a new structure-aware value from the cooperative game theory proposed by Hamiache and Navarro (HN). When used to score node importance, the HN value utilizes graph structures to attribute cooperation surplus between neighbor nodes, resembling message passing in GNNs, so that node importance scores reflect not only the node feature importance, but also the node structural roles. We demonstrate that GStarX produces qualitatively more intuitive explanations, and quantitatively improves explanation fidelity over strong baselines on chemical graph property prediction and text graph sentiment classification. Code: https://github.com/ShichangZh/GStarX.

Year 2021¶

1. Learning Theory Can (Sometimes) Explain Generalisation in Graph Neural Networks.(1) Pascal Esser, Leena Chennuru Vankadara, Debarghya Ghoshdastidar. [paper]

1. Abstract

   In recent years, several results in the supervised learning setting suggested that classical statistical learning-theoretic measures, such as VC dimension, do not adequately explain the performance of deep learning models which prompted a slew of work in the infinite-width and iteration regimes. However, there is little theoretical explanation for the success of neural networks beyond the supervised setting. In this paper we argue that, under some distributional assumptions, classical learning-theoretic measures can sufficiently explain generalization for graph neural networks in the transductive setting. In particular, we provide a rigorous analysis of the performance of neural networks in the context of transductive inference, specifically by analysing the generalisation properties of graph convolutional networks for the problem of node classification. While VC-dimension does result in trivial generalisation error bounds in this setting as well, we show that transductive Rademacher complexity can explain the generalisation properties of graph convolutional networks for stochastic block models. We further use the generalisation error bounds based on transductive Rademacher complexity to demonstrate the role of graph convolutions and network architectures in achieving smaller generalisation error and provide insights into when the graph structure can help in learning. The findings of this paper could re-new the interest in studying generalisation in neural networks in terms of learning-theoretic measures, albeit in specific problems.

2. Reinforcement Learning Enhanced Explainer for Graph Neural Networks.(1) Caihua Shan, Yifei Shen, Yao Zhang, Xiang Li, Dongsheng Li. [paper]

1. Abstract

   Graph neural networks (GNNs) have recently emerged as revolutionary technologies for machine learning tasks on graphs. In GNNs, the graph structure is generally incorporated with node representation via the message passing scheme, making the explanation much more challenging. Given a trained GNN model, a GNN explainer aims to identify a most influential subgraph to interpret the prediction of an instance (e.g., a node or a graph), which is essentially a combinatorial optimization problem over graph. The existing works solve this problem by continuous relaxation or search-based heuristics. But they suffer from key issues such as violation of message passing and hand-crafted heuristics, leading to inferior interpretability. To address these issues, we propose a RL-enhanced GNN explainer, RG-Explainer, which consists of three main components: starting point selection, iterative graph generation and stopping criteria learning. RG-Explainer could construct a connected explanatory subgraph by sequentially adding nodes from the boundary of the current generated graph, which is consistent with the message passing scheme. Further, we design an effective seed locator to select the starting point, and learn stopping criteria to generate superior explanations. Extensive experiments on both synthetic and real datasets show that RG-Explainer outperforms state-of-the-art GNN explainers. Moreover, RG-Explainer can be applied in the inductive setting, demonstrating its better generalization ability.

3. Towards Multi-Grained Explainability for Graph Neural Networks.(1) Xiang Wang, Yingxin Wu, An Zhang, Xiangnan He, Tat-Seng Chua2. [paper]

1. Abstract

   When a graph neural network (GNN) made a prediction, one raises question about explainability: “Which fraction of the input graph is most influential to the model’s decision?” Producing an answer requires understanding the model’s inner workings in general and emphasizing the insights on the decision for the instance at hand. Nonetheless, most of current approaches focus only on one aspect: (1) local explainability, which explains each instance independently, thus hardly exhibits the class-wise patterns; and (2) global explainability, which systematizes the globally important patterns, but might be trivial in the local context. This dichotomy limits the flexibility and effectiveness of explainers greatly. A performant paradigm towards multi-grained explainability is until-now lacking and thus a focus of our work. In this work, we exploit the pre-training and fine-tuning idea to develop our explainer and generate multi-grained explanations. Specifically, the pre-training phase accounts for the contrastivity among different classes, so as to highlight the class-wise characteristics from a global view; afterwards, the fine-tuning phase adapts the explanations in the local context. Experiments on both synthetic and real-world datasets show the superiority of our explainer, in terms of AUC on explaining graph classification over the leading baselines. Our codes and datasets are available at https://github.com/Wuyxin/ReFine.

Year 2020¶

1. Parameterized Explainer for Graph Neural Network.(1) Dongsheng Luo, Wei Cheng, Dongkuan Xu, Wenchao Yu, Bo Zong, Haifeng Chen, Xiang Zhang. [paper]

1. Abstract

   Despite recent progress in Graph Neural Networks (GNNs), explaining predictions made by GNNs remains a challenging open problem. The leading method mainly addresses the local explanations (i.e., important subgraph structure and node features) to interpret why a GNN model makes the prediction for a single instance, e.g. a node or a graph. As a result, the explanation generated is painstakingly customized for each instance. The unique explanation interpreting each instance independently is not sufficient to provide a global understanding of the learned GNN model, leading to the lack of generalizability and hindering it from being used in the inductive setting. Besides, as it is designed for explaining a single instance, it is challenging to explain a set of instances naturally (e.g., graphs of a given class). In this study, we address these key challenges and propose PGExplainer, a parameterized explainer for GNNs. PGExplainer adopts a deep neural network to parameterize the generation process of explanations, which enables PGExplainer a natural approach to multi-instance explanations. Compared to the existing work, PGExplainer has a better generalization power and can be utilized in an inductive setting easily. Experiments on both synthetic and real-life datasets show highly competitive performance with up to 24.7\% relative improvement in AUC on explaining graph classification over the leading baseline.

2. PGM-Explainer: Probabilistic Graphical Model Explanations for Graph Neural Networks.(1) Minh Vu, My T. Thai. [paper]

1. Abstract

   In Graph Neural Networks (GNNs), the graph structure is incorporated into the learning of node representations. This complex structure makes explaining GNNs' predictions become much more challenging. In this paper, we propose PGM-Explainer, a Probabilistic Graphical Model (PGM) model-agnostic explainer for GNNs. Given a prediction to be explained, PGM-Explainer identifies crucial graph components and generates an explanation in form of a PGM approximating that prediction. Different from existing explainers for GNNs where the explanations are drawn from a set of linear functions of explained features, PGM-Explainer is able to demonstrate the dependencies of explained features in form of conditional probabilities. Our theoretical analysis shows that the PGM generated by PGM-Explainer includes the Markov-blanket of the target prediction, i.e. including all its statistical information. We also show that the explanation returned by PGM-Explainer contains the same set of independence statements in the perfect map. Our experiments on both synthetic and real-world datasets show that PGM-Explainer achieves better performance than existing explainers in many benchmark tasks.