Despite recent progress in Graph Neural Networks (GNNs), explaining predictions made by GNNs remains a challenging open problem. The leading method independently 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 a 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 explaining multiple instances collectively. Compared to the existing work, PGExplainer has better generalization ability 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.
Explaining the Explainers in Graph Neural Networks: a Comparative Study
University of Trento（特伦托大学）；Fondazione Bruno Kessler（布鲁诺·凯塞勒基金会）；University of Venice（威尼斯大学）；CNRS, Centre de Physique Theorique（国家科学研究中心，理论物理中心）；University of Cambridge（剑桥大学）
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 fe…
Nowadays, deep prediction models, especially graph neural networks, have a majorplace in critical applications. In such context, those models need to be highlyinterpretable or being explainable by humans, and at the societal scope, this understandingmay also be feasible for humans that do not have a strong prior knowledgein models and contexts that need to be explained. In the literature, explainingis a human knowledge transfer process regarding a phenomenon between an explainerand an explainee. We propose EiX-GNN (Eigencentrality eXplainer forGraph Neural Networks) a new powerful method for e…
University of Science and Technology of China（中国科学技术大学）；CCCD Key Lab of Ministry of Culture and Tourism（文化和旅游部CCCD重点实验室）；National University of Singapore（新加坡国立大学）
Explainability is crucial for probing graph neural networks (GNNs), answering questions like "Why the GNN model makes a certain prediction?". Feature attribution is a prevalent technique of highlighting the explanatory subgraph in the input graph, which plausibly leads the GNN model to make its prediction. Various attribution methods exploit gradient-like or attention scores as the attributions of edges, then select the salient edges with top attribution scores as the explanation. However, most of these works make an untenable assumption - the selected edges are linearly independent - thus lea…
Huawei Noah’s Ark Lab（华为诺亚方舟实验室）；Tianjin University（天津大学）；National University of Singapore（新加坡国立大学）
Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over the years. Existing literature mainly focus on selecting a subgraph, through combinatorial optimization, to provide faithful explanations. However, the exponential size of candidate subgraphs limits the applicability of state-of-the-art methods to large-scale GNNs. We enhance on this through a different approach: by proposing a generative structure -- GFlowNets-based GNN Explainer (GFlowExplainer), we turn the optimization problem into a step-by-step generative problem. Our GFlowExpl…
Shanghai Jiao Tong University（上海交通大学）；University of California, Los Angeles（加州大学洛杉矶分校）
This paper presents an unsupervised method to learn a neural network, namely an explainer, to interpret a pre-trained convolutional neural network (CNN), i.e., the explainer uses interpretable visual concepts to explain features in middle conv-layers of a CNN. Given feature maps of a conv-layer of the CNN, the explainer performs like an auto-encoder, which decomposes the feature maps into object-part features. The object-part features are learned to reconstruct CNN features without much loss of information. We can consider the disentangled representations of object parts a paraphrase of CNN fe…
Temporal graph neural networks (TGNNs) have been widely used for modeling time-evolving graph-related tasks due to their ability to capture both graph topology dependency and non-linear temporal dynamic. The explanation of TGNNs is of vital importance for a transparent and trustworthy model. However, the complex topology structure and temporal dependency make explaining TGNN models very challenging. In this paper, we propose a novel explainer framework for TGNN models. Given a time series on a graph to be explained, the framework can identify dominant explanations in the form of a probabilisti…
With the rapid deployment of graph neural networks (GNNs) based techniques into a wide range of applications such as link prediction, node classification, and graph classification the explainability of GNNs has become an indispensable component for predictive and trustworthy decision-making. Thus, it is critical to explain why graph neural network (GNN) makes particular predictions for them to be believed in many applications. Some GNNs explainers have been proposed recently. However, they lack to generate accurate and real explanations. To mitigate these limitations, we propose GANExplainer, …
Georgia Tech（佐治亚理工学院）；Oregon State University（俄勒冈州立大学）
Deep learning's great success motivates many practitioners and students to learn about this exciting technology. However, it is often challenging for beginners to take their first step due to the complexity of understanding and applying deep learning. We present CNN Explainer, an interactive visualization tool designed for non-experts to learn and examine convolutional neural networks (CNNs), a foundational deep learning model architecture. Our tool addresses key challenges that novices face while learning about CNNs, which we identify from interviews with instructors and a survey with past st…
Nanchang University（南昌大学）；Illinois Institute of Technology（伊利诺伊理工大学）；Milwaukee School of Engineering（密尔沃基工程学院）；The Pennsylvania State University（宾夕法尼亚州立大学）
ARM-Explainer -- Explaining and improving graph neural network predictions for the maximum clique problem using node features and association rule mining
School of Computational Science and Engineering（计算科学与工程学院）；DeGroote School of Business（德格罗特商学院）
Deep Learning is a state-of-the-art technique to make inference on extensive or complex data. As a black box model due to their multilayer nonlinear structure, Deep Neural Networks are often criticized to be non-transparent and their predictions not traceable by humans. Furthermore, the models learn from artificial datasets, often with bias or contaminated discriminating content. Through their increased distribution, decision-making algorithms can contribute promoting prejudge and unfairness which is not easy to notice due to lack of transparency. Hence, scientists developed several so-called …
University of California（加利福尼亚大学）；University of Illinois（伊利诺伊大学）；Indian Institute of Technology（印度理工学院）
Graph neural networks (GNNs) find applications in various domains such as computational biology, natural language processing, and computer security. Owing to their popularity, there is an increasing need to explain GNN predictions since GNNs are black-box machine learning models. One way to address this is counterfactual reasoning where the objective is to change the GNN prediction by minimal changes in the input graph. Existing methods for counterfactual explanation of GNNs are limited to instance-specific local reasoning. This approach has two major limitations of not being able to offer glo…
We consider the explanation problem of Graph Neural Networks (GNNs). Most existing GNN explanation methods identify the most important edges or nodes but fail to consider substructures, which are more important for graph data. The only method that considers subgraphs tries to search all possible subgraphs and identify the most significant subgraphs. However, the subgraphs identified may not be recurrent or statistically important. In this work, we propose a novel method, known as MotifExplainer, to explain GNNs by identifying important motifs, recurrent and statistically significant patterns i…
CoDy: Counterfactual Explainers for Dynamic Graphs
Centrum Wiskunde en Informatica, Amsterdam, Netherlands（荷兰阿姆斯特丹数学与信息学研究中心）；University of Amsterdam, Amsterdam, Netherlands（荷兰阿姆斯特丹大学）；Karlsruhe Institute of Technology, Karlsruhe, Germany（德国卡尔斯鲁厄技术大学）
In recent years, considerable progress has been made on improving the interpretability of machine learning models. This is essential, as complex deep learning models with millions of parameters produce state of the art results, but it can be nearly impossible to explain their predictions. While various explainability techniques have achieved impressive results, nearly all of them assume each data instance to be independent and identically distributed (iid). This excludes relational models, such as Statistical Relational Learning (SRL), and the recently popular Graph Neural Networks (GNNs), res…
In this paper, we propose XG-BoT, an explainable deep graph neural network model for botnet node detection. The proposed model comprises a botnet detector and an explainer for automatic forensics. The XG-BoT detector can effectively detect malicious botnet nodes in large-scale networks. Specifically, it utilizes a grouped reversible residual connection with a graph isomorphism network to learn expressive node representations from botnet communication graphs. The explainer, based on the GNNExplainer and saliency map in XG-BoT, can perform automatic network forensics by highlighting suspicious n…
As Graph Neural Networks (GNNs) are increasingly being employed in critical real-world applications, several methods have been proposed in recent literature to explain the predictions of these models. However, there has been little to no work on systematically analyzing the reliability of these methods. Here, we introduce the first-ever theoretical analysis of the reliability of state-of-the-art GNN explanation methods. More specifically, we theoretically analyze the behavior of various state-of-the-art GNN explanation methods with respect to several desirable properties (e.g., faithfulness, s…
UiT the Arctic University of Norway（挪威北极大学）；Sapienza University of Rome（罗马第一大学）；NORCE Norwegian Research Centre（挪威NORCE研究中心）
Recently, subgraphs-enhanced Graph Neural Networks (SGNNs) have been introduced to enhance the expressive power of Graph Neural Networks (GNNs), which was proved to be not higher than the 1-dimensional Weisfeiler-Leman isomorphism test. The new paradigm suggests using subgraphs extracted from the input graph to improve the model's expressiveness, but the additional complexity exacerbates an already challenging problem in GNNs: explaining their predictions. In this work, we adapt PGExplainer, one of the most recent explainers for GNNs, to SGNNs. The proposed explainer accounts for the contribut…
As Graph Neural Networks (GNNs) are widely adopted in digital pathology, there is increasing attention to developing explanation models (explainers) of GNNs for improved transparency in clinical decisions. Existing explainers discover an explanatory subgraph relevant to the prediction. However, such a subgraph is insufficient to reveal all the critical biological substructures for the prediction because the prediction will remain unchanged after removing that subgraph. Hence, an explanatory subgraph should be not only necessary for prediction, but also sufficient to uncover the most predictive…
Graph Neural Networks for Vulnerability Detection: A Counterfactual Explanation
School of Computer Science and Technology, Huazhong University of Science and Technology（华中科技大学计算机科学与技术学院）；School of Electrical Engineering, Computing and Mathematical Sciences, Curtin University（科廷大学电气、计算与数学科学学院）；School of Big Data and Software Engineering, Chongqing University（重庆大学大数据与软件学院）；School of Computer Science and Engineering, University of New South Wales（新南威尔士大学计算机科学与工程学院）
Towards Few-shot Self-explaining Graph Neural Networks
University of Science and Technology of China（中国科学技术大学）；Institute of Artificial Intelligence Hefei Comprehensive National Science Center（合肥综合性国家科学中心人工智能研究院）
At online retail platforms, it is crucial to actively detect the risks of transactions to improve customer experience and minimize financial loss. In this work, we propose xFraud, an explainable fraud transaction prediction framework which is mainly composed of a detector and an explainer. The xFraud detector can effectively and efficiently predict the legitimacy of incoming transactions. Specifically, it utilizes a heterogeneous graph neural network to learn expressive representations from the informative heterogeneously typed entities in the transaction logs. The explainer in xFraud can gene…
The Hong Kong Polytechnic University（香港理工大学）；University of Toronto（多伦多大学）
This paper presents Gem, a model-agnostic approach for providing interpretable explanations for any GNNs on various graph learning tasks. Specifically, we formulate the problem of providing explanations for the decisions of GNNs as a causal learning task. Then we train a causal explanation model equipped with a loss function based on Granger causality. Different from existing explainers for GNNs, Gem explains GNNs on graph-structured data from a causal perspective. It has better generalization ability as it has no requirements on the internal structure of the GNNs or prior knowledge on the gra…
Measuring What Matters: A Unified Evaluation Framework for GNN Explainability
Sapienza University of Rome（罗马萨皮恩扎大学）；Intesa Sanpaolo AI Research（Intesa Sanpaolo人工智能研究）；Anti Financial Crime Digital Hub（反金融犯罪数字中心）；Intesa Sanpaolo Innovation Center（Intesa Sanpaolo创新中心）
Center for Strategic Assessment and Consulting, Academy of Military Science（军事科学院战略评估咨询中心）
Momentum methods, such as heavy ball method~(HB) and Nesterov's accelerated gradient method~(NAG), have been widely used in training neural networks by incorporating the history of gradients into the current updating process. In practice, they often provide improved performance over (stochastic) gradient descent~(GD) with faster convergence. Despite these empirical successes, theoretical understandings of their accelerated convergence rates are still lacking. Recently, some attempts have been made by analyzing the trajectories of gradient-based methods in an over-parameterized regime, where th…
A Completion-Aware Framework for Impactful Counterfactual Explainability in Graph Neural Networks
Institute of Computer Science, Foundation for Research and Technology - Hellas (FORTH)（计算机科学研究所，研究与技术基金会 - 希腊（FORTH））；Computer Science Department, University of Crete（克里特大学计算机科学系）
In this paper, we investigate the degree of explainability of graph neural networks (GNNs). Existing explainers work by finding global/local subgraphs to explain a prediction, but they are applied after a GNN has already been trained. Here, we propose a meta-learning framework for improving the level of explainability of a GNN directly at training time, by steering the optimization procedure towards what we call `interpretable minima'. Our framework (called MATE, MetA-Train to Explain) jointly trains a model to solve the original task, e.g., node classification, and to provide easily processab…
Sapienza University of Rome（罗马大学）；Amazon Web Services AI（亚马逊云服务人工智能部门）
Hypercomplex neural networks have proven to reduce the overall number of parameters while ensuring valuable performance by leveraging the properties of Clifford algebras. Recently, hypercomplex linear layers have been further improved by involving efficient parameterized Kronecker products. In this paper, we define the parameterization of hypercomplex convolutional layers and introduce the family of parameterized hypercomplex neural networks (PHNNs) that are lightweight and efficient large-scale models. Our method grasps the convolution rules and the filter organization directly from data with…
Auto-Configured Explainable Graph Neural Networks for Multi-Site Pollution Prediction
University of Science and Technology of Oran-Mohamed Boudiaf (USTO-MB)（奥兰科技大学-穆罕默德·布迪亚夫）；King Abdullah University of Science and Technology (KAUST)（阿卜杜拉国王科技大学）
