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Heterogeneous graph neural networks (HGNs) are prominent approaches to node classification tasks on heterogeneous graphs. Despite the superior performance, insights about the predictions made from HGNs are obscure to humans. Existing…

Generative Flow Networks (GFlowNets) have emerged as a powerful paradigm for generating composite structures, demonstrating considerable promise across diverse applications. While substantial progress has been made in exploring their…

Graph neural networks (GNNs) have demonstrated a significant boost in prediction performance on graph data. At the same time, the predictions made by these models are often hard to interpret. In that regard, many efforts have been made to…

Graph Neural Networks (GNNs) are a popular approach for predicting graph structured data. As GNNs tightly entangle the input graph into the neural network structure, common explainable AI approaches are not applicable. To a large extent,…

This paper summarizes our endeavors in the past few years in terms of explaining image classifiers, with the aim of including negative results and insights we have gained. The paper starts with describing the explainable neural network…

In recent years, the remarkable success of graph neural networks (GNNs) on graph-structured data has prompted a surge of methods for explaining GNN predictions. However, the state-of-the-art for GNN explainability remains in flux. Different…

Graph Neural Networks (GNNs) have gained considerable traction for their capability to effectively process topological data, yet their interpretability remains a critical concern. Current interpretation methods are dominated by post-hoc…

Tackling the most pressing problems for humanity, such as the climate crisis and the threat of global pandemics, requires accelerating the pace of scientific discovery. While science has traditionally relied on trial and error and even…

Recent years have seen the vast potential of Graph Neural Networks (GNN) in many fields where data is structured as graphs (e.g., chemistry, recommender systems). In particular, GNNs are becoming increasingly popular in the field of…

Graph Neural Networks (GNNs) have become a building block in graph data processing, with wide applications in critical domains. The growing needs to deploy GNNs in high-stakes applications necessitate explainability for users in the…

One significant challenge of exploiting Graph neural networks (GNNs) in real-life scenarios is that they are always treated as black boxes, therefore leading to the requirement of interpretability. To address this, model-level…

Deep learning is emerging as an effective tool in drug discovery, with potential applications in both predictive and generative models. Generative Flow Networks (GFlowNets/GFNs) are a recently introduced method recognized for the ability to…

Graph Neural Networks (GNNs) are a powerful technique for machine learning on graph-structured data, yet they pose challenges in interpretability. Existing GNN explanation methods usually yield technical outputs, such as subgraphs and…

Graph Neural Networks (GNNs) have become a powerful tool for modeling and analyzing data with graph structures. The wide adoption in numerous applications underscores the value of these models. However, the complexity of these methods often…

Graph neural networks (GNNs) have led to major breakthroughs in a variety of domains such as drug discovery, social network analysis, and travel time estimation. However, they lack interpretability which hinders human trust and thereby…

Machine Learning algorithms are increasingly being used in recent years due to their flexibility in model fitting and increased predictive performance. However, the complexity of the models makes them hard for the data analyst to interpret…

Generating explanations for graph neural networks (GNNs) has been studied to understand their behavior in analytical tasks such as graph classification. Existing approaches aim to understand the overall results of GNNs rather than providing…

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…

Graph neural networks (GNNs) are highly effective on a variety of graph-related tasks; however, they lack interpretability and transparency. Current explainability approaches are typically local and treat GNNs as black-boxes. They do not…

Graph neural networks (GNNs) have been utilized to create multi-layer graph models for a number of cybersecurity applications from fraud detection to software vulnerability analysis. Unfortunately, like traditional neural networks, GNNs…