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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…
To enhance the reliability and credibility of graph neural networks (GNNs) and improve the transparency of their decision logic, a new field of explainability of GNNs (XGNN) has emerged. However, two major limitations severely degrade the…
Graph-based Retrieval-Augmented Generation (GraphRAG) extends traditional RAG by using knowledge graphs (KGs) to give large language models (LLMs) a structured, semantically coherent context, yielding more grounded answers. However,…
We consider the problem of molecular graph generation using deep models. While graphs are discrete, most existing methods use continuous latent variables, resulting in inaccurate modeling of discrete graph structures. In this work, we…
Hypergraph neural networks are a class of powerful models that leverage the message passing paradigm to learn over hypergraphs, a generalization of graphs well-suited to describing relational data with higher-order interactions. However,…
Graph Neural Networks (GNNs) have shown remarkable success across various scientific fields, yet their adoption in critical decision-making is often hindered by a lack of interpretability. Recently, intrinsically interpretable GNNs have…
We introduce DeCaFlow, a deconfounding causal generative model. Training once per dataset using just observational data and the underlying causal graph, DeCaFlow enables accurate causal inference on continuous variables under the presence…
Graph Neural Networks (GNNs) achieve strong performance on node classification tasks but remain difficult to interpret, particularly with respect to which input features drive their predictions. Existing global GNN explainers operate at the…
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…
This paper introduces a generalization of Convolutional Neural Networks (CNNs) to graphs with irregular linkage structures, especially heterogeneous graphs with typed nodes and schemas. We propose a novel spatial convolution operation to…
Causal discovery aims to uncover cause-and-effect relationships encoded in causal graphs by leveraging observational, interventional data, or their combination. The majority of existing causal discovery methods are developed assuming…
This paper investigates the integration of graph neural networks (GNNs) with Qualitative Explainable Graphs (QXGs) for scene understanding in automated driving. Scene understanding is the basis for any further reactive or proactive…
Inferring missing links or detecting spurious ones based on observed graphs, known as link prediction, is a long-standing challenge in graph data analysis. With the recent advances in deep learning, graph neural networks have been used for…
Representation learning over graph structured data has been mostly studied in static graph settings while efforts for modeling dynamic graphs are still scant. In this paper, we develop a novel hierarchical variational model that introduces…
Formation mechanisms are fundamental to the study of complex networks, but learning them from observations is challenging. In real-world domains, one often has access only to the final constructed graph, instead of the full construction…
Graph Neural Networks (GNNs) have become essential tools for analyzing graph-structured data in domains such as drug discovery and financial analysis, leading to growing demands for model transparency. Recent advances in explainable GNNs…
Similarity search is a fundamental task for exploiting information in various applications dealing with graph data, such as citation networks or knowledge graphs. While this task has been intensively approached from heuristics to graph…
This study presents a novel framework for counterfactual user behavior forecasting that combines structural causal models with transformer-based generative artificial intelligence. To model fictitious situations, the method creates causal…
Ordinal variables, such as on the Likert scale, are common in applied research. Yet, existing methods for causal inference tend to target nominal or continuous data. When applied to ordinal data, this fails to account for the inherent…
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…