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Graph neural network (GNN) explainers identify the important subgraph that ensures the prediction for a given graph. Until now, almost all GNN explainers are based on association, which is prone to spurious correlations. We propose {\name},…

Graph Neural Networks (GNNs) have emerged as the predominant approach for learning over graph-structured data. However, most GNNs operate as black-box models and require post-hoc explanations, which may not suffice in high-stakes scenarios…

By interpreting a traffic scene as a graph of interacting vehicles, we gain a flexible abstract representation which allows us to apply Graph Neural Network (GNN) models for traffic prediction. These naturally take interaction between…

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…

Graph Convolutional Network (GCN) has been widely applied in transportation demand prediction due to its excellent ability to capture non-Euclidean spatial dependence among station-level or regional transportation demands. However, in most…

Graph Neural Networks (GNNs) have become the leading paradigm for learning on (static) graph-structured data. However, many real-world systems are dynamic in nature, since the graph and node/edge attributes change over time. In recent…

Graph Neural Networks (GNNs) have achieved impressive performance in graph-related tasks. However, they suffer from poor generalization on out-of-distribution (OOD) data, as they tend to learn spurious correlations. Such correlations…

Graph Neural Networks (GNNs) have emerged as powerful tools for predicting outcomes in graph-structured data. However, a notable limitation of GNNs is their inability to provide robust uncertainty estimates, which undermines their…

Accurate prediction of wind power is essential for the grid integration of this intermittent renewable source and aiding grid planners in forecasting available wind capacity. Spatial differences lead to discrepancies in climatological data…

Fake news on social media is increasingly regarded as one of the most concerning issues. Low cost, simple accessibility via social platforms, and a plethora of low-budget online news sources are some of the factors that contribute to the…

Graph Neural Networks (GNNs) aim to extend deep learning techniques to graph data and have achieved significant progress in graph analysis tasks (e.g., node classification) in recent years. However, similar to other deep neural networks…

Conformal prediction for graph neural networks (GNNs) offers a promising framework for quantifying uncertainty, enhancing GNN reliability in high-stakes applications. However, existing methods predominantly focus on static graphs,…

Although graph neural networks (GNNs) have made great progress recently on learning from graph-structured data in practice, their theoretical guarantee on generalizability remains elusive in the literature. In this paper, we provide a…

Graph Neural Networks (GNNs) are emerging as powerful tools for nonlinear Model Order Reduction (MOR) of time-dependent parameterized Partial Differential Equations (PDEs). However, existing methodologies struggle to combine geometric…

Graph neural networks (GNNs) have been shown to be astonishingly capable models for molecular property prediction, particularly as surrogates for expensive density functional theory calculations of relaxed energy for novel material…

As the climate changes, the severity of wildland fires is expected to worsen. Models that accurately capture fire propagation dynamics greatly help efforts for understanding, responding to and mitigating the damages caused by these fires.…

This paper derives statistical guarantees for the performance of Graph Neural Networks (GNNs) in link prediction tasks on graphs generated by a graphon. We propose a linear GNN architecture (LG-GNN) that produces consistent estimators for…

Predictive thermodynamic models are crucial for the early stages of product and process design. In this paper the performance of Graph Neural Networks (GNNs) embedded into a relatively simple excess Gibbs energy model, the extended Margules…

Detecting extreme events in large datasets is a major challenge in climate science research. Current algorithms for extreme event detection are build upon human expertise in defining events based on subjective thresholds of relevant…

Deep-learning-based surrogate models provide an efficient complement to numerical simulations for subsurface flow problems such as CO$_2$ geological storage. Accurately capturing the impact of faults on CO$_2$ plume migration remains a…