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This article investigates the ability of graph neural networks (GNNs) to identify risky conditions in a power grid over the subsequent few hours, without explicit, high-resolution information regarding future generator on/off status (grid…

This article proposes a Graph Neural Network (GNN) approach to estimate nonstabilizerness in quantum circuits, measured by the stabilizer R\'enyi entropy (SRE). Nonstabilizerness is a fundamental resource for quantum advantage, and…

Massive deployment of Graph Neural Networks (GNNs) in high-stake applications generates a strong demand for explanations that are robust to noise and align well with human intuition. Most existing methods generate explanations by…

Quantifying predictive uncertainty of neural networks has recently attracted increasing attention. In this work, we focus on measuring uncertainty of graph neural networks (GNNs) for the task of node classification. Most existing GNNs model…

The graph neural network (GNN) has demonstrated its superior performance in various applications. The working mechanism behind it, however, remains mysterious. GNN models are designed to learn effective representations for graph-structured…

Detecting vulnerabilities in source code is a critical task for software security assurance. Graph Neural Network (GNN) machine learning can be a promising approach by modeling source code as graphs. Early approaches treated code elements…

The robustness of synchronization is typically characterized by scalar, per-node stability indices whose dependence on topology is studied via network science or graph neural networks (GNNs). We propose a novel upstream task, learning…

Narrowing the performance gap between optimal and feasible detection in inter-symbol interference (ISI) channels, this paper proposes to use graph neural networks (GNNs) for detection that can also be used to perform joint detection and…

Recent years have seen a boom in computational approaches to music analysis, yet each one is typically tailored to a specific analytical domain. In this work, we introduce AnalysisGNN, a novel graph neural network framework that leverages a…

Graph neural networks (GNNs) excel in graph representation learning by integrating graph structure and node features. Existing GNNs, unfortunately, fail to account for the uncertainty of class probabilities that vary with the depth of the…

Existing techniques for certifying the robustness of models for discrete data either work only for a small class of models or are general at the expense of efficiency or tightness. Moreover, they do not account for sparsity in the input…

Recent works show that Graph Neural Networks (GNNs) are highly non-robust with respect to adversarial attacks on both the graph structure and the node attributes, making their outcomes unreliable. We propose the first method for certifiable…

Graph Neural Networks (GNNs) have established themselves as a key component in addressing diverse graph-based tasks. Despite their notable successes, GNNs remain susceptible to input perturbations in the form of adversarial attacks. This…

This paper explores different strategies for enhancing sensitivity to new heavy resonances that decay into two or more Higgs bosons. This is achieved using two neural network architectures: an unsupervised autoencoder for anomaly detection…

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…

We present GERN, a novel scalable framework for training GNNs in node classification tasks, based on effective resistance, a standard tool in spectral graph theory. Our method progressively refines the GNN weights on a sequence of random…

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…

Recently, heterogeneous Graph Neural Networks (GNNs) have become a de facto model for analyzing HGs, while most of them rely on a relative large number of labeled data. In this work, we investigate Contrastive Learning (CL), a key component…

Graph Neural Networks (GNNs) have demonstrated exceptional efficacy in relational learning tasks, including node classification and link prediction. However, their application raises significant fairness concerns, as GNNs can perpetuate and…

Battery energy storage systems (BESS) have become increasingly vital in three-phase unbalanced distribution grids for maintaining voltage stability and enabling optimal dispatch. However, existing deep learning approaches often lack…