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Graph Neural Networks (GNNs) extend the success of neural networks to graph-structured data by accounting for their intrinsic geometry. While extensive research has been done on developing GNN models with superior performance according to a…

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over recent years. Instance-level GNN explanation aims to discover critical input elements, like nodes or edges, that the target GNN…

Machine Learning · Computer Science 2022-12-20 Tianxiang Zhao , Dongsheng Luo , Xiang Zhang , Suhang Wang

The increasingly wide use of deep machine learning techniques in computational mechanics has significantly accelerated simulations of problems that were considered unapproachable just a few years ago. However, in critical applications such…

Machine Learning · Computer Science 2026-04-01 David Gonzalez , Alba Muixi , Beatriz Moya , Elias Cueto

When employing deep neural networks (DNNs) for semantic segmentation in safety-critical applications like automotive perception or medical imaging, it is important to estimate their performance at runtime, e.g. via uncertainty estimates or…

Computer Vision and Pattern Recognition · Computer Science 2024-09-18 Edgar Heinert , Stephan Tilgner , Timo Palm , Matthias Rottmann

Graph neural networks (GNNs) are effective machine learning models for many graph-related applications. Despite their empirical success, many research efforts focus on the theoretical limitations of GNNs, i.e., the GNNs expressive power.…

Machine Learning · Computer Science 2025-01-13 Bingxu Zhang , Changjun Fan , Shixuan Liu , Kuihua Huang , Xiang Zhao , Jincai Huang , Zhong Liu

The Population-Based Structural Health Monitoring (PBSHM) paradigm has recently emerged as a promising approach to enhance data-driven assessment of engineering structures by facilitating transfer learning between structures with some…

Computational Engineering, Finance, and Science · Computer Science 2025-09-17 Xudong Jian , Yutong Xia , Gregory Duthé , Kiran Bacsa , Wei Liu , Eleni Chatzi

Unsupervised/self-supervised graph neural networks (GNN) are vulnerable to inherent randomness in the input graph data which greatly affects the performance of the model in downstream tasks. In this paper, we alleviate the interference of…

Machine Learning · Computer Science 2023-08-14 Yifei Wang , Yupan Wang , Zeyu Zhang , Song Yang , Kaiqi Zhao , Jiamou Liu

For the problem of inferring a Gaussian graphical model (GGM), this work explores the application of a recent approach from the multiple testing literature for graph inference. The main idea of the method by Rebafka et al. (2022) is to…

Methodology · Statistics 2024-03-01 Valentin Kilian , Tabea Rebafka , Fanny Villers

Network data can be conveniently modeled as a graph signal, where data values are assigned to the nodes of a graph describing the underlying network topology. Successful learning from network data requires methods that effectively exploit…

Signal Processing · Electrical Eng. & Systems 2020-10-22 Samuel Pfrommer , Fernando Gama , Alejandro Ribeiro

In this work, we study the influence of domain-specific characteristics when defining a meaningful notion of predictive uncertainty on graph data. Previously, the so-called Graph Posterior Network (GPN) model has been proposed to quantify…

Machine Learning · Computer Science 2024-09-09 Clemens Damke , Eyke Hüllermeier

Graph generation is a crucial task in many fields, including network science and bioinformatics, as it enables the creation of synthetic graphs that mimic the properties of real-world networks for various applications. Graph Generative…

Machine Learning · Computer Science 2026-01-21 Salvatore Romano , Marco Grassia , Giuseppe Mangioni

We focus on the problem of efficient sampling and learning of probability densities by incorporating symmetries in probabilistic models. We first introduce Equivariant Stein Variational Gradient Descent algorithm -- an equivariant sampling…

Machine Learning · Computer Science 2021-07-30 Priyank Jaini , Lars Holdijk , Max Welling

Graph Neural Networks (GNNs) have shown satisfying performance in various graph analytical problems. Hence, they have become the \emph{de facto} solution in a variety of decision-making scenarios. However, GNNs could yield biased results…

Machine Learning · Computer Science 2022-06-27 Yushun Dong , Song Wang , Yu Wang , Tyler Derr , Jundong Li

State estimation is highly critical for accurately observing the dynamic behavior of the power grids and minimizing risks from cyber threats. However, existing state estimation methods encounter challenges in accurately capturing power…

Systems and Control · Electrical Eng. & Systems 2024-01-01 Quang-Ha Ngo , Bang L. H. Nguyen , Tuyen V. Vu , Jianhua Zhang , Tuan Ngo

In many real-world problems, there is a limited set of training data, but an abundance of unlabeled data. We propose a new method, Generative Posterior Networks (GPNs), that uses unlabeled data to estimate epistemic uncertainty in…

Machine Learning · Computer Science 2024-01-01 Melrose Roderick , Felix Berkenkamp , Fatemeh Sheikholeslami , Zico Kolter

The recent introduction of Graph Neural Networks (GNNs) and their growing popularity in the past few years has enabled the application of deep learning algorithms to non-Euclidean, graph-structured data. GNNs have achieved state-of-the-art…

Machine Learning · Computer Science 2020-10-27 Tuomas P. Oikarinen , Daniel C. Hannah , Sohrob Kazerounian

Graph neural networks (GNNs) have shown promise in addressing graph-related problems, including node classification. However, conventional GNNs assume an even distribution of data across classes, which is often not the case in real-world…

Machine Learning · Computer Science 2023-10-16 Zirui Liang , Yuntao Li , Tianjin Huang , Akrati Saxena , Yulong Pei , Mykola Pechenizkiy

With the widespread use of Graph Neural Networks (GNNs) for representation learning from network data, the fairness of GNN models has raised great attention lately. Fair GNNs aim to ensure that node representations can be accurately…

Social and Information Networks · Computer Science 2024-10-23 Guixian Zhang , Guan Yuan , Debo Cheng , Lin Liu , Jiuyong Li , Shichao Zhang

Graph Neural Networks (GNNs) have advanced significantly in handling graph-structured data, but a comprehensive framework for evaluating explainability remains lacking. Existing evaluation frameworks primarily involve post-hoc explanations,…

Machine Learning · Computer Science 2026-05-18 Magdalena Proszewska , N. Siddharth

Graph neural networks (GNNs) are becoming increasingly popular for EEG-based depression detection. However, previous GNN-based methods fail to sufficiently consider the characteristics of depression, thus limiting their performance.…

Signal Processing · Electrical Eng. & Systems 2026-05-11 Yiye Wang , Wenming Zheng , Yang Li , Hao Yang