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Graph-based Neural Networks (GNNs) are recent models created for learning representations of nodes (and graphs), which have achieved promising results when detecting patterns that occur in large-scale data relating different entities. Among…

Machine Learning · Computer Science 2021-08-20 Ronald D. R. Pereira , Fabrício Murai

Accurate real-time modeling of multi-body dynamical systems is essential for enabling digital twin applications across industries. While many data-driven approaches aim to learn system dynamics, jointly predicting internal loads and system…

Machine Learning · Computer Science 2025-11-20 Vinay Sharma , Rémi Tanguy Oddon , Pietro Tesini , Jens Ravesloot , Cees Taal , Olga Fink

Predictive Business Process Monitoring (PBPM) aims to forecast future events in ongoing cases based on historical event logs. While Graph Neural Networks (GNNs) are well suited to capture structural dependencies in process data, existing…

Machine Learning · Computer Science 2025-11-25 Fang Wang , Ernesto Damiani

Quantum Graph Neural Networks (QGNNs) offer a promising approach to combining quantum computing with graph-structured data processing. While classical Graph Neural Networks (GNNs) are scalable and robust, existing QGNNs often lack…

Quantum Physics · Physics 2026-01-13 Arthur M. Faria , Ignacio F. Graña , Savvas Varsamopoulos

Graph neural networks (GNNs), has been widely used for supervised learning tasks in graphs reaching state-of-the-art results. However, little work was dedicated to creating unbiased GNNs, i.e., where the classification is uncorrelated with…

Machine Learning · Computer Science 2021-08-20 Uriel Singer , Kira Radinsky

Graph neural network (GNN) models are increasingly being used for the classification of electroencephalography (EEG) data. However, GNN-based diagnosis of neurological disorders, such as Alzheimer's disease (AD), remains a relatively…

Neurons and Cognition · Quantitative Biology 2023-12-21 Dominik Klepl , Fei He , Min Wu , Daniel J. Blackburn , Ptolemaios G. Sarrigiannis

How can we solve semi-supervised node classification in various graphs possibly with noisy features and structures? Graph neural networks (GNNs) have succeeded in many graph mining tasks, but their generalizability to various graph…

Machine Learning · Computer Science 2023-06-19 Jaemin Yoo , Meng-Chieh Lee , Shubhranshu Shekhar , Christos Faloutsos

Graph prediction problems prevail in data analysis and machine learning. The inverse prediction problem, namely to infer input data from given output labels, is of emerging interest in various applications. In this work, we develop…

Machine Learning · Statistics 2022-11-22 Chen Xu , Xiuyuan Cheng , Yao Xie

Biomarker discovery from high-throughput transcriptomic data is crucial for advancing precision medicine. However, existing methods often neglect gene-gene regulatory relationships and lack stability across datasets, leading to conflation…

Quantitative Methods · Quantitative Biology 2025-11-18 Chaowang Lan , Jingxin Wu , Yulong Yuan , Chuxun Liu , Huangyi Kang , Caihua Liu

This paper pertains to an emerging machine learning paradigm: learning higher-order functions, i.e. functions whose inputs are functions themselves, $\textit{particularly when these inputs are Neural Networks (NNs)}$. With the growing…

Machine Learning · Computer Science 2024-10-31 Ioannis Kalogeropoulos , Giorgos Bouritsas , Yannis Panagakis

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…

Machine Learning · Computer Science 2023-03-28 Haoyu He , Yuede Ji , H. Howie Huang

Ensuring electricity grid reliability becomes increasingly challenging with the shift towards renewable energy and declining conventional capacities. Distribution System Operators (DSOs) aim to achieve grid reliability by verifying the n-1…

Machine Learning · Computer Science 2026-02-19 Charlotte Cambier van Nooten , Tom van de Poll , Sonja Füllhase , Jacco Heres , Tom Heskes , Yuliya Shapovalova

Geometric deep learning enables the encoding of physical symmetries in modeling 3D objects. Despite rapid progress in encoding 3D symmetries into Graph Neural Networks (GNNs), a comprehensive evaluation of the expressiveness of these…

Machine Learning · Computer Science 2023-04-12 Weitao Du , Yuanqi Du , Limei Wang , Dieqiao Feng , Guifeng Wang , Shuiwang Ji , Carla Gomes , Zhi-Ming Ma

Noninvasive medical neuroimaging has yielded many discoveries about the brain connectivity. Several substantial techniques mapping morphological, structural and functional brain connectivities were developed to create a comprehensive road…

Machine Learning · Computer Science 2022-09-30 Alaa Bessadok , Mohamed Ali Mahjoub , Islem Rekik

The increasing penetration of renewable energy sources introduces significant variability and uncertainty in modern power systems, making accurate state prediction critical for reliable grid operation. Conventional forecasting methods often…

Machine Learning · Computer Science 2025-04-01 Dhruv Suri , Mohak Mangal

The optimization of multi-user multi-input multi-output (MU-MIMO) precoders is a widely recognized challenging problem. Existing work has demonstrated the potential of graph neural networks (GNNs) in learning precoding policies. However,…

Signal Processing · Electrical Eng. & Systems 2025-03-11 Lin Zhang , Shengqian Han , Chenyang Yang

With a long history of traditional Graph Anomaly Detection (GAD) algorithms and recently popular Graph Neural Networks (GNNs), it is still not clear (1) how they perform under a standard comprehensive setting, (2) whether GNNs can…

Machine Learning · Computer Science 2023-11-17 Jianheng Tang , Fengrui Hua , Ziqi Gao , Peilin Zhao , Jia Li

This work-in-progress paper introduces a prototype for a novel Graph Neural Network (GNN) based approach to estimate hidden states in cyber attack simulations. Utilizing the Meta Attack Language (MAL) in conjunction with Relational Dynamic…

Cryptography and Security · Computer Science 2023-12-12 Pontus Johnson , Mathias Ekstedt

The adversarial robustness of Graph Neural Networks (GNNs) has been questioned due to the false sense of security uncovered by strong adaptive attacks despite the existence of numerous defenses. In this work, we delve into the robustness…

Machine Learning · Computer Science 2024-11-12 Zhichao Hou , Ruiqi Feng , Tyler Derr , Xiaorui Liu

Graph neural networks (GNNs) have been applied into a variety of graph tasks. Most existing work of GNNs is based on the assumption that the given graph data is optimal, while it is inevitable that there exists missing or incomplete edges…

Machine Learning · Computer Science 2022-05-13 Qianggang Ding , Deheng Ye , Tingyang Xu , Peilin Zhao
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