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We propose an end-to-end framework based on a Graph Neural Network (GNN) to balance the power flows in energy grids. The balancing is framed as a supervised vertex regression task, where the GNN is trained to predict the current and power…

Machine Learning · Computer Science 2022-08-15 Jonas Berg Hansen , Stian Normann Anfinsen , Filippo Maria Bianchi

Graph Neural Networks (GNNs) excel in graph-based learning tasks, but their complex, non-linear operations often render them as opaque "black boxes". This opacity hinders user trust, complicates debugging, bias detection, and adoption in…

Artificial Intelligence · Computer Science 2025-11-18 TC Singh , Sougata Mukherjea

The mechanism of message passing in graph neural networks (GNNs) is still mysterious. Apart from convolutional neural networks, no theoretical origin for GNNs has been proposed. To our surprise, message passing can be best understood in…

Machine Learning · Computer Science 2021-04-16 Xue Li , Yuanzhi Cheng

Graph Convolutional Network (GCN) with the powerful capacity to explore graph-structural data has gained noticeable success in recent years. Nonetheless, most of the existing GCN-based models suffer from the notorious over-smoothing issue,…

Machine Learning · Computer Science 2023-04-17 Zhaoliang Chen , Zhihao Wu , Zhenghong Lin , Shiping Wang , Claudia Plant , Wenzhong Guo

3D models are widely used in various industries, and mesh data has become an indispensable part of 3D modeling because of its unique advantages. Mesh data can provide an intuitive and practical expression of rich 3D information. However,…

Computer Vision and Pattern Recognition · Computer Science 2025-03-05 Ling Gao , Zhenyu Shu , Shiqing Xin

Geometric deep learning has made great strides towards generalizing the design of structure-aware neural networks from traditional domains to non-Euclidean ones, giving rise to graph neural networks (GNN) that can be applied to…

Machine Learning · Statistics 2024-10-28 Frederik Wenkel , Yimeng Min , Matthew Hirn , Michael Perlmutter , Guy Wolf

Recent progress in Graph Neural Networks (GNNs) has greatly enhanced the ability to model complex molecular structures for predicting properties. Nevertheless, molecular data encompasses more than just graph structures, including textual…

Machine Learning · Computer Science 2024-06-04 Junjie Xu , Zongyu Wu , Minhua Lin , Xiang Zhang , Suhang Wang

Among the many variants of graph neural network (GNN) architectures capable of modeling data with cross-instance relations, an important subclass involves layers designed such that the forward pass iteratively reduces a graph-regularized…

Machine Learning · Computer Science 2025-03-03 Haitian Jiang , Renjie Liu , Zengfeng Huang , Yichuan Wang , Xiao Yan , Zhenkun Cai , Minjie Wang , David Wipf

Graph representation learning is to learn universal node representations that preserve both node attributes and structural information. The derived node representations can be used to serve various downstream tasks, such as node…

Machine Learning · Computer Science 2020-11-16 Yuxiang Ren , Bo Liu , Chao Huang , Peng Dai , Liefeng Bo , Jiawei Zhang

Various Graph Neural Networks (GNNs) have been successful in analyzing data in non-Euclidean spaces, however, they have limitations such as oversmoothing, i.e., information becomes excessively averaged as the number of hidden layers…

Machine Learning · Computer Science 2024-01-23 Jaeyoon Sim , Sooyeon Jeon , InJun Choi , Guorong Wu , Won Hwa Kim

Subgraph recognition aims at discovering a compressed substructure of a graph that is most informative to the graph property. It can be formulated by optimizing Graph Information Bottleneck (GIB) with a mutual information estimator.…

Machine Learning · Computer Science 2022-04-05 Junchi Yu , Jie Cao , Ran He

In this paper we cast neural networks defined on graphs as message-passing neural networks (MPNNs) in order to study the distinguishing power of different classes of such models. We are interested in whether certain architectures are able…

Machine Learning · Computer Science 2020-04-07 Floris Geerts , Filip Mazowiecki , Guillermo A. Pérez

Brain surface analysis is essential to neuroscience, however, the complex geometry of the brain cortex hinders computational methods for this task. The difficulty arises from a discrepancy between 3D imaging data, which is represented in…

Computer Vision and Pattern Recognition · Computer Science 2019-11-25 Karthik Gopinath , Christian Desrosiers , Herve Lombaert

In this paper, we propose a proof-of-concept Graph Neural Network model that can successfully predict network flow-level traffic (NetFlow) by accurately modelling the graph structure and the connection features. We use sliding-windows to…

Networking and Internet Architecture · Computer Science 2026-04-24 Georgios Anyfantis , Pere Barlet-Ros

In this work, we aim to classify nodes of unstructured peer-to-peer networks with communication uncertainty, such as users of decentralized social networks. Graph Neural Networks (GNNs) are known to improve the accuracy of simple…

Machine Learning · Computer Science 2022-03-17 Emmanouil Krasanakis , Symeon Papadopoulos , Ioannis Kompatsiaris

Graph Neural Networks (GNNs) have emerged as the leading paradigm for learning over graph-structured data. However, their performance is limited by issues inherent to graph topology, most notably oversquashing and oversmoothing. Recent…

Machine Learning · Computer Science 2025-08-29 Hugo Attali , Thomas Papastergiou , Nathalie Pernelle , Fragkiskos D. Malliaros

Various graph contrastive learning models have been proposed to improve the performance of learning tasks on graph datasets in recent years. While effective and prevalent, these models are usually carefully customized. In particular,…

Machine Learning · Computer Science 2021-11-01 Dongkuan Xu , Wei Cheng , Dongsheng Luo , Haifeng Chen , Xiang Zhang

In recent years, there has been a significant amount of research focused on expanding the expressivity of Graph Neural Networks (GNNs) beyond the Weisfeiler-Lehman (1-WL) framework. While many of these studies have yielded advancements in…

Machine Learning · Computer Science 2024-03-12 Shouheng Li , Dongwoo Kim , Qing Wang

Graph neural networks (GNNs) have found extensive applications in learning from graph data. However, real-world graphs often possess diverse structures and comprise nodes and edges of varying types. To bolster the generalization capacity of…

Machine Learning · Computer Science 2023-10-18 Haotao Wang , Ziyu Jiang , Yuning You , Yan Han , Gaowen Liu , Jayanth Srinivasa , Ramana Rao Kompella , Zhangyang Wang

Code Language Models (codeLMs) and Graph Neural Networks (GNNs) are widely used in code vulnerability detection. However, GNNs often rely on aggregating information from adjacent nodes, limiting structural information propagation across…

Cryptography and Security · Computer Science 2025-03-24 Ruitong Liu , Yanbin Wang , Haitao Xu , Jianguo Sun , Fan Zhang , Peiyue Li , Zhenhao Guo