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Graph convolutional networks (GCNs) enable end-to-end learning on graph structured data. However, many works assume a given graph structure. When the input graph is noisy or unavailable, one approach is to construct or learn a latent graph…

Computer Vision and Pattern Recognition · Computer Science 2023-07-19 Avishkar Saha , Oscar Mendez , Chris Russell , Richard Bowden

Forecasting electricity demand is increasingly challenging as energy systems become more decentralized and intertwined with renewable sources. Graph Neural Networks (GNNs) have recently emerged as a powerful paradigm to model spatial…

Machine Learning · Computer Science 2025-11-04 Eloi Campagne , Yvenn Amara-Ouali , Yannig Goude , Itai Zehavi , Argyris Kalogeratos

This paper proposes a new Quantum Spatial Graph Convolutional Neural Network (QSGCNN) model that can directly learn a classification function for graphs of arbitrary sizes. Unlike state-of-the-art Graph Convolutional Neural Network (GCNN)…

Machine Learning · Computer Science 2023-04-04 Lu Bai , Yuhang Jiao , Luca Rossi , Lixin Cui , Jian Cheng , Edwin R. Hancock

We introduce Attention Graphs, a new tool for mechanistic interpretability of Graph Neural Networks (GNNs) and Graph Transformers based on the mathematical equivalence between message passing in GNNs and the self-attention mechanism in…

Machine Learning · Computer Science 2025-02-26 Batu El , Deepro Choudhury , Pietro Liò , Chaitanya K. Joshi

Graph Neural Networks (GNNs) set the state-of-the-art in representation learning for graph-structured data. They are used in many domains, from online social networks to complex molecules. Most GNNs leverage the message-passing paradigm and…

Machine Learning · Computer Science 2025-03-06 Tuğrul Hasan Karabulut , İnci M. Baytaş

Graph neural networks (GNNs) have attracted much attention because of their excellent performance on tasks such as node classification. However, there is inadequate understanding on how and why GNNs work, especially for node representation…

Machine Learning · Computer Science 2020-06-09 Guoji Fu , Yifan Hou , Jian Zhang , Kaili Ma , Barakeel Fanseu Kamhoua , James Cheng

Graph Transformers (GTs) show considerable potential in graph representation learning. The architecture of GTs typically integrates Graph Neural Networks (GNNs) with global attention mechanisms either in parallel or as a precursor to…

Machine Learning · Computer Science 2026-02-04 Gang Wu , Zhengwei Wang

Can neural networks learn to compare graphs without feature engineering? In this paper, we show that it is possible to learn representations for graph similarity with neither domain knowledge nor supervision (i.e.\ feature engineering or…

Machine Learning · Computer Science 2019-04-23 Rami Al-Rfou , Dustin Zelle , Bryan Perozzi

Heterophilic Graph Neural Networks (HGNNs) have shown promising results for semi-supervised learning tasks on graphs. Notably, most real-world heterophilic graphs are composed of a mixture of nodes with different neighbor patterns,…

Machine Learning · Computer Science 2025-02-26 Jinluan Yang , Zhengyu Chen , Teng Xiao , Wenqiao Zhang , Yong Lin , Kun Kuang

Graph Neural Networks (GNNs) have been highly successful for the node classification task. GNNs typically assume graphs are homophilic, i.e. neighboring nodes are likely to belong to the same class. However, a number of real-world graphs…

Machine Learning · Computer Science 2024-09-20 Yurui Lai , Taiyan Zhang , Rui Fan

Graph neural networks have shown significant success in the field of graph representation learning. Graph convolutions perform neighborhood aggregation and represent one of the most important graph operations. Nevertheless, one layer of…

Machine Learning · Computer Science 2020-07-21 Meng Liu , Hongyang Gao , Shuiwang Ji

Our capacity to learn representations from data is related to our ability to design filters that can leverage their coupling with the underlying domain. Graph filters are one such tool for network data and have been used in a myriad of…

Signal Processing · Electrical Eng. & Systems 2022-03-16 Bishwadeep Das , Elvin Isufi

Graph neural networks (GNNs) are typically applied to static graphs that are assumed to be known upfront. This static input structure is often informed purely by insight of the machine learning practitioner, and might not be optimal for the…

We propose a graph spectrum-based Gaussian process for prediction of signals defined on nodes of the graph. The model is designed to capture various graph signal structures through a highly adaptive kernel that incorporates a flexible…

Machine Learning · Computer Science 2020-10-29 Yin-Cong Zhi , Yin Cheng Ng , Xiaowen Dong

Recently popularized graph neural networks achieve the state-of-the-art accuracy on a number of standard benchmark datasets for graph-based semi-supervised learning, improving significantly over existing approaches. These architectures…

Machine Learning · Statistics 2018-03-13 Kiran K. Thekumparampil , Chong Wang , Sewoong Oh , Li-Jia Li

Whilst spectral Graph Neural Networks (GNNs) are theoretically well-founded in the spectral domain, their practical reliance on polynomial approximation implies a profound linkage to the spatial domain. As previous studies rarely examine…

Machine Learning · Computer Science 2024-09-17 Jingwei Guo , Kaizhu Huang , Xinping Yi , Zixian Su , Rui Zhang

Graph neural networks (GNNs) rely on graph convolutions to extract local features from network data. These graph convolutions combine information from adjacent nodes using coefficients that are shared across all nodes. Since these…

Machine Learning · Computer Science 2020-10-22 Luana Ruiz , Luiz F. O. Chamon , Alejandro Ribeiro

Graph neural networks (GNNs) are prominent for their effectiveness in processing graph data for semi-supervised node classification tasks. Most works of GNNs assume that the observed structure accurately represents the underlying node…

Machine Learning · Computer Science 2024-11-08 Shuangjie Li , Jiangqing Song , Baoming Zhang , Gaoli Ruan , Junyuan Xie , Chongjun Wang

Graph neural networks (GNN) are powerful models for many graph-structured tasks. Existing models often assume that the complete structure of the graph is available during training. In practice, however, graph-structured data is usually…

Machine Learning · Computer Science 2022-03-29 Chen Wang , Yuheng Qiu , Dasong Gao , Sebastian Scherer

We propose a Graph Neural Network with greater expressive power than commonly used GNNs - not constrained to only differentiate between graphs that Weisfeiler-Lehman test recognizes to be non-isomorphic. We use a graph attention network…

Machine Learning · Computer Science 2020-04-14 Stanisław Purgał