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Graph Neural Network (GNN) has been demonstrated its effectiveness in dealing with non-Euclidean structural data. Both spatial-based and spectral-based GNNs are relying on adjacency matrix to guide message passing among neighbors during…

Machine Learning · Computer Science 2021-06-09 Yang Hu , Haoxuan You , Zhecan Wang , Zhicheng Wang , Erjin Zhou , Yue Gao

The graph structure is a commonly used data storage mode, and it turns out that the low-dimensional embedded representation of nodes in the graph is extremely useful in various typical tasks, such as node classification, link prediction ,…

Social and Information Networks · Computer Science 2020-08-03 Xing Li , Wei Wei , Xiangnan Feng , Xue Liu , Zhiming Zheng

Graph Neural Networks (GNN) have recently gained popularity in the forecasting domain due to their ability to model complex spatial and temporal patterns in tasks such as traffic forecasting and region-based demand forecasting. Most of…

Machine Learning · Computer Science 2023-12-08 Abishek Sriramulu , Nicolas Fourrier , Christoph Bergmeir

Graph data often exhibits complex geometric heterogeneity, where structures with varying local curvature, such as tree-like hierarchies and dense communities, coexist within a single network. Existing geometric GNNs, which embed graphs into…

Machine Learning · Computer Science 2026-01-21 Xudong Wang , Chris Ding , Tongxin Li , Jicong Fan

Pre-training Graph Neural Networks (GNN) via self-supervised contrastive learning has recently drawn lots of attention. However, most existing works focus on node-level contrastive learning, which cannot capture global graph structure. The…

Machine Learning · Computer Science 2021-04-19 Shichang Zhang , Ziniu Hu , Arjun Subramonian , Yizhou Sun

Graph Neural Networks (GNNs) are powerful techniques in representation learning for graphs and have been increasingly deployed in a multitude of different applications that involve node- and graph-wise tasks. Most existing studies solve…

Artificial Intelligence · Computer Science 2022-03-21 Zhiqiang Zhong , Cheng-Te Li , Jun Pang

Graph neural networks (GNNs) are widely used as surrogates for costly experiments and first-principles simulations to study the behavior of compounds at atomistic scale, and their architectural complexity is constantly increasing to enable…

Machine Learning · Computer Science 2026-05-04 Arindam Chowdhury , Massimiliano Lupo Pasini

Although graph neural networks (GNNs) have achieved impressive achievements in graph classification, they often need abundant task-specific labels, which could be extensively costly to acquire. A credible solution is to explore additional…

Machine Learning · Computer Science 2025-07-15 Nan Yin , Li Shen , Mengzhu Wang , Long Lan , Zeyu Ma , Chong Chen , Xian-Sheng Hua , Xiao Luo

Recent studies often exploit Graph Convolutional Network (GCN) to model label dependencies to improve recognition accuracy for multi-label image recognition. However, constructing a graph by counting the label co-occurrence possibilities of…

Computer Vision and Pattern Recognition · Computer Science 2020-12-08 Jin Ye , Junjun He , Xiaojiang Peng , Wenhao Wu , Yu Qiao

Graph Neural Networks (GNNs) are a framework for graph representation learning, where a model learns to generate low dimensional node embeddings that encapsulate structural and feature-related information. GNNs are usually trained in an…

Machine Learning · Computer Science 2020-12-15 Davide Buffelli , Fabio Vandin

Graph contrastive learning (GCL) learns node and graph representations by contrasting multiple views of the same graph. Existing methods typically rely on fixed, handcrafted views-usually a local and a global perspective, which limits their…

Machine Learning · Computer Science 2026-05-12 Yanan Zhao , Feng Ji , Jingyang Dai , Jiaze Ma , Keyue Jiang , Kai Zhao , Wee Peng Tay

Graph Neural Networks (GNNs) have proven to be highly effective in various graph learning tasks. A key characteristic of GNNs is their use of a fixed number of message-passing steps for all nodes in the graph, regardless of each node's…

Machine Learning · Computer Science 2025-09-03 Yassine Abbahaddou , Fragkiskos D. Malliaros , Johannes F. Lutzeyer , Michalis Vazirgiannis

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

The graph neural network (GNN) models have presented impressive achievements in numerous machine learning tasks. However, many existing GNN models are shown to be vulnerable to adversarial attacks, which creates a stringent need to build…

Machine Learning · Computer Science 2022-10-04 Zepeng Zhang , Songtao Lu , Zengfeng Huang , Ziping Zhao

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

Model compression aims to deploy deep neural networks (DNN) on mobile devices with limited computing and storage resources. However, most of the existing model compression methods rely on manually defined rules, which require domain…

Computer Vision and Pattern Recognition · Computer Science 2021-11-10 Sixing Yu , Arya Mazaheri , Ali Jannesari

We propose a novel benchmarking methodology for graph neural networks (GNNs) based on the graph alignment problem, a combinatorial optimization task that generalizes graph isomorphism by aligning two unlabeled graphs to maximize overlapping…

Machine Learning · Computer Science 2025-05-20 Adrien Lagesse , Marc Lelarge

Functional Magnetic Resonance Imaging (fMRI) provides useful insights into the brain function both during task or rest. Representing fMRI data using correlation matrices is found to be a reliable method of analyzing the inherent…

Machine Learning · Computer Science 2025-01-29 Yicheng Leng , Syed Muhammad Anwar , Islem Rekik , Sen He , Eung-Joo Lee

Combining Graph neural networks (GNNs) with contrastive learning for anomaly detection has drawn rising attention recently. Existing graph contrastive anomaly detection (GCAD) methods have primarily focused on improving detection capability…

Machine Learning · Computer Science 2023-05-05 Zhiyuan Liu , Chunjie Cao , Fangjian Tao , Jingzhang Sun

Message-passing neural networks (MPNNs) have been successfully applied to representation learning on graphs in a variety of real-world applications. However, two fundamental weaknesses of MPNNs' aggregators limit their ability to represent…

Machine Learning · Computer Science 2020-02-17 Hongbin Pei , Bingzhe Wei , Kevin Chen-Chuan Chang , Yu Lei , Bo Yang