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Graph Neural Networks (GNNs) face two fundamental challenges when scaled to deep architectures: oversmoothing, where node representations converge to indistinguishable vectors, and oversquashing, where information from distant nodes fails…

Machine Learning · Computer Science 2026-03-30 Mostafa Haghir Chehreghani

Graph Neural Networks (GNNs) achieve an impressive performance on structured graphs by recursively updating the representation vector of each node based on its neighbors, during which parameterized transformation matrices should be learned…

Machine Learning · Computer Science 2019-06-14 Pengfei Chen , Weiwen Liu , Chang-Yu Hsieh , Guangyong Chen , Shengyu Zhang

Graph Neural Networks (GNNs) have attracted considerable attention and have emerged as a new promising paradigm to process graph-structured data. GNNs are usually stacked to multiple layers and the node representations in each layer are…

Machine Learning · Computer Science 2020-09-25 Yihao Chen , Xin Tang , Xianbiao Qi , Chun-Guang Li , Rong Xiao

Hypergraphs are a powerful abstraction for representing higher-order interactions between entities of interest. To exploit these relationships in making downstream predictions, a variety of hypergraph neural network architectures have…

Machine Learning · Computer Science 2023-06-21 Yuxin Wang , Quan Gan , Xipeng Qiu , Xuanjing Huang , David Wipf

Graph Neural Networks (GNNs) have emerged as a powerful framework for modeling complex interconnected systems, hence making them particularly well-suited to address the growing challenges of next-generation Internet of Things (NG-IoT)…

Information Theory · Computer Science 2025-09-18 Nguyen Xuan Tung , Le Tung Giang , Bui Duc Son , Seon Geun Jeong , Trinh Van Chien , Won Joo Hwang , Lajos Hanzo

Graph neural networks (GNNs) have achieved significant progress in graph-based learning tasks, yet their performance often deteriorates when facing heterophilous structures where connected nodes differ substantially in features and labels.…

Machine Learning · Computer Science 2025-11-13 Xuanze Chen , Jiajun Zhou , Yadong Li , Jinsong Chen , Shanqing Yu , Qi Xuan

While the celebrated graph neural networks yield effective representations for individual nodes of a graph, there has been relatively less success in extending to the task of graph similarity learning. Recent work on graph similarity…

Machine Learning · Computer Science 2021-08-20 Xiang Ling , Lingfei Wu , Saizhuo Wang , Tengfei Ma , Fangli Xu , Alex X. Liu , Chunming Wu , Shouling Ji

Graph Neural Networks (GNNs) are prominent in handling sparse and unstructured data efficiently and effectively. Specifically, GNNs were shown to be highly effective for node classification tasks, where labelled information is available for…

Machine Learning · Computer Science 2022-12-01 Moshe Eliasof , Eldad Haber , Eran Treister

Graph Neural Networks (GNNs) are de facto solutions to structural data learning. However, it is susceptible to low-quality and unreliable structure, which has been a norm rather than an exception in real-world graphs. Existing graph…

Machine Learning · Computer Science 2023-03-20 Dongcheng Zou , Hao Peng , Xiang Huang , Renyu Yang , Jianxin Li , Jia Wu , Chunyang Liu , Philip S. Yu

Graph Convolutional Networks (GCNs) are powerful for processing graph-structured data and have achieved state-of-the-art performance in several tasks such as node classification, link prediction, and graph classification. However, it is…

Machine Learning · Computer Science 2021-10-19 Langzhang Liang , Cuiyun Gao , Shiyi Chen , Shishi Duan , Yu pan , Junjin Zheng , Lei Wang , Zenglin Xu

Graph generation poses a significant challenge as it involves predicting a complete graph with multiple nodes and edges based on simply a given label. This task also carries fundamental importance to numerous real-world applications,…

Machine Learning · Computer Science 2024-02-21 Xiandong Zou , Xiangyu Zhao , Pietro Liò , Yiren Zhao

Graph neural networks (GNNs) have emerged as one of the most effective ML techniques for drug effect prediction from drug molecular graphs. Despite having immense potential, GNN models lack performance when using datasets that contain…

Machine Learning · Computer Science 2024-10-15 Avishek Bose , Guojing Cong

Graph neural networks (GNNs) have emerged as a powerful tool for solving combinatorial optimization problems (COPs), exhibiting state-of-the-art performance in both graph-structured and non-graph-structured domains. However, existing…

Artificial Intelligence · Computer Science 2024-06-21 Yaochu Jin , Xueming Yan , Shiqing Liu , Xiangyu Wang

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

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

Biomolecules · Quantitative Biology 2023-10-10 Apakorn Kengkanna , Masahito Ohue

Graph neural networks (GNNs) have been widely investigated in the field of semi-supervised graph machine learning. Most methods fail to exploit adequate graph information when labeled data is limited, leading to the problem of…

Machine Learning · Computer Science 2023-03-15 Linxuan Song , Wenxuan Tu , Sihang Zhou , Xinwang Liu , En Zhu

Graph Neural Networks (GNNs) have become powerful tools for learning from graph-structured data, finding applications across diverse domains. However, as graph sizes and connectivity increase, standard GNN training methods face significant…

Machine Learning · Computer Science 2025-12-01 Eshed Gal , Moshe Eliasof , Carola-Bibiane Schönlieb , Ivan I. Kyrchei , Eldad Haber , Eran Treister

Deploying graph neural networks (GNNs) on whole-graph classification or regression tasks is known to be challenging: it often requires computing node features that are mindful of both local interactions in their neighbourhood and the global…

Machine Learning · Computer Science 2022-12-22 Andreea Deac , Marc Lackenby , Petar Veličković

Approximation-based spectral graph neural networks, which construct graph filters with function approximation, have shown substantial performance in graph learning tasks. Despite their great success, existing works primarily employ…

Machine Learning · Computer Science 2025-05-21 Guoming Li , Jian Yang , Shangsong Liang

Graph Neural Networks (GNNs) combine node attributes over a fixed granularity of the local graph structure around a node to predict its label. However, different nodes may relate to a node-level property with a different granularity of its…

Machine Learning · Computer Science 2025-06-19 Kartik Sharma , Vineeth Rakesh , Yingtong Dou , Srijan Kumar , Mahashweta Das
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