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Graph neural networks (GNNs) have emerged as a powerful model to capture critical graph patterns. Instead of treating them as black boxes in an end-to-end fashion, attempts are arising to explain the model behavior. Existing works mainly…

Machine Learning · Computer Science 2024-02-22 Yi Nian , Yurui Chang , Wei Jin , Lu Lin

Graph Neural Networks (GNNs) have demonstrated impressive performance across diverse graph-based tasks by leveraging message passing to capture complex node relationships. However, on large-scale real-world graphs, GNNs face two major…

Machine Learning · Computer Science 2026-03-10 Xiang Li , Jianpeng Qi , Haobing Liu , Yuan Cao , Guoqing Chao , Zhongying Zhao , Junyu Dong , Xinwang Liu , Yanwei Yu

Graph Neural Networks (GNNs) are a powerful representational tool for solving problems on graph-structured inputs. In almost all cases so far, however, they have been applied to directly recovering a final solution from raw inputs, without…

Machine Learning · Statistics 2020-01-16 Petar Veličković , Rex Ying , Matilde Padovano , Raia Hadsell , Charles Blundell

Graph Neural Network (GNN), with the main idea of encoding graph structure information of graphs by propagation and aggregation, has developed rapidly. It achieved excellent performance in representation learning of multiple types of graphs…

Machine Learning · Computer Science 2024-07-04 Yushan Zhu , Wen Zhang , Yajing Xu , Zhen Yao , Mingyang Chen , Huajun Chen

Distributed optimization is fundamental to large-scale machine learning and control applications. Among existing methods, the alternating direction method of multipliers (ADMM) has gained popularity due to its strong convergence guarantees…

Machine Learning · Computer Science 2026-04-15 Henri Doerks , Paul Häusner , Daniel Hernández Escobar , Jens Sjölund

We propose a novel solution to addressing a long-standing dilemma in the representation learning of graph neural networks (GNNs): how to effectively capture and represent useful information embedded in long-distance nodes to improve the…

Machine Learning · Computer Science 2022-02-17 Ailing Zeng , Minhao Liu , Zhiwei Liu , Ruiyuan Gao , Jing Qin , Qiang Xu

We investigate the enhancement of graph neural networks' (GNNs) representation power through their ability in substructure counting. Recent advances have seen the adoption of subgraph GNNs, which partition an input graph into numerous…

Machine Learning · Computer Science 2024-06-14 Zuoyu Yan , Junru Zhou , Liangcai Gao , Zhi Tang , Muhan Zhang

Convolutional Neural Networks (CNN) have become state-of-the-art in the field of image classification. However, not everything is understood about their inner representations. This paper tackles the interpretability and explainability of…

Computer Vision and Pattern Recognition · Computer Science 2019-11-11 Brian Kenji Iwana , Ryohei Kuroki , Seiichi Uchida

Numerous subgraph-enhanced graph neural networks (GNNs) have emerged recently, provably boosting the expressive power of standard (message-passing) GNNs. However, there is a limited understanding of how these approaches relate to each other…

Machine Learning · Computer Science 2022-10-18 Chendi Qian , Gaurav Rattan , Floris Geerts , Christopher Morris , Mathias Niepert

Constructing appropriate representations of molecules lies at the core of numerous tasks such as material science, chemistry and drug designs. Recent researches abstract molecules as attributed graphs and employ graph neural networks (GNN)…

Machine Learning · Computer Science 2021-07-29 Jianwen Chen , Shuangjia Zheng , Ying Song , Jiahua Rao , Yuedong Yang

Graph neural networks (GNNs) have become powerful tools for processing graph-based information in various domains. A desirable property of GNNs is transferability, where a trained network can swap in information from a different graph…

Machine Learning · Computer Science 2024-06-24 A. Martina Neuman , Jason J. Bramburger

Graph neural networks based on iterative one-hop message passing have been shown to struggle in harnessing the information from distant nodes effectively. Conversely, graph transformers allow each node to attend to all other nodes directly,…

Machine Learning · Computer Science 2024-06-06 Yuhui Ding , Antonio Orvieto , Bobby He , Thomas Hofmann

Hypergraph neural networks (HGNN) have recently become attractive and received significant attention due to their excellent performance in various domains. However, most existing HGNNs rely on first-order approximations of hypergraph…

Artificial Intelligence · Computer Science 2024-01-11 Maolin Wang , Yaoming Zhen , Yu Pan , Yao Zhao , Chenyi Zhuang , Zenglin Xu , Ruocheng Guo , Xiangyu Zhao

Graph convolutional neural networks (GCNNs) have received much attention recently, owing to their capability in handling graph-structured data. Among the existing GCNNs, many methods can be viewed as instances of a neural message passing…

Machine Learning · Computer Science 2021-03-19 Tien Huu Do , Duc Minh Nguyen , Giannis Bekoulis , Adrian Munteanu , Nikos Deligiannis

Graph Neural Networks (GNNs) are proficient in graph representation learning and achieve promising performance on versatile tasks such as node classification and link prediction. Usually, a comprehensive hyperparameter tuning is essential…

Machine Learning · Computer Science 2024-10-10 Lequan Lin , Dai Shi , Andi Han , Zhiyong Wang , Junbin Gao

Hypergraphs offer a generalized framework for capturing high-order relationships between entities and have been widely applied in various domains, including healthcare, social networks, and bioinformatics. Hypergraph neural networks, which…

Machine Learning · Computer Science 2025-12-03 Akash Choudhuri , Yongjian Zhong , Bijaya Adhikari

The recent rapid growth in mobile data traffic entails a pressing demand for improving the throughput of the underlying wireless communication networks. Network node deployment has been considered as an effective approach for throughput…

Networking and Internet Architecture · Computer Science 2022-09-16 Yifei Yang , Dongmian Zou , Xiaofan He

Small subgraphs (graphlets) are important features to describe fundamental units of a large network. The calculation of the subgraph frequency distributions has a wide application in multiple domains including biology and engineering.…

Machine Learning · Computer Science 2022-07-15 Zhongren Chen , Xinyue Xu , Shengyi Jiang , Hao Wang , Lu Mi

Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

Machine Learning · Computer Science 2025-02-19 Jinlu Wang , Jipeng Guo , Yanfeng Sun , Junbin Gao , Shaofan Wang , Yachao Yang , Baocai Yin

Graph neural networks (GNNs) work remarkably well in semi-supervised node regression, yet a rigorous theory explaining when and why they succeed remains lacking. To address this gap, we study an aggregate-and-readout model that encompasses…

Machine Learning · Statistics 2026-02-20 Juntong Chen , Claire Donnat , Olga Klopp , Johannes Schmidt-Hieber