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Neural diffusion on graphs is a novel class of graph neural networks that has attracted increasing attention recently. The capability of graph neural partial differential equations (PDEs) in addressing common hurdles of graph neural…

Machine Learning · Computer Science 2023-05-12 Yang Song , Qiyu Kang , Sijie Wang , Zhao Kai , Wee Peng Tay

Finding frequently occurring subgraph patterns or network motifs in neural architectures is crucial for optimizing efficiency, accelerating design, and uncovering structural insights. However, as the subgraph size increases,…

Machine Learning · Computer Science 2026-02-04 Yikang Yang , Zhengxin Yang , Minghao Luo , Luzhou Peng , Hongxiao Li , Wanling Gao , Lei Wang , Jianfeng Zhan

Graph diffusion models have emerged as state-of-the-art techniques in graph generation; yet, integrating domain knowledge into these models remains challenging. Domain knowledge is particularly important in real-world scenarios, where…

Machine Learning · Computer Science 2024-12-09 Manuel Madeira , Clement Vignac , Dorina Thanou , Pascal Frossard

Graph diffusion models have recently been proposed to synthesize entire graphs, such as molecule graphs. Although existing methods have shown great performance in generating entire graphs for graph-level learning tasks, no graph diffusion…

Machine Learning · Computer Science 2025-03-18 Yancheng Wang , Changyu Liu , Yingzhen Yang

Cellular sheaves equip graphs with a "geometrical" structure by assigning vector spaces and linear maps to nodes and edges. Graph Neural Networks (GNNs) implicitly assume a graph with a trivial underlying sheaf. This choice is reflected in…

Machine Learning · Computer Science 2023-01-09 Cristian Bodnar , Francesco Di Giovanni , Benjamin Paul Chamberlain , Pietro Liò , Michael M. Bronstein

Graph convolution is the core of most Graph Neural Networks (GNNs) and usually approximated by message passing between direct (one-hop) neighbors. In this work, we remove the restriction of using only the direct neighbors by introducing a…

Social and Information Networks · Computer Science 2022-04-06 Johannes Gasteiger , Stefan Weißenberger , Stephan Günnemann

Graph Neural Network (GNN) achieves great success for node-level and graph-level tasks via encoding meaningful topological structures of networks in various domains, ranging from social to biological networks. However, repeated aggregation…

Machine Learning · Computer Science 2025-08-26 Tanvir Hossain , Khaled Mohammed Saifuddin , Muhammad Ifte Khairul Islam , Farhan Tanvir , Esra Akbas

Graph Neural Networks (GNNs) have achieved a lot of success with graph-structured data. However, it is observed that the performance of GNNs does not improve (or even worsen) as the number of layers increases. This effect has known as…

Machine Learning · Computer Science 2023-01-10 Yeskendir Koishekenov

The popularity of deep learning techniques renewed the interest in neural architectures able to process complex structures that can be represented using graphs, inspired by Graph Neural Networks (GNNs). We focus our attention on the…

Machine Learning · Computer Science 2021-09-02 Matteo Tiezzi , Giuseppe Marra , Stefano Melacci , Marco Maggini

Graph convolutional networks (GCNs) have shown promising results in processing graph data by extracting structure-aware features. This gave rise to extensive work in geometric deep learning, focusing on designing network architectures that…

Machine Learning · Computer Science 2022-01-20 Yimeng Min , Frederik Wenkel , Guy Wolf

In recent years, Graph Convolutional Networks (GCNs) have gained popularity for their exceptional ability to process graph-structured data. Existing GCN-based approaches typically employ a shallow model architecture due to the…

Machine Learning · Computer Science 2025-04-22 Jielong Lu , Zhihao Wu , Zhiling Cai , Yueyang Pi , Shiping Wang

Despite the recent success of graph neural networks (GNN), common architectures often exhibit significant limitations, including sensitivity to oversmoothing, long-range dependencies, and spurious edges, e.g., as can occur as a result of…

Machine Learning · Computer Science 2021-12-06 Yongyi Yang , Tang Liu , Yangkun Wang , Jinjing Zhou , Quan Gan , Zhewei Wei , Zheng Zhang , Zengfeng Huang , David Wipf

Diffusion has shown great success in improving accuracy of unsupervised image retrieval systems by utilizing high-order structures of image manifold. However, existing diffusion methods suffer from three major limitations: 1) they usually…

Computer Vision and Pattern Recognition · Computer Science 2020-06-15 Zhiyong Dou , Haotian Cui , Lin Zhang , Bo Wang

While Hyperbolic Graph Neural Network (HGNN) has recently emerged as a powerful tool dealing with hierarchical graph data, the limitations of scalability and efficiency hinder itself from generalizing to deep models. In this paper, by…

Machine Learning · Computer Science 2024-06-10 Jiaxu Liu , Xinping Yi , Sihao Wu , Xiangyu Yin , Tianle Zhang , Xiaowei Huang , Shi Jin

Graph neural networks (GNNs) have shown state-of-the-art performances in various applications. However, GNNs often struggle to capture long-range dependencies in graphs due to oversmoothing. In this paper, we generalize the concept of…

Machine Learning · Computer Science 2023-11-01 Sohir Maskey , Raffaele Paolino , Aras Bacho , Gitta Kutyniok

Graph neural networks (GNNs) are designed to process data associated with graphs. They are finding an increasing range of applications; however, as with other modern machine learning techniques, their theoretical understanding is limited.…

Disordered Systems and Neural Networks · Physics 2026-02-23 O. Duranthon , L. Zdeborová

Recent studies reveal the connection between GNNs and the diffusion process, which motivates many diffusion-based GNNs to be proposed. However, since these two mechanisms are closely related, one fundamental question naturally arises: Is…

Social and Information Networks · Computer Science 2024-04-23 Yibo Li , Xiao Wang , Hongrui Liu , Chuan Shi

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) 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

Node features of graph neural networks (GNNs) tend to become more similar with the increase of the network depth. This effect is known as over-smoothing, which we axiomatically define as the exponential convergence of suitable similarity…

Machine Learning · Computer Science 2023-03-21 T. Konstantin Rusch , Michael M. Bronstein , Siddhartha Mishra