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Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect…

Machine Learning · Computer Science 2020-11-10 Emily Alsentzer , Samuel G. Finlayson , Michelle M. Li , Marinka Zitnik

Sequential interaction networks (SIN) have been commonly adopted in many applications such as recommendation systems, search engines and social networks to describe the mutual influence between users and items/products. Efforts on…

Machine Learning · Computer Science 2023-05-09 Junda Ye , Zhongbao Zhang , Li Sun , Yang Yan , Feiyang Wang , Fuxin Ren

Hypergraph representations are both more efficient and better suited to describe data characterized by relations between two or more objects. In this work, we present a new graph neural network based on message passing capable of processing…

Machine Learning · Computer Science 2022-09-19 Sajjad Heydari , Lorenzo Livi

Graph Neural Networks (GNNs) are routinely used in molecular physics, social sciences, and economics to model many-body interactions in graph-like systems. However, GNNs are inherently local and can suffer from information flow bottlenecks.…

Computational Physics · Physics 2025-02-21 Alessandro Caruso , Jacopo Venturin , Lorenzo Giambagli , Edoardo Rolando , Frank Noé , Cecilia Clementi

Designing neural network architectures that can handle data symmetry is crucial. This is especially important for geometric graphs whose properties are equivariance under Euclidean transformations. Current equivariant graph neural networks…

Machine Learning · Computer Science 2025-03-14 Viet-Hoang Tran , Thieu N. Vo , Tho Tran Huu , Tan Minh Nguyen

Graph learning is crucial in the fields of bioinformatics, social networks, and chemicals. Although high-order graphlets, such as cycles, are critical to achieving an informative graph representation for node classification, edge…

Machine Learning · Computer Science 2024-02-14 Ziquan Wei , Tingting Dan , Guorong Wu

Graph Neural Networks (GNNs) have become the standard approach for learning and reasoning over relational data, leveraging the message-passing mechanism that iteratively propagates node embeddings through graph structures. While GNNs have…

Machine Learning · Computer Science 2025-01-14 Xiaoyu Li , Yingyu Liang , Zhenmei Shi , Zhao Song , Wei Wang , Jiahao Zhang

Graph Neural Networks (GNNs) are exemplary deep models designed for graph data. Message passing mechanism enables GNNs to effectively capture graph topology and push the performance boundaries across various graph tasks. However, the trend…

Neural and Evolutionary Computing · Computer Science 2025-09-29 Huizhe Zhang , Jintang Li , Yuchang Zhu , Liang Chen , Li Kuang

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 networks (GNNs) have emerged as powerful tools for learning protein structures by capturing spatial relationships at the residue level. However, existing GNN-based methods often face challenges in learning multiscale…

Machine Learning · Computer Science 2026-02-03 Shih-Hsin Wang , Yuhao Huang , Taos Transue , Justin Baker , Jonathan Forstater , Thomas Strohmer , Bao Wang

Modelling long-range dependencies is critical for scene understanding tasks in computer vision. Although CNNs have excelled in many vision tasks, they are still limited in capturing long-range structured relationships as they typically…

Computer Vision and Pattern Recognition · Computer Science 2022-09-16 Li Zhang , Dan Xu , Anurag Arnab , Philip H. S. Torr

Graph neural networks (GNNs) are a powerful inductive bias for modelling algorithmic reasoning procedures and data structures. Their prowess was mainly demonstrated on tasks featuring Markovian dynamics, where querying any associated data…

Machine Learning · Computer Science 2021-04-28 Heiko Strathmann , Mohammadamin Barekatain , Charles Blundell , Petar Veličković

Hypergraph neural networks can model multi-way connections among nodes of the graphs, which are common in real-world applications such as genetic medicine. In particular, genetic pathways or gene sets encode molecular functions driven by…

Machine Learning · Computer Science 2022-10-17 Yuan Luo

Graph convolutional network (GCN) based approaches have achieved significant progress for solving complex, graph-structured problems. GCNs incorporate the graph structure information and the node (or edge) features through message passing…

Machine Learning · Computer Science 2021-05-04 Saurav Manchanda , Da Zheng , George Karypis

Message Passing Neural Networks (MPNNs) are a staple of graph machine learning. MPNNs iteratively update each node's representation in an input graph by aggregating messages from the node's neighbors, which necessitates a memory complexity…

Machine Learning · Computer Science 2024-12-24 Ben Finkelshtein , İsmail İlkan Ceylan , Michael Bronstein , Ron Levie

In recent years, Graph Neural Network (GNN) has bloomly progressed for its power in processing graph-based data. Most GNNs follow a message passing scheme, and their expressive power is mathematically limited by the discriminative ability…

Machine Learning · Computer Science 2021-04-06 Alan J. X. Guo , Qing-Hu Hou , Ou Wu

Graph Neural Networks (GNNs) are eminently suitable for wireless resource management, thanks to their scalability, but they still face computational challenges in large-scale, dense networks in classical computers. The integration of…

Information Theory · Computer Science 2026-01-27 Le Tung Giang , Nguyen Xuan Tung , Trinh Van Chien , Lajos Hanzo , Won-Joo Hwang

Topological Deep Learning seeks to enhance the predictive performance of neural network models by harnessing topological structures in input data. Topological neural networks operate on spaces such as cell complexes and hypergraphs, that…

Graph retrieval based on subgraph isomorphism has several real-world applications such as scene graph retrieval, molecular fingerprint detection and circuit design. Roy et al. [35] proposed IsoNet, a late interaction model for subgraph…

Machine Learning · Computer Science 2025-10-28 Ashwin Ramachandran , Vaibhav Raj , Indrayumna Roy , Soumen Chakrabarti , Abir De

Graph serves as a powerful tool for modeling data that has an underlying structure in non-Euclidean space, by encoding relations as edges and entities as nodes. Despite developments in learning from graph-structured data over the years, one…

Machine Learning · Computer Science 2022-12-20 Tianxiang Zhao , Dongsheng Luo , Xiang Zhang , Suhang Wang
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