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This paper addresses the challenging problem of retrieval and matching of graph structured objects, and makes two key contributions. First, we demonstrate how Graph Neural Networks (GNN), which have emerged as an effective model for various…

Machine Learning · Computer Science 2019-05-14 Yujia Li , Chenjie Gu , Thomas Dullien , Oriol Vinyals , Pushmeet Kohli

Link prediction in structured-data is an important problem for many applications, especially for recommendation systems. Existing methods focus on how to learn the node representation based on graph-based structure. High-dimensional sparse…

Social and Information Networks · Computer Science 2021-12-28 Yifei Zhao , Mingdong Ou , Rongzhi Zhang , Meng Li

Graphs are a powerful data structure for representing relational data and are widely used to describe complex real-world systems. Probabilistic Graphical Models (PGMs) and Graph Neural Networks (GNNs) can both leverage graph-structured…

Machine Learning · Statistics 2025-08-26 Michela Lapenna , Caterina De Bacco

The topological (or graph) structures of real-world networks are known to be predictive of multiple dynamic properties of the networks. Conventionally, a graph structure is represented using an adjacency matrix or a set of hand-crafted…

Social and Information Networks · Computer Science 2016-10-21 Cheng Li , Xiaoxiao Guo , Qiaozhu Mei

This paper presents a novel graph-based deep learning model for tasks involving relations between two nodes (edge-centric tasks), where the focus lies on predicting relationships and interactions between pairs of nodes rather than node…

Machine Learning · Computer Science 2025-07-08 Eugenio Borzone , Leandro Di Persia , Matias Gerard

Graphs are essential for modeling complex relationships and capturing structured interactions in data. Graph Neural Networks (GNNs) are particularly effective when such relational structure is explicitly available, but many real-world…

Graphics · Computer Science 2026-03-02 Haozhe Chen , Soheila Farokhi , Kelvyn Bladen , Hamid Karimi , Kevin R. Moon

Graph neural networks are currently leading the performance charts in learning-based molecule property prediction and classification. Computational chemistry has, therefore, become the a prominent testbed for generic graph neural networks,…

Machine Learning · Computer Science 2020-02-04 Eliya Nachmani , Lior Wolf

This paper builds on the connection between graph neural networks and traditional dynamical systems. We propose continuous graph neural networks (CGNN), which generalise existing graph neural networks with discrete dynamics in that they can…

Machine Learning · Computer Science 2020-07-17 Louis-Pascal A. C. Xhonneux , Meng Qu , Jian Tang

Graphs are a commonly used construct for representing relationships between elements in complex high dimensional datasets. Many real-world phenomenon are dynamic in nature, meaning that any graph used to represent them is inherently…

Social and Information Networks · Computer Science 2018-11-21 Stephen Bonner , John Brennan , Ibad Kureshi , Georgios Theodoropoulos , Andrew Stephen McGough , Boguslaw Obara

Cascade prediction aims at modeling information diffusion in the network. Most previous methods concentrate on mining either structural or sequential features from the network and the propagation path. Recent efforts devoted to combining…

Machine Learning · Computer Science 2021-12-08 Yansong Wang , Xiaomeng Wang , Tao Jia

The recommendation system is not only a problem of inductive statistics from data but also a cognitive task that requires reasoning ability. The most advanced graph neural networks have been widely used in recommendation systems because…

Artificial Intelligence · Computer Science 2023-07-12 Bang Chen , Wei Peng , Maonian Wu , Bo Zheng , Shaojun Zhu

Graph Neural Networks (GNNs) extend basic Neural Networks (NNs) by additionally making use of graph structure based on the relational inductive bias (edge bias), rather than treating the nodes as collections of independent and identically…

Machine Learning · Computer Science 2023-11-07 Sitao Luan , Chenqing Hua , Qincheng Lu , Jiaqi Zhu , Xiao-Wen Chang , Doina Precup

Present-day graphical user interfaces (GUIs) exhibit diverse arrangements of text, graphics, and interactive elements such as buttons and menus, but representations of GUIs have not kept up. They do not encapsulate both semantic and…

Human-Computer Interaction · Computer Science 2024-04-23 Yue Jiang , Changkong Zhou , Vikas Garg , Antti Oulasvirta

Graph neural networks (GNNs) have shown advantages in graph-based analysis tasks. However, most existing methods have the homogeneity assumption and show poor performance on heterophilic graphs, where the linked nodes have dissimilar…

Machine Learning · Computer Science 2024-04-16 Tianhao Peng , Wenjun Wu , Haitao Yuan , Zhifeng Bao , Zhao Pengrui , Xin Yu , Xuetao Lin , Yu Liang , Yanjun Pu

Graph-based neural network models are gaining traction in the field of representation learning due to their ability to uncover latent topological relationships between entities that are otherwise challenging to identify. These models have…

Image and Video Processing · Electrical Eng. & Systems 2023-07-25 Aryan Singh , Pepijn Van de Ven , Ciarán Eising , Patrick Denny

As a prevalent problem in online advertising, CTR prediction has attracted plentiful attention from both academia and industry. Recent studies have been reported to establish CTR prediction models in the graph neural networks (GNNs)…

Information Retrieval · Computer Science 2023-02-01 Panyu Zhai , Yanwu Yang , Chunjie Zhang

Graph learning methods have been extensively applied in diverse application areas. However, what kind of inherent graph properties e.g. graph proximity, graph structural information has been encoded into graph representation learning for…

Machine Learning · Computer Science 2024-08-08 Mingyu Zhao , Xingyu Huang , Ziyu Lyu , Yanlin Wang , Lixin Cui , Lu Bai

Graph neural networks trained to predict observable dynamics can be used to decompose the temporal activity of complex heterogeneous systems into simple, interpretable representations. Here we apply this framework to simulated neural…

Neurons and Cognition · Quantitative Biology 2026-02-17 Cédric Allier , Larissa Heinrich , Magdalena Schneider , Stephan Saalfeld

Learning-based methods have become increasingly popular for solving vehicle routing problems due to their near-optimal performance and fast inference speed. Among them, the combination of deep reinforcement learning and graph representation…

Machine Learning · Computer Science 2024-05-22 Zhenwei Wang , Ruibin Bai , Fazlullah Khan , Ender Ozcan , Tiehua Zhang

Graph neural networks have recently become a standard method for analysing chemical compounds. In the field of molecular property prediction, the emphasis is now put on designing new model architectures, and the importance of atom…

Chemical Physics · Physics 2021-02-15 Agnieszka Pocha , Tomasz Danel , Łukasz Maziarka
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