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Machine learning frameworks such as graph neural networks typically rely on a given, fixed graph to exploit relational inductive biases and thus effectively learn from network data. However, when said graphs are (partially) unobserved,…

Machine Learning · Computer Science 2022-05-20 Max Wasserman , Saurabh Sihag , Gonzalo Mateos , Alejandro Ribeiro

Graph neural network have achieved impressive results in predicting molecular properties, but they do not directly account for local and hidden structures in the graph such as functional groups and molecular geometry. At each propagation…

Machine Learning · Computer Science 2020-02-25 Daniel Flam-Shepherd , Tony Wu , Pascal Friederich , Alan Aspuru-Guzik

Graph Convolutional Neural Networks (GCNNs) extend classical CNNs to graph data domain, such as brain networks, social networks and 3D point clouds. It is critical to identify an appropriate graph for the subsequent graph convolution.…

Machine Learning · Computer Science 2019-09-12 Jiaxiang Tang , Wei Hu , Xiang Gao , Zongming Guo

A fundamental computation for statistical inference and accurate decision-making is to compute the marginal probabilities or most probable states of task-relevant variables. Probabilistic graphical models can efficiently represent the…

Machine Learning · Computer Science 2019-06-28 KiJung Yoon , Renjie Liao , Yuwen Xiong , Lisa Zhang , Ethan Fetaya , Raquel Urtasun , Richard Zemel , Xaq Pitkow

Graph neural networks (GNNs) rely on graph convolutions to extract local features from network data. These graph convolutions combine information from adjacent nodes using coefficients that are shared across all nodes. Since these…

Machine Learning · Computer Science 2020-10-22 Luana Ruiz , Luiz F. O. Chamon , Alejandro Ribeiro

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-based learning provides a powerful framework for modeling complex relational structures; however, its application within the domain of wireless security remains significantly underexplored. In this work, we introduce the first…

Networking and Internet Architecture · Computer Science 2025-06-19 Dania Herzalla , Willian T. Lunardi , Martin Andreoni

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

Inspired by the generation power of generative adversarial networks (GANs) in image domains, we introduce a novel hierarchical architecture for learning characteristic topological features from a single arbitrary input graph via GANs. The…

Social and Information Networks · Computer Science 2019-10-10 Weiyi Liu , Hal Cooper , Min Hwan Oh , Sailung Yeung , Pin-Yu Chen , Toyotaro Suzumura , Lingli Chen

Graph Neural Networks (GNNs) are learning models aimed at processing graphs and signals on graphs. The most popular and successful GNNs are based on message passing schemes. Such schemes inherently have limited expressive power when it…

Machine Learning · Computer Science 2022-06-24 Jacob Bamberger

Graph neural networks (GNNs) have evolved into one of the most popular deep learning architectures. However, GNNs suffer from over-smoothing node information and, therefore, struggle to solve tasks where global graph properties are…

Machine Learning · Computer Science 2023-08-31 Bernhard Schäfl , Lukas Gruber , Johannes Brandstetter , Sepp Hochreiter

Graph neural networks (GNNs) are popular to use for classifying structured data in the context of machine learning. But surprisingly, they are rarely applied to regression problems. In this work, we adopt GNN for a classic but challenging…

Machine Learning · Computer Science 2021-02-16 Wenzhong Yan , Di Jin , Zhidi Lin , Feng Yin

Graph Convolutional Networks (GCNs) gained traction for graph representation learning, with recent attention on improving performance on heterophilic graphs for various real-world applications. The localized feature aggregation in a typical…

Machine Learning · Computer Science 2025-07-30 Garv Kaushik

Existing Graph Neural Networks (GNNs) follow the message-passing mechanism that conducts information interaction among nodes iteratively. While considerable progress has been made, such node interaction paradigms still have the following…

Machine Learning · Computer Science 2023-04-14 Jie Chen , Zilong Li , Yin Zhu , Junping Zhang , Jian Pu

Geometric deep learning has made great strides towards generalizing the design of structure-aware neural networks from traditional domains to non-Euclidean ones, giving rise to graph neural networks (GNN) that can be applied to…

Machine Learning · Statistics 2024-10-28 Frederik Wenkel , Yimeng Min , Matthew Hirn , Michael Perlmutter , Guy Wolf

Graph similarity learning, crucial for tasks such as graph classification and similarity search, focuses on measuring the similarity between two graph-structured entities. The core challenge in this field is effectively managing the…

Information Retrieval · Computer Science 2025-02-26 Zenghui Chang , Yiqiao Zhang , Hong Cai Chen

Graph Neural Networks (GNNs) are characterized by their capacity of processing graph-structured data. However, due to the sparsity of labels under semi-supervised learning, they have been found to exhibit biased performance on specific…

Machine Learning · Computer Science 2025-12-16 Yihan Zhang

Graph representation learning aim at integrating node contents with graph structure to learn nodes/graph representations. Nevertheless, it is found that many existing graph learning methods do not work well on data with high heterophily…

Machine Learning · Computer Science 2023-10-13 Jincheng Huang , Ping Li , Rui Huang , Chen Na , Acong Zhang

Federated graph learning collaboratively learns a global graph neural network with distributed graphs, where the non-independent and identically distributed property is one of the major challenges. Most relative arts focus on traditional…

Machine Learning · Computer Science 2024-07-02 Wenke Huang , Guancheng Wan , Mang Ye , Bo Du

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
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