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In recommender systems, user-item interactions can be modeled as a bipartite graph, where user and item nodes are connected by undirected edges. This graph-based view has motivated the rapid adoption of graph neural networks (GNNs), which…

Deep learning models are often considered black boxes due to their complex hierarchical transformations. Identifying suitable architectures is crucial for maximizing predictive performance with limited data. Understanding the geometric…

Machine Learning · Computer Science 2025-03-11 Michael Wienczkowski , Addisu Desta , Paschal Ugochukwu

Graphs can model real-world, complex systems by representing entities and their interactions in terms of nodes and edges. To better exploit the graph structure, graph neural networks have been developed, which learn entity and edge…

Machine Learning · Computer Science 2022-06-06 Tong Liu , Yushan Liu , Marcel Hildebrandt , Mitchell Joblin , Hang Li , Volker Tresp

The exploration of Graph Neural Networks (GNNs) for processing graph-structured data has expanded, particularly their potential for causal analysis due to their universal approximation capabilities. Anticipated to significantly enhance…

Machine Learning · Computer Science 2024-01-30 Simi Job , Xiaohui Tao , Taotao Cai , Lin Li , Haoran Xie , Jianming Yong

Factors such as the proliferation of renewable energy and electrification contribute to grid congestion as a pressing problem. Topology control is an appealing method for relieving congestion, but traditional approaches for topology…

Machine Learning · Computer Science 2025-10-06 Matthijs de Jong , Jan Viebahn , Yuliya Shapovalova

Graph, as an important data representation, is ubiquitous in many real world applications ranging from social network analysis to biology. How to correctly and effectively learn and extract information from graph is essential for a large…

Machine Learning · Computer Science 2020-10-27 Xiaodong Jiang , Ronghang Zhu , Pengsheng Ji , Sheng Li

Modern data analysis pipelines are becoming increasingly complex due to the presence of multi-view information sources. While graphs are effective in modeling complex relationships, in many scenarios a single graph is rarely sufficient to…

Machine Learning · Statistics 2019-04-02 Uday Shankar Shanthamallu , Jayaraman J. Thiagarajan , Huan Song , Andreas Spanias

Graph Neural Networks have emerged as the most popular architecture for graph-level learning, including graph classification and regression tasks, which frequently arise in areas such as biochemistry and drug discovery. Achieving good…

Machine Learning · Computer Science 2025-03-04 Lukas Fesser , Melanie Weber

Message Passing Neural Networks (MPNNs) hold a key position in machine learning on graphs, but they struggle with unintended behaviors, such as over-smoothing and over-squashing, due to irregular data structures. The observation and…

Machine Learning · Computer Science 2025-08-26 Junhyun Lee , Veronika Thost , Bumsoo Kim , Jaewoo Kang , Tengfei Ma

Graph rewiring has emerged as a key technique to alleviate over-squashing in Graph Neural Networks (GNNs) and Graph Transformers by modifying the graph topology to improve information flow. While effective, rewiring inherently alters the…

Machine Learning · Computer Science 2025-10-24 Alexandre Benoit , Catherine Aitken , Yu He

Graph neural networks (GNN) have shown outstanding applications in many fields where data is fundamentally represented as graphs (e.g., chemistry, biology, recommendation systems). In this vein, communication networks comprise many…

Graph Neural Networks (GNNs) are non-Euclidean deep learning models for graph-structured data. Despite their successful and diverse applications, oversmoothing prohibits deep architectures due to node features converging to a single fixed…

Machine Learning · Computer Science 2024-12-06 Arseny Skryagin , Felix Divo , Mohammad Amin Ali , Devendra Singh Dhami , Kristian Kersting

Graph neural networks (GNNs) have achieved tremendous success in the task of graph classification and its diverse downstream real-world applications. Despite the huge success in learning graph representations, current GNN models have…

Social and Information Networks · Computer Science 2023-09-07 Xin Wang , Heng Chang , Beini Xie , Tian Bian , Shiji Zhou , Daixin Wang , Zhiqiang Zhang , Wenwu Zhu

Graph neural networks (GNNs) provide state-of-the-art results in a wide variety of tasks which typically involve predicting features at the vertices of a graph. They are built from layers of graph convolutions which serve as a powerful…

Machine Learning · Statistics 2024-11-08 Mauricio Velasco , Kaiying O'Hare , Bernardo Rychtenberg , Soledad Villar

Graph Neural Networks (GNNs) are deep learning models that take graph data as inputs, and they are applied to various tasks such as traffic prediction and molecular property prediction. However, owing to the complexity of the GNNs, it has…

Machine Learning · Computer Science 2021-11-02 Tetsu Kasanishi , Xueting Wang , Toshihiko Yamasaki

Graph neural networks (GNNs) have been widely used to learn vector representation of graph-structured data and achieved better task performance than conventional methods. The foundation of GNNs is the message passing procedure, which…

Machine Learning · Computer Science 2022-01-31 Takeshi D. Itoh , Takatomi Kubo , Kazushi Ikeda

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Machine Learning · Computer Science 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

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) typically operate by message-passing, where the state of a node is updated based on the information received from its neighbours. Most message-passing models act as graph convolutions, where features are mixed…

Message Passing Neural Networks (MPNNs) are a class of Graph Neural Networks (GNNs) that propagate information across the graph via local neighborhoods. The scheme gives rise to two key challenges: over-smoothing and over-squashing. While…

Machine Learning · Computer Science 2025-05-30 Jasraj Singh , Keyue Jiang , Brooks Paige , Laura Toni
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