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The rapid expansion of Internet of Things (IoT) ecosystems has led to increasingly complex and heterogeneous network topologies. Traditional network monitoring and visualization tools rely on aggregated metrics or static representations,…

Graph Neural Networks (GNNs) are a powerful tool for machine learning on graphs.GNNs combine node feature information with the graph structure by recursively passing neural messages along edges of the input graph. However, incorporating…

机器学习 · 计算机科学 2019-11-15 Rex Ying , Dylan Bourgeois , Jiaxuan You , Marinka Zitnik , Jure Leskovec

Graph Neural Networks (GNNs) have demonstrated impressive performance across diverse graph-based tasks by leveraging message passing to capture complex node relationships. However, on large-scale real-world graphs, GNNs face two major…

机器学习 · 计算机科学 2026-03-10 Xiang Li , Jianpeng Qi , Haobing Liu , Yuan Cao , Guoqing Chao , Zhongying Zhao , Junyu Dong , Xinwang Liu , Yanwei Yu

Graph neural networks (GNNs) are the most widely adopted model in graph-structured data oriented learning and representation. Despite their extraordinary success in real-world applications, understanding their working mechanism by theory is…

机器学习 · 计算机科学 2023-05-16 Huayi Tang , Yong Liu

Graph Neural Networks (GNNs) have emerged as promising solutions for collaborative filtering (CF) through the modeling of user-item interaction graphs. The nucleus of existing GNN-based recommender systems involves recursive message passing…

机器学习 · 计算机科学 2024-05-21 Peiyan Zhang , Yuchen Yan , Xi Zhang , Chaozhuo Li , Senzhang Wang , Feiran Huang , Sunghun Kim

Graph neural networks (GNNs) have received tremendous attention due to their power in learning effective representations for graphs. Most GNNs follow a message-passing scheme where the node representations are updated by aggregating and…

机器学习 · 计算机科学 2021-05-11 Wei Jin , Xiaorui Liu , Yao Ma , Tyler Derr , Charu Aggarwal , Jiliang Tang

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn…

机器学习 · 计算机科学 2020-02-06 Seongjun Yun , Minbyul Jeong , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Graph Neural Network (GNN) is a powerful tool to perform standard machine learning on graphs. To have a Euclidean representation of every node in the Non-Euclidean graph-like data, GNN follows neighbourhood aggregation and combination of…

机器学习 · 计算机科学 2021-11-18 Sucheta Dawn , Sanghamitra Bandyopadhyay

Graph neural networks (GNNs) are widely used as surrogates for costly experiments and first-principles simulations to study the behavior of compounds at atomistic scale, and their architectural complexity is constantly increasing to enable…

机器学习 · 计算机科学 2026-05-04 Arindam Chowdhury , Massimiliano Lupo Pasini

Graph-structured data ubiquitously appears in science and engineering. Graph neural networks (GNNs) are designed to exploit the relational inductive bias exhibited in graphs; they have been shown to outperform other forms of neural networks…

机器学习 · 计算机科学 2021-02-03 Veronika Thost , Jie Chen

Graph Neural Networks (GNNs) have attracted increasing attention in recent years and have achieved excellent performance in semi-supervised node classification tasks. The success of most GNNs relies on one fundamental assumption, i.e., the…

机器学习 · 计算机科学 2024-12-03 Junchao Lin , Yuan Wan , Jingwen Xu , Xingchen Qi

Graph Neural Networks operate through bottom-up message-passing, fundamentally differing from human visual perception, which intuitively captures global structures first. We investigate the underappreciated potential of vision models for…

计算机视觉与模式识别 · 计算机科学 2025-10-30 Xinjian Zhao , Wei Pang , Zhongkai Xue , Xiangru Jian , Lei Zhang , Yaoyao Xu , Xiaozhuang Song , Shu Wu , Tianshu Yu

Graph Neural Networks (GNNs) rely on the graph structure to define an aggregation strategy where each node updates its representation by combining information from its neighbours. A known limitation of GNNs is that, as the number of layers…

机器学习 · 计算机科学 2022-01-19 Davide Buffelli , Fabio Vandin

Graph neural networks (GNNs) are widely used for modelling graph-structured data in numerous applications. However, with their inherently finite aggregation layers, existing GNN models may not be able to effectively capture long-range…

机器学习 · 计算机科学 2022-02-23 Juncheng Liu , Kenji Kawaguchi , Bryan Hooi , Yiwei Wang , Xiaokui Xiao

Graph neural networks (GNNs) excel at predictive tasks on graph-structured data but often lack the ability to incorporate symbolic domain knowledge and perform general reasoning. Relational Bayesian Networks (RBNs), in contrast, enable…

人工智能 · 计算机科学 2025-07-30 Raffaele Pojer , Andrea Passerini , Kim G. Larsen , Manfred Jaeger

Multi-graph learning is crucial for extracting meaningful signals from collections of heterogeneous graphs. However, effectively integrating information across graphs with differing topologies, scales, and semantics, often in the absence of…

机器学习 · 计算机科学 2026-02-02 Zahra Moslemi , Ziyi Liang , Norbert Fortin , Babak Shahbaba

Graphs serve as fundamental descriptors for systems composed of interacting elements, capturing a wide array of data types, from molecular interactions to social networks and knowledge graphs. In this paper, we present an exhaustive review…

机器学习 · 计算机科学 2024-11-13 Chenqing Hua

Deep learning has consistently defied state-of-the-art techniques in many fields over the last decade. However, we are just beginning to understand the capabilities of neural learning in symbolic domains. Deep learning architectures that…

机器学习 · 计算机科学 2020-03-10 Henrique Lemos , Marcelo Prates , Pedro Avelar , Luis Lamb

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

生物大分子 · 定量生物学 2023-10-10 Apakorn Kengkanna , Masahito Ohue

Graph neural networks have shown significant success in the field of graph representation learning. Graph convolutions perform neighborhood aggregation and represent one of the most important graph operations. Nevertheless, one layer of…

机器学习 · 计算机科学 2020-07-21 Meng Liu , Hongyang Gao , Shuiwang Ji