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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…

机器学习 · 统计学 2020-01-16 Petar Veličković , Rex Ying , Matilde Padovano , Raia Hadsell , Charles Blundell

Time, cost, and energy efficiency are critical considerations in Deep-Learning (DL), particularly when processing long texts. Transformers, which represent the current state of the art, exhibit quadratic computational complexity relative to…

计算与语言 · 计算机科学 2025-07-11 Fardin Rastakhiz

Graph neural networks (GNNs) are learning architectures that rely on knowledge of the graph structure to generate meaningful representations of large-scale network data. GNN stability is thus important as in real-world scenarios there are…

机器学习 · 计算机科学 2021-04-27 Luana Ruiz , Zhiyang Wang , Alejandro Ribeiro

Graph neural networks (GNNs) model nonlinear representations in graph data with applications in distributed agent coordination, control, and planning among others. Current GNN architectures assume ideal scenarios and ignore link…

信号处理 · 电气工程与系统科学 2021-09-01 Zhan Gao , Elvin Isufi , Alejandro Ribeiro

We analyze the performance of graph neural network (GNN) architectures from the perspective of random graph theory. Our approach promises to complement existing lenses on GNN analysis, such as combinatorial expressive power and worst-case…

机器学习 · 计算机科学 2023-10-12 Drake Brown , Trevor Garrity , Kaden Parker , Jason Oliphant , Stone Carson , Cole Hanson , Zachary Boyd

Over the last few years, we have witnessed the availability of an increasing data generated from non-Euclidean domains, which are usually represented as graphs with complex relationships, and Graph Neural Networks (GNN) have gained a high…

机器学习 · 计算机科学 2023-08-15 Andrea Apicella , Francesco Isgrò , Andrea Pollastro , Roberto Prevete

Dynamical systems consisting of a set of autonomous agents face the challenge of having to accomplish a global task, relying only on local information. While centralized controllers are readily available, they face limitations in terms of…

机器学习 · 计算机科学 2022-03-24 Fernando Gama , Qingbiao Li , Ekaterina Tolstaya , Amanda Prorok , Alejandro Ribeiro

Graph neural networks (GNNs) emerge as a powerful family of representation learning models on graphs. To derive node representations, they utilize a global model that recursively aggregates information from the neighboring nodes. However,…

机器学习 · 计算机科学 2021-11-04 Zemin Liu , Yuan Fang , Chenghao Liu , Steven C. H. Hoi

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…

机器学习 · 计算机科学 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

Dynamic graphs provide a flexible data abstraction for modelling many sorts of real-world systems, such as transport, trade, and social networks. Graph neural networks (GNNs) are powerful tools allowing for different kinds of prediction and…

机器学习 · 统计学 2025-03-27 Ed Davis , Ian Gallagher , Daniel John Lawson , Patrick Rubin-Delanchy

Graph convolutional networks (GCNs) are powerful deep neural networks for graph-structured data. However, GCN computes the representation of a node recursively from its neighbors, making the receptive field size grow exponentially with the…

机器学习 · 统计学 2018-03-02 Jianfei Chen , Jun Zhu , Le Song

Learning representations on large-sized graphs is a long-standing challenge due to the inter-dependence nature involved in massive data points. Transformers, as an emerging class of foundation encoders for graph-structured data, have shown…

机器学习 · 计算机科学 2024-08-19 Qitian Wu , Wentao Zhao , Chenxiao Yang , Hengrui Zhang , Fan Nie , Haitian Jiang , Yatao Bian , Junchi Yan

Graph neural networks (GNNs) is widely used to learn a powerful representation of graph-structured data. Recent work demonstrates that transferring knowledge from self-supervised tasks to downstream tasks could further improve graph…

机器学习 · 计算机科学 2021-07-21 Xueting Han , Zhenhuan Huang , Bang An , Jing Bai

Graph neural networks (GNNs) are widely used for learning node embeddings in graphs, typically adopting a message-passing scheme. This approach, however, leads to the neighbor explosion problem, with exponentially growing computational and…

机器学习 · 计算机科学 2025-07-08 Zichao Yue , Chenhui Deng , Zhiru Zhang

Temporal Graph Networks (TGNs) have demonstrated significant success in dynamic graph tasks such as link prediction and node classification. Both tasks comprise transductive settings, where the model predicts links among known nodes, and in…

机器学习 · 计算机科学 2025-04-16 Jiafeng Xiong , Rizos Sakellariou

Graph Neural Networks (GNNs) are powerful tools for addressing learning problems on graph structures, with a wide range of applications in molecular biology and social networks. However, the theoretical foundations underlying their…

机器学习 · 计算机科学 2025-01-27 Dhiraj Patel , Anton Savostianov , Michael T. Schaub

Graph Neural Networks (GNNs) are powerful machine learning models that excel at analyzing structured data represented as graphs, demonstrating remarkable performance in applications like social network analysis and recommendation systems.…

量子物理 · 物理学 2024-05-28 Yidong Liao , Xiao-Ming Zhang , Chris Ferrie

Graph Neural Networks (GNNs), a generalization of deep neural networks on graph data have been widely used in various domains, ranging from drug discovery to recommender systems. However, GNNs on such applications are limited when there are…

机器学习 · 计算机科学 2021-11-09 Debmalya Mandal , Sourav Medya , Brian Uzzi , Charu Aggarwal

Machine learning on graphs has recently found extensive applications across domains. However, the commonly used Message Passing Neural Networks (MPNNs) suffer from limited expressive power and struggle to capture long-range dependencies.…

机器学习 · 计算机科学 2024-10-07 Yinan Huang , Siqi Miao , Pan Li

Positional and structural encodings (PSE) enable better identifiability of nodes within a graph, rendering them essential tools for empowering modern GNNs, and in particular graph Transformers. However, designing PSEs that work optimally…

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