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Graph neural networks (GNNs) have demonstrated their effectiveness in various tasks supported by their generalization capabilities. However, the current analysis of GNN generalization relies on the assumption that training and testing data…

机器学习 · 计算机科学 2024-09-11 Zhiyang Wang , Juan Cervino , Alejandro Ribeiro

Graph Neural Networks (GNNs) extend convolutional neural networks to operate on graphs. Despite their impressive performances in various graph learning tasks, the theoretical understanding of their generalization capability is still…

机器学习 · 计算机科学 2025-06-10 Zhiyang Wang , Juan Cervino , Alejandro Ribeiro

Graph Neural Networks (GNNs) have gained popularity in various learning tasks, with successful applications in fields like molecular biology, transportation systems, and electrical grids. These fields naturally use graph data, benefiting…

机器学习 · 计算机科学 2024-09-23 Caio F. Deberaldini Netto , Zhiyang Wang , Luana Ruiz

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

Message passing neural networks (MPNN) have seen a steep rise in popularity since their introduction as generalizations of convolutional neural networks to graph-structured data, and are now considered state-of-the-art tools for solving a…

机器学习 · 计算机科学 2022-08-05 Sohir Maskey , Ron Levie , Yunseok Lee , Gitta Kutyniok

Despite the celebrated popularity of Graph Neural Networks (GNNs) across numerous applications, the ability of GNNs to generalize remains less explored. In this work, we propose to study the generalization of GNNs through a novel…

机器学习 · 计算机科学 2024-04-17 Shouheng Li , Dongwoo Kim , Qing Wang

We analyze the universality and generalization of graph neural networks (GNNs) on attributed graphs, i.e., with node attributes. To this end, we propose pseudometrics over the space of all attributed graphs that describe the fine-grained…

机器学习 · 计算机科学 2025-08-27 Levi Rauchwerger , Stefanie Jegelka , Ron Levie

Graph neural networks (GNNs), as the de-facto model class for representation learning on graphs, are built upon the multi-layer perceptrons (MLP) architecture with additional message passing layers to allow features to flow across nodes.…

机器学习 · 计算机科学 2023-08-07 Chenxiao Yang , Qitian Wu , Jiahua Wang , Junchi Yan

We study the generalization capabilities of Message Passing Neural Networks (MPNNs), a prevalent class of Graph Neural Networks (GNN). We derive generalization bounds specifically for MPNNs with normalized sum aggregation and mean…

机器学习 · 计算机科学 2024-04-05 Sohir Maskey , Gitta Kutyniok , Ron Levie

Message-passing graph neural networks (MPNNs) have emerged as the leading approach for machine learning on graphs, attracting significant attention in recent years. While a large set of works explored the expressivity of MPNNs, i.e., their…

机器学习 · 计算机科学 2025-03-21 Antonis Vasileiou , Stefanie Jegelka , Ron Levie , Christopher Morris

Graph Neural Networks (GNN) are currently the most popular approach for learning and prediction on graph-structured data and are deployed in various fields, from social network analysis to drug discovery. However, there is limited…

统计方法学 · 统计学 2026-05-26 Nil Ayday , Mahalakshmi Sabanayagam , Debarghya Ghoshdastidar

We propose a graph semi-supervised learning framework for classification tasks on data manifolds. Motivated by the manifold hypothesis, we model data as points sampled from a low-dimensional manifold $\mathcal{M} \subset \mathbb{R}^F$. The…

机器学习 · 计算机科学 2025-11-03 Caio F. Deberaldini Netto , Zhiyang Wang , Luana Ruiz

The expressive power of message-passing graph neural networks (MPNNs) is reasonably well understood, primarily through combinatorial techniques from graph isomorphism testing. However, MPNNs' generalization abilities -- making meaningful…

机器学习 · 计算机科学 2024-12-11 Antonis Vasileiou , Ben Finkelshtein , Floris Geerts , Ron Levie , Christopher Morris

Understanding how neural networks generalize on unseen data is crucial for designing more robust and reliable models. In this paper, we study the generalization gap of neural networks using methods from topological data analysis. For this…

Although graph neural networks (GNNs) have made great progress recently on learning from graph-structured data in practice, their theoretical guarantee on generalizability remains elusive in the literature. In this paper, we provide a…

机器学习 · 计算机科学 2020-06-26 Shuai Zhang , Meng Wang , Sijia Liu , Pin-Yu Chen , Jinjun Xiong

Graph neural networks (GNNs) have demonstrated remarkable capabilities in learning from graph-structured data, often outperforming traditional Multilayer Perceptrons (MLPs) in numerous graph-based tasks. Although existing works have…

机器学习 · 计算机科学 2025-06-09 Wei Huang , Yuan Cao , Haonan Wang , Xin Cao , Taiji Suzuki

Graph convolutional networks (GCNs) have recently achieved great empirical success in learning graph-structured data. To address its scalability issue due to the recursive embedding of neighboring features, graph topology sampling has been…

机器学习 · 计算机科学 2023-12-12 Hongkang Li , Meng Wang , Sijia Liu , Pin-Yu Chen , Jinjun Xiong

Many scientific problems require to process data in the form of geometric graphs. Unlike generic graph data, geometric graphs exhibit symmetries of translations, rotations, and/or reflections. Researchers have leveraged such inductive bias…

机器学习 · 计算机科学 2022-02-23 Jiaqi Han , Yu Rong , Tingyang Xu , Wenbing Huang

Graph neural networks (GNNs) have emerged as a fundamental tool for learning from graph-structured data, achieving strong performance across a wide range of applications. However, understanding their generalization capabilities remains…

机器学习 · 计算机科学 2026-05-14 Peiyao Wang , Liang Bai , Xian Yang , Richard Yi Da Xu , Jiye Liang

Expressivity and generalization are two critical aspects of graph neural networks (GNNs). While significant progress has been made in studying the expressivity of GNNs, much less is known about their generalization capabilities,…

机器学习 · 计算机科学 2024-10-15 Shouheng Li , Floris Geerts , Dongwoo Kim , Qing Wang
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