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The study of Graph Neural Networks has received considerable interest in the past few years. By extending deep learning to graph-structured data, GNNs can solve a diverse set of tasks in fields including social science, chemistry, and…

机器学习 · 计算机科学 2024-03-12 Ashwin Nalwade , Kelly Marshall , Axel Eladi , Umang Sharma

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

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…

机器学习 · 计算机科学 2025-01-14 Xiaoyu Li , Yingyu Liang , Zhenmei Shi , Zhao Song , Wei Wang , Jiahao Zhang

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

A hallmark of graph neural networks is their ability to distinguish the isomorphism class of their inputs. This study derives hardness results for the classification variant of graph isomorphism in the message-passing model (MPNN). MPNN…

机器学习 · 计算机科学 2020-10-19 Andreas Loukas

Graph Neural Networks (GNNs) are powerful tools for learning on structured data, yet the relationship between their expressivity and predictive performance remains unclear. We introduce a family of premetrics that capture different degrees…

机器学习 · 计算机科学 2025-05-19 Sohir Maskey , Raffaele Paolino , Fabian Jogl , Gitta Kutyniok , Johannes F. Lutzeyer

Graph Neural Networks (GNNs) have emerged as a promising approach for ``learning to branch'' in Mixed-Integer Linear Programming (MILP). While standard Message-Passing GNNs (MPNNs) are efficient, they theoretically lack the expressive power…

机器学习 · 计算机科学 2025-12-11 Junru Zhou , Yicheng Wang , Pan Li

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

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

We perform the first adversarial robustness study into Graph Neural Networks (GNNs) that are provably more powerful than traditional Message Passing Neural Networks (MPNNs). In particular, we use adversarial robustness as a tool to uncover…

机器学习 · 计算机科学 2024-07-04 Francesco Campi , Lukas Gosch , Tom Wollschläger , Yan Scholten , Stephan Günnemann

The message passing framework is the foundation of the immense success enjoyed by graph neural networks (GNNs) in recent years. In spite of its elegance, there exist many problems it provably cannot solve over given input graphs. This has…

机器学习 · 计算机科学 2022-02-23 Petar Veličković

Message-passing graph neural networks (MPGNNs) dominate modern graph learning. Typical efforts enhance MPGNN's expressive power by enriching the adjacency-based aggregation. In contrast, we introduce an efficient aggregation over walk…

机器学习 · 计算机科学 2025-09-29 Marek Černý

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 neural networks (MPNNs) have become a dominant flavor of graph neural networks (GNNs) in recent years. Yet, MPNNs come with notable limitations; namely, they are at most as powerful as the 1-dimensional Weisfeiler-Leman…

机器学习 · 计算机科学 2022-11-04 Lingxiao Zhao , Louis Härtel , Neil Shah , Leman Akoglu

We investigate the power of message-passing neural networks (MPNNs) in their capacity to transform the numerical features stored in the nodes of their input graphs. Our focus is on global expressive power, uniformly over all input graphs,…

人工智能 · 计算机科学 2022-07-29 Floris Geerts , Jasper Steegmans , Jan Van den Bussche

Graph Neural Networks (GNNs) are the state-of-the-art model for machine learning on graph-structured data. The most popular class of GNNs operate by exchanging information between adjacent nodes, and are known as Message Passing Neural…

Despite significant advances in Graph Neural Networks (GNNs), their limited expressivity remains a fundamental challenge. Research on GNN expressivity has produced many expressive architectures, leading to architecture hierarchies with…

机器学习 · 计算机科学 2025-10-06 Yam Eitan , Moshe Eliasof , Yoav Gelberg , Fabrizio Frasca , Guy Bar-Shalom , Haggai Maron

This paper studies the expressive power of graph neural networks falling within the message-passing framework (GNNmp). Two results are presented. First, GNNmp are shown to be Turing universal under sufficient conditions on their depth,…

机器学习 · 计算机科学 2020-01-29 Andreas Loukas

Graph Neural Networks (GNNs) are widely used to compute representations of node pairs for downstream tasks such as link prediction. Yet, theoretical understanding of their expressive power has focused almost entirely on graph-level…

机器学习 · 计算机科学 2025-07-01 Veronica Lachi , Francesco Ferrini , Antonio Longa , Bruno Lepri , Andrea Passerini , Manfred Jaeger

While message-passing neural networks (MPNNs) have shown promising results, their real-world impact remains limited. Although various limitations have been identified, their theoretical foundations remain poorly understood, leading to…

机器学习 · 计算机科学 2026-02-05 Andreas Roth
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