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Graph Neural Networks (GNNs) have emerged as a dominant paradigm for graph classification. Specifically, most existing GNNs mainly rely on the message passing strategy between neighbor nodes, where the expressivity is limited by the…

机器学习 · 计算机科学 2025-12-12 Lin Du , Lu Bai , Jincheng Li , Lixin Cui , Hangyuan Du , Lichi Zhang , Yuting Chen , Zhao Li

Graph Neural Networks (GNNs) have emerged as formidable resources for processing graph-based information across diverse applications. While the expressive power of GNNs has traditionally been examined in the context of graph-level tasks,…

机器学习 · 计算机科学 2025-03-12 A. Martina Neuman , Rongrong Wang , Yuying Xie

Graph Neural Networks (GNN) are inherently limited in their expressive power. Recent seminal works (Xu et al., 2019; Morris et al., 2019b) introduced the Weisfeiler-Lehman (WL) hierarchy as a measure of expressive power. Although this…

机器学习 · 计算机科学 2023-06-06 Omri Puny , Derek Lim , Bobak T. Kiani , Haggai Maron , Yaron Lipman

We propose and study Hierarchical Ego Graph Neural Networks (HEGNNs), an expressive extension of graph neural networks (GNNs) with hierarchical node individualization, inspired by the Individualization-Refinement paradigm for isomorphism…

机器学习 · 计算机科学 2026-01-26 Arie Soeteman , Balder ten Cate

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

We analyse the power of graph neural networks (GNNs) in terms of Boolean circuit complexity and descriptive complexity. We prove that the graph queries that can be computed by a polynomial-size bounded-depth family of GNNs are exactly those…

计算机科学中的逻辑 · 计算机科学 2024-12-11 Martin Grohe

Graph neural networks (GNNs) are widely believed to excel at node representation learning through trainable neighborhood aggregations. We challenge this view by introducing Fixed Aggregation Features (FAFs), a training-free approach that…

机器学习 · 计算机科学 2026-01-28 Celia Rubio-Madrigal , Rebekka Burkholz

Numerous subgraph-enhanced graph neural networks (GNNs) have emerged recently, provably boosting the expressive power of standard (message-passing) GNNs. However, there is a limited understanding of how these approaches relate to each other…

机器学习 · 计算机科学 2022-10-18 Chendi Qian , Gaurav Rattan , Floris Geerts , Christopher Morris , Mathias Niepert

While graph kernels (GKs) are easy to train and enjoy provable theoretical guarantees, their practical performances are limited by their expressive power, as the kernel function often depends on hand-crafted combinatorial features of…

机器学习 · 计算机科学 2019-11-05 Simon S. Du , Kangcheng Hou , Barnabás Póczos , Ruslan Salakhutdinov , Ruosong Wang , Keyulu Xu

Graph Convolutional Networks (GCNs) have been drawing significant attention with the power of representation learning on graphs. Unlike Convolutional Neural Networks (CNNs), which are able to take advantage of stacking very deep layers,…

机器学习 · 计算机科学 2020-06-16 Guohao Li , Chenxin Xiong , Ali Thabet , Bernard Ghanem

Spectral features are widely incorporated within Graph Neural Networks (GNNs) to improve their expressive power, or their ability to distinguish among non-isomorphic graphs. One popular example is the usage of graph Laplacian eigenvectors…

机器学习 · 计算机科学 2025-09-29 Snir Hordan , Maya Bechler-Speicher , Gur Lifshitz , Nadav Dym

Graph neural networks (GNNs) have limited expressive power, failing to represent many graph classes correctly. While more expressive graph representation learning (GRL) alternatives can distinguish some of these classes, they are…

机器学习 · 计算机科学 2021-12-08 Leonardo Cotta , Christopher Morris , Bruno Ribeiro

We study the approximation power of Graph Neural Networks (GNNs) on latent position random graphs. In the large graph limit, GNNs are known to converge to certain "continuous" models known as c-GNNs, which directly enables a study of their…

机器学习 · 统计学 2021-06-01 Nicolas Keriven , Alberto Bietti , Samuel Vaiter

Graph convolutional neural networks (GCNNs) have been attracting increasing research attention due to its great potential in inference over graph structures. However, insufficient effort has been devoted to the aggregation methods between…

机器学习 · 计算机科学 2019-05-15 Penghui Sun , Jingwei Qu , Xiaoqing Lyu , Haibin Ling , Zhi Tang

Graph neural networks (GNNs) are often used for the task of link prediction: predicting missing binary facts in knowledge graphs (KGs). To address the lack of explainability of GNNs on KGs, recent works extract Datalog rules from GNNs with…

机器学习 · 计算机科学 2025-08-21 Matthew Morris , David J. Tena Cucala , Bernardo Cuenca Grau

Graph neural networks (GNNs) have been shown to be highly sensitive to the choice of aggregation function. While summing over a node's neighbours can approximate any permutation-invariant function over discrete inputs, Cohen-Karlik et al.…

机器学习 · 计算机科学 2022-12-19 Euan Ong , Petar Veličković

Graph neural networks (GNNs) have been widely used to predict properties and heuristics of mixed-integer linear programs (MILPs) and hence accelerate MILP solvers. This paper investigates the capacity of GNNs to represent strong branching…

机器学习 · 计算机科学 2025-01-09 Ziang Chen , Jialin Liu , Xiaohan Chen , Xinshang Wang , Wotao Yin

Graph Neural Networks (GNNs) have risen to prominence in learning representations for graph structured data. A single GNN layer typically consists of a feature transformation and a feature aggregation operation. The former normally uses…

机器学习 · 计算机科学 2021-10-19 Yao Ma , Xiaorui Liu , Tong Zhao , Yozen Liu , Jiliang Tang , Neil Shah

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

In this paper we study the stability properties of aggregation graph neural networks (Agg-GNNs) considering perturbations of the underlying graph. An Agg-GNN is a hybrid architecture where information is defined on the nodes of a graph, but…

机器学习 · 计算机科学 2023-08-24 Alejandro Parada-Mayorga , Zhiyang Wang , Fernando Gama , Alejandro Ribeiro