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In recent years, algorithms and neural architectures based on the Weisfeiler-Leman algorithm, a well-known heuristic for the graph isomorphism problem, emerged as a powerful tool for (supervised) machine learning with graphs and relational…

机器学习 · 计算机科学 2021-11-23 Christopher Morris , Matthias Fey , Nils M. Kriege

The $k$-dimensional Weisfeiler-Leman algorithm ($k$-WL) is a very useful combinatorial tool in graph isomorphism testing. We address the applicability of $k$-WL to recognition of graph properties. Let $G$ be an input graph with $n$…

组合数学 · 数学 2020-07-31 Frank Fuhlbrück , Johannes Köbler , Ilia Ponomarenko , Oleg Verbitsky

Graph neural network (GNN)'s success in graph classification is closely related to the Weisfeiler-Lehman (1-WL) algorithm. By iteratively aggregating neighboring node features to a center node, both 1-WL and GNN obtain a node representation…

机器学习 · 计算机科学 2021-10-27 Muhan Zhang , Pan Li

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 propose a Graph Neural Network with greater expressive power than commonly used GNNs - not constrained to only differentiate between graphs that Weisfeiler-Lehman test recognizes to be non-isomorphic. We use a graph attention network…

机器学习 · 计算机科学 2020-04-14 Stanisław Purgał

Graph Neural Networks (GNNs) have demonstrated superior performance on various graph learning tasks, including recommendation, where they leverage user-item collaborative filtering signals in graphs. However, theoretical formulations of…

信息检索 · 计算机科学 2023-09-19 Xuheng Cai , Lianghao Xia , Xubin Ren , Chao Huang

Graph neural networks (GNNs) use graph convolutions to exploit network invariances and learn meaningful feature representations from network data. However, on large-scale graphs convolutions incur in high computational cost, leading to…

机器学习 · 计算机科学 2022-06-29 Juan Cervino , Luana Ruiz , Alejandro Ribeiro

Graph neural networks (GNNs) are effective machine learning models for many graph-related applications. Despite their empirical success, many research efforts focus on the theoretical limitations of GNNs, i.e., the GNNs expressive power.…

机器学习 · 计算机科学 2025-01-13 Bingxu Zhang , Changjun Fan , Shixuan Liu , Kuihua Huang , Xiang Zhao , Jincai Huang , Zhong Liu

Graph neural network architectures aligned with the $k$-dimensional Weisfeiler--Leman ($k$-WL) hierarchy offer theoretically well-understood expressive power. However, these architectures often fail to deliver state-of-the-art predictive…

机器学习 · 计算机科学 2024-06-06 Luis Müller , Christopher Morris

The ability of graph neural networks (GNNs) to count certain graph substructures, especially cycles, is important for the success of GNNs on a wide range of tasks. It has been recently used as a popular metric for evaluating the expressive…

机器学习 · 计算机科学 2024-01-12 Junru Zhou , Jiarui Feng , Xiyuan Wang , Muhan Zhang

Subgraph counting is a fundamental task for analyzing structural patterns in graph-structured data, with important applications in domains such as computational biology and social network analysis, where recurring motifs reveal functional…

机器学习 · 计算机科学 2025-12-02 Shubhajit Roy , Shrutimoy Das , Binita Maity , Anant Kumar , Anirban Dasgupta

The $k$-dimensional Weisfeiler-Leman procedure ($k$-WL), which colors $k$-tuples of vertices in rounds based on the neighborhood structure in the graph, has proven to be immensely fruitful in the algorithmic study of Graph Isomorphism. More…

计算复杂性 · 计算机科学 2020-06-08 V. Arvind , Frank Fuhlbrück , Johannes Köbler , Oleg Verbitsky

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

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

We present results concerning the expressiveness and decidability of a popular graph learning formalism, graph neural networks (GNNs), exploiting connections with logic. We use a family of recently-discovered decidable logics involving…

计算机科学中的逻辑 · 计算机科学 2025-01-31 Michael Benedikt , Chia-Hsuan Lu , Tony Tan

Convolutional neural networks (CNNs) leverage the great power in representation learning on regular grid data such as image and video. Recently, increasing attention has been paid on generalizing CNNs to graph or network data which is…

社会与信息网络 · 计算机科学 2018-08-21 Yao Ma , Suhang Wang , Charu C. Aggarwal , Dawei Yin , Jiliang Tang

The Weisfeiler-Leman (WL) dimension of a graph parameter $f$ is the minimum $k$ such that, if $G_1$ and $G_2$ are indistinguishable by the $k$-dimensional WL-algorithm then $f(G_1)=f(G_2)$. The WL-dimension of $f$ is $\infty$ if no such $k$…

离散数学 · 计算机科学 2024-03-12 Andreas Göbel , Leslie Ann Goldberg , Marc Roth

Machine learning on graphs, especially using graph neural networks (GNNs), has seen a surge in interest due to the wide availability of graph data across a broad spectrum of disciplines, from life to social and engineering sciences. Despite…

Theoretical studies on the representation power of GNNs have been centered around understanding the equivalence of GNNs, using WL-Tests for detecting graph isomorphism. In this paper, we argue that such equivalence ignores the accompanying…

机器学习 · 计算机科学 2024-08-26 P. Krishna Kumar a , Harish G. Ramaswamy

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