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相关论文: On Structural Expressive Power of Graph Transforme…

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Graph data, with its structurally variable nature, represents complex real-world phenomena like chemical compounds, protein structures, and social networks. Traditional Graph Neural Networks (GNNs) primarily utilize the message-passing…

机器学习 · 计算机科学 2025-02-05 Jianming Huang , Hiroyuki Kasai

The expressive power of graph neural networks (GNNs) is typically understood through their correspondence with graph isomorphism tests such as the Weisfeiler-Leman (WL) hierarchy. While more expressive GNNs can distinguish a richer set of…

Graph problems are fundamentally challenging for large language models (LLMs). While LLMs excel at processing unstructured text, graph tasks require reasoning over explicit structure, permutation invariance, and computationally complex…

机器学习 · 计算机科学 2026-04-23 Angelo Zangari , Peyman Baghershahi , Sourav Medya

Signed Graph Neural Networks (SGNNs) have been shown to be effective in analyzing complex patterns in real-world situations where positive and negative links coexist. However, SGNN models suffer from poor explainability, which limit their…

机器学习 · 计算机科学 2024-12-13 Lu Li , Jiale Liu , Xingyu Ji , Maojun Wang , Zeyu Zhang

In recent years, a wide variety of graph neural network (GNN) architectures have emerged, each with its own strengths, weaknesses, and complexities. Various techniques, including rewiring, lifting, and node annotation with centrality…

机器学习 · 计算机科学 2024-10-14 Zhifei Li , Gerrit Großmann , Verena Wolf

Graph Neural Networks (GNNs) have emerged as a powerful category of learning architecture for handling graph-structured data. However, existing GNNs typically ignore crucial structural characteristics in node-induced subgraphs, which thus…

机器学习 · 计算机科学 2023-06-13 Kaixuan Chen , Shunyu Liu , Tongtian Zhu , Tongya Zheng , Haofei Zhang , Zunlei Feng , Jingwen Ye , Mingli Song

Positional Encodings (PEs) are essential for injecting structural information into Graph Neural Networks (GNNs), particularly Graph Transformers, yet their empirical impact remains insufficiently understood. We introduce a unified…

机器学习 · 计算机科学 2026-01-15 Florian Grötschla , Jiaqing Xie , Roger Wattenhofer

Graph neural networks (GNNs) can effectively model structural information of graphs, making them widely used in knowledge graph (KG) reasoning. However, existing studies on the expressive power of GNNs mainly focuses on simple…

人工智能 · 计算机科学 2026-02-02 Han Yu , Xiaojuan Zhao , Aiping Li , Kai Chen , Ziniu Liu , Zhichao Peng

The most popular design paradigm for Graph Neural Networks (GNNs) is 1-hop message passing -- aggregating information from 1-hop neighbors repeatedly. However, the expressive power of 1-hop message passing is bounded by the…

机器学习 · 计算机科学 2023-01-09 Jiarui Feng , Yixin Chen , Fuhai Li , Anindya Sarkar , Muhan Zhang

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

It is well established that spectral graph neural networks (GNNs) can universally approximate node signals; however, their expressive power remains bounded by the 1-dimensional Weisfeiler-Lehman test, which is mirrored in their lack of…

机器学习 · 计算机科学 2026-05-26 Xiaohan Wang , Deyu Bo , Longlong Li , Kelin Xia

Message passing Graph Neural Networks (GNNs) provide a powerful modeling framework for relational data. However, the expressive power of existing GNNs is upper-bounded by the 1-Weisfeiler-Lehman (1-WL) graph isomorphism test, which means…

机器学习 · 计算机科学 2021-02-08 Jiaxuan You , Jonathan Gomes-Selman , Rex Ying , Jure Leskovec

Link prediction is one important application of graph neural networks (GNNs). Most existing GNNs for link prediction are based on one-dimensional Weisfeiler-Lehman (1-WL) test. 1-WL-GNNs first compute node representations by iteratively…

机器学习 · 计算机科学 2022-06-22 Yang Hu , Xiyuan Wang , Zhouchen Lin , Pan Li , Muhan Zhang

The Weisfeiler-Leman (WL) algorithms form a family of incomplete approaches to the graph isomorphism problem. They recently found various applications in algorithmic group theory and machine learning. In fact, the algorithms form a…

离散数学 · 计算机科学 2025-10-29 Thomas Schneider , Pascal Schweitzer

A hypergraph consists of a set of nodes along with a collection of subsets of the nodes called hyperedges. Higher-order link prediction is the task of predicting the existence of a missing hyperedge in a hypergraph. A hyperedge…

机器学习 · 计算机科学 2024-12-04 Simon Zhang , Cheng Xin , Tamal K. Dey

Graph transformers extend global self-attention to graph-structured data, achieving notable success in graph learning. Recently, random walk structural encoding (RWSE) has been found to further enhance their predictive power by encoding…

机器学习 · 计算机科学 2025-06-03 Louis Airale , Antonio Longa , Mattia Rigon , Andrea Passerini , Roberto Passerone

Recently, Transformers for graph representation learning have become increasingly popular, achieving state-of-the-art performance on a wide-variety of graph datasets, either alone or in combination with message-passing graph neural networks…

机器学习 · 计算机科学 2024-05-07 Ayush Garg

Graph Neural Networks (GNNs) are de facto solutions to structural data learning. However, it is susceptible to low-quality and unreliable structure, which has been a norm rather than an exception in real-world graphs. Existing graph…

机器学习 · 计算机科学 2023-03-20 Dongcheng Zou , Hao Peng , Xiang Huang , Renyu Yang , Jianxin Li , Jia Wu , Chunyang Liu , Philip S. Yu

Graph limit models, like graphons for limits of dense graphs, have recently been used to study size transferability of graph neural networks (GNNs). While most literature focuses on message passing GNNs (MPNNs), in this work we attend to…

机器学习 · 计算机科学 2025-05-20 Daniel Herbst , Stefanie Jegelka

In this paper, we study the graph isomorphism and graph automorphism problems. We propose a novel technique to analyze graph isomorphism and graph automorphism. Further we handled some strongly regular datasets for prove the efficiency of…

组合数学 · 数学 2019-06-19 Sivakumar Karunakaran , Lavanya Selvaganesh