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Recently the Transformer structure has shown good performances in graph learning tasks. However, these Transformer models directly work on graph nodes and may have difficulties learning high-level information. Inspired by the vision…

机器学习 · 计算机科学 2023-04-11 Han Gao , Xu Han , Jiaoyang Huang , Jian-Xun Wang , Li-Ping Liu

Graph Neural Networks (GNNs) have emerged as the de facto standard for modeling graph data, with attention mechanisms and transformers significantly enhancing their performance on graph-based tasks. Despite these advancements, the…

机器学习 · 计算机科学 2025-04-07 Nikhil Shivakumar Nayak

The Transformer architecture has become a dominant choice in many domains, such as natural language processing and computer vision. Yet, it has not achieved competitive performance on popular leaderboards of graph-level prediction compared…

机器学习 · 计算机科学 2021-11-25 Chengxuan Ying , Tianle Cai , Shengjie Luo , Shuxin Zheng , Guolin Ke , Di He , Yanming Shen , Tie-Yan Liu

Graph Neural Networks (GNNs) have emerged as powerful tools for learning on graph-structured data, but often struggle to balance local and global information. While graph Transformers aim to address this by enabling long-range interactions,…

机器学习 · 计算机科学 2025-11-18 Jeongwhan Choi , Seungjun Park , Sumin Park , Sung-Bae Cho , Noseong Park

Real-world graphs naturally exhibit hierarchical or cyclical structures that are unfit for the typical Euclidean space. While there exist graph neural networks that leverage hyperbolic or spherical spaces to learn representations that embed…

机器学习 · 计算机科学 2023-09-11 Sungjun Cho , Seunghyuk Cho , Sungwoo Park , Hankook Lee , Honglak Lee , Moontae Lee

Spectral Graph Neural Network is a kind of Graph Neural Network (GNN) based on graph signal filters. Some models able to learn arbitrary spectral filters have emerged recently. However, few works analyze the expressive power of spectral…

机器学习 · 计算机科学 2022-06-20 Xiyuan Wang , Muhan Zhang

Including intricate topological information (e.g., cycles) provably enhances the expressivity of message-passing graph neural networks (GNNs) beyond the Weisfeiler-Leman (WL) hierarchy. Consequently, Persistent Homology (PH) methods are…

机器学习 · 计算机科学 2026-02-05 Mattie Ji , Amauri H. Souza , Vikas Garg

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

A common issue in Graph Neural Networks (GNNs) is known as over-smoothing. By increasing the number of iterations within the message-passing of GNNs, the nodes' representations of the input graph align with each other and become…

机器学习 · 计算机科学 2021-10-22 Christian M. M. Frey , Yunpu Ma , Matthias Schubert

This work provides a comprehensive analysis and interpretation of the graph spectral representation of traffic scenarios. Based on a spatio-temporal vehicle interaction graph, an observed traffic scenario can be transformed into the graph…

人工智能 · 计算机科学 2023-10-02 Marion Neumeier , Sebastian Dorn , Michael Botsch , Wolfgang Utschick

Graph neural networks (GNNs) have attracted considerable attention from the research community. It is well established that GNNs are usually roughly divided into spatial and spectral methods. Despite that spectral GNNs play an important…

机器学习 · 计算机科学 2023-02-14 Deyu Bo , Xiao Wang , Yang Liu , Yuan Fang , Yawen Li , Chuan Shi

Learning representations on large-sized graphs is a long-standing challenge due to the inter-dependence nature involved in massive data points. Transformers, as an emerging class of foundation encoders for graph-structured data, have shown…

机器学习 · 计算机科学 2024-08-19 Qitian Wu , Wentao Zhao , Chenxiao Yang , Hengrui Zhang , Fan Nie , Haitian Jiang , Yatao Bian , Junchi Yan

Graph neural networks (GNNs), and especially message-passing neural networks, excel in various domains such as physics, drug discovery, and molecular modeling. The expressivity of GNNs with respect to their ability to discriminate…

The Transformer is a sequence model that forgoes traditional recurrent architectures in favor of a fully attention-based approach. Besides improving performance, an advantage of using attention is that it can also help to interpret a model…

人机交互 · 计算机科学 2019-06-14 Jesse Vig

This paper aims at revisiting Graph Convolutional Neural Networks by bridging the gap between spectral and spatial design of graph convolutions. We theoretically demonstrate some equivalence of the graph convolution process regardless it is…

机器学习 · 计算机科学 2020-03-27 Muhammet Balcilar , Guillaume Renton , Pierre Heroux , Benoit Gauzere , Sebastien Adam , Paul Honeine

Graph Transformers (GTs) have demonstrated superior performance compared to traditional message-passing graph neural networks in many studies, especially in processing graph data with long-range dependencies. However, GTs tend to suffer…

机器学习 · 计算机科学 2025-04-30 Zhonghao Li , Ji Shi , Xinming Zhang , Miao Zhang , Bo Li

Graph Transformers (GTs) have significantly advanced the field of graph representation learning by overcoming the limitations of message-passing graph neural networks (GNNs) and demonstrating promising performance and expressive power.…

机器学习 · 计算机科学 2024-05-07 Wenhao Zhu , Guojie Song , Liang Wang , Shaoguo Liu

As graph representation learning often suffers from label scarcity problems in real-world applications, researchers have proposed graph domain adaptation (GDA) as an effective knowledge-transfer paradigm across graphs. In particular, to…

机器学习 · 计算机科学 2024-12-31 Boshen Shi , Yongqing Wang , Fangda Guo , Bingbing Xu , Huawei Shen , Xueqi Cheng

By incorporating the graph structural information into Transformers, graph Transformers have exhibited promising performance for graph representation learning in recent years. Existing graph Transformers leverage specific strategies, such…

机器学习 · 计算机科学 2022-11-16 Gaichao Li , Jinsong Chen , Kun He

Graph spectra are an important class of structural features on graphs that have shown promising results in enhancing Graph Neural Networks (GNNs). Despite their widespread practical use, the theoretical understanding of the power of…

机器学习 · 计算机科学 2025-03-04 Jingchu Gai , Yiheng Du , Bohang Zhang , Haggai Maron , Liwei Wang