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Graph representation learning has become a crucial task in machine learning and data mining due to its potential for modeling complex structures such as social networks, chemical compounds, and biological systems. Spiking neural networks…

人工智能 · 计算机科学 2024-03-27 Huifeng Yin , Mingkun Xu , Jing Pei , Lei Deng

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

The Transformer architecture has achieved remarkable success in a number of domains including natural language processing and computer vision. However, when it comes to graph-structured data, transformers have not achieved competitive…

机器学习 · 计算机科学 2022-10-11 Zaixi Zhang , Qi Liu , Qingyong Hu , Chee-Kong Lee

Graph Transformers (GTs) have emerged as a promising graph learning tool, leveraging their all-pair connected property to effectively capture global information. To address the over-smoothing problem in deep GNNs, global attention was…

机器学习 · 计算机科学 2025-12-17 Chaohao Yuan , Zhenjie Song , Ercan Engin Kuruoglu , Kangfei Zhao , Yang Liu , Deli Zhao , Hong Cheng , Yu Rong

Learning node representations that incorporate information from graph structure benefits wide range of tasks on graph. The majority of existing graph neural networks (GNNs) have limited power in capturing position information for a given…

机器学习 · 计算机科学 2021-06-15 Yuheng Lu , Jinpeng Chen , ChuXiong Sun , Jie Hu

Graph transformers have emerged as a promising architecture for a variety of graph learning and representation tasks. Despite their successes, though, it remains challenging to scale graph transformers to large graphs while maintaining…

机器学习 · 计算机科学 2023-07-25 Hamed Shirzad , Ameya Velingker , Balaji Venkatachalam , Danica J. Sutherland , Ali Kemal Sinop

Graph Neural Networks (GNNs) are powerful to learn the representation of graph-structured data. Most of the GNNs use the message-passing scheme, where the embedding of a node is iteratively updated by aggregating the information of its…

机器学习 · 计算机科学 2020-07-28 Shuo Zhang , Lei Xie

Constructing appropriate representations of molecules lies at the core of numerous tasks such as material science, chemistry and drug designs. Recent researches abstract molecules as attributed graphs and employ graph neural networks (GNN)…

机器学习 · 计算机科学 2021-07-29 Jianwen Chen , Shuangjia Zheng , Ying Song , Jiahua Rao , Yuedong Yang

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

Graph Neural Networks are notorious for its memory consumption. A recent Transformer-based GNN called Graph Transformer is shown to obtain superior performances when long range dependencies exist. However, combining graph data and…

机器学习 · 计算机科学 2024-03-25 Eugene Ku

Graph Transformers (GTs) such as SAN and GPS are graph processing models that combine Message-Passing GNNs (MPGNNs) with global Self-Attention. They were shown to be universal function approximators, with two reservations: 1. The initial…

机器学习 · 计算机科学 2024-05-21 Eran Rosenbluth , Jan Tönshoff , Martin Ritzert , Berke Kisin , Martin Grohe

Recent studies have highlighted the limitations of message-passing based graph neural networks (GNNs), e.g., limited model expressiveness, over-smoothing, over-squashing, etc. To alleviate these issues, Graph Transformers (GTs) have been…

机器学习 · 计算机科学 2023-03-06 Qiheng Mao , Zemin Liu , Chenghao Liu , Jianling Sun

Graph Neural Networks (GNNs) have led to state-of-the-art performance on a variety of machine learning tasks such as recommendation, node classification and link prediction. Graph neural network models generate node embeddings by merging…

机器学习 · 计算机科学 2020-11-04 Yunpeng Weng , Xu Chen , Liang Chen , Wei Liu

Transformers flexibly operate over sets of real-valued vectors representing task-specific entities and their attributes, where each vector might encode one word-piece token and its position in a sequence, or some piece of information that…

机器学习 · 计算机科学 2023-03-14 Cameron Diao , Ricky Loynd

Subgraph GNNs enhance message-passing GNNs expressivity by representing graphs as sets of subgraphs, demonstrating impressive performance across various tasks. However, their scalability is hindered by the need to process large numbers of…

机器学习 · 计算机科学 2025-06-02 Guy Bar-Shalom , Yam Eitan , Fabrizio Frasca , Haggai Maron

As the emerging trend of graph-based deep learning, Graph Neural Networks (GNNs) excel for their capability to generate high-quality node feature vectors (embeddings). However, the existing one-size-fits-all GNN implementations are…

分布式、并行与集群计算 · 计算机科学 2021-06-22 Yuke Wang , Boyuan Feng , Gushu Li , Shuangchen Li , Lei Deng , Yuan Xie , Yufei Ding

Graphs are widely used to model relational data. As graphs are getting larger and larger in real-world scenarios, there is a trend to store and compute subgraphs in multiple local systems. For example, recently proposed \emph{subgraph…

机器学习 · 计算机科学 2024-01-30 Zaixi Zhang , Qingyong Hu , Yang Yu , Weibo Gao , Qi Liu

Simulating physics using Graph Neural Networks (GNNs) is predominantly driven by message-passing architectures, which face challenges in scaling and efficiency, particularly in handling large, complex meshes. These architectures have…

机器学习 · 计算机科学 2025-08-26 Paul Garnier , Vincent Lannelongue , Jonathan Viquerat , Elie Hachem

We establish connections between the Transformer architecture, originally introduced for natural language processing, and Graph Neural Networks (GNNs) for representation learning on graphs. We show how Transformers can be viewed as message…

机器学习 · 计算机科学 2025-06-30 Chaitanya K. Joshi

Hypergraphs, with their capacity to depict high-order relationships, have emerged as a significant extension of traditional graphs. Although Graph Neural Networks (GNNs) have remarkable performance in graph representation learning, their…

机器学习 · 计算机科学 2024-11-07 Khaled Mohammed Saifuddin , Mehmet Emin Aktas , Esra Akbas