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Spatial networks are networks whose graph topology is constrained by their embedded spatial space. Understanding the coupled spatial-graph properties is crucial for extracting powerful representations from spatial networks. Therefore,…

Machine Learning · Computer Science 2024-01-11 Zheng Zhang , Sirui Li , Jingcheng Zhou , Junxiang Wang , Abhinav Angirekula , Allen Zhang , Liang Zhao

Transformers have recently emerged as powerful neural networks for graph learning, showcasing state-of-the-art performance on several graph property prediction tasks. However, these results have been limited to small-scale graphs, where the…

Machine Learning · Computer Science 2023-12-19 Vijay Prakash Dwivedi , Yozen Liu , Anh Tuan Luu , Xavier Bresson , Neil Shah , Tong Zhao

In heterogeneous graphs, we can observe complex structures such as tree-like or hierarchical structures. Recently, the hyperbolic space has been widely adopted in many studies to effectively learn these complex structures. Although these…

Machine Learning · Computer Science 2026-01-14 Jongmin Park , Seunghoon Han , Hyewon Lee , Won-Yong Shin , Sungsu Lim

The Transformer architecture has gained growing attention in graph representation learning recently, as it naturally overcomes several limitations of graph neural networks (GNNs) by avoiding their strict structural inductive biases and…

Machine Learning · Statistics 2022-06-14 Dexiong Chen , Leslie O'Bray , Karsten Borgwardt

Graph Transformers have garnered significant attention for learning graph-structured data, thanks to their superb ability to capture long-range dependencies among nodes. However, the quadratic space and time complexity hinders the…

Information Retrieval · Computer Science 2024-05-08 Huiyuan Chen , Zhe Xu , Chin-Chia Michael Yeh , Vivian Lai , Yan Zheng , Minghua Xu , Hanghang Tong

Message Passing Neural Networks have recently become the most popular approach to graph machine learning tasks; however, their receptive field is limited by the number of message passing layers. To increase the receptive field, Graph…

Machine Learning · Computer Science 2026-04-10 Oleg Platonov , Liudmila Prokhorenkova

We introduce Attention Graphs, a new tool for mechanistic interpretability of Graph Neural Networks (GNNs) and Graph Transformers based on the mathematical equivalence between message passing in GNNs and the self-attention mechanism in…

Machine Learning · Computer Science 2025-02-26 Batu El , Deepro Choudhury , Pietro Liò , Chaitanya K. Joshi

Graph Transformers, which incorporate self-attention and positional encoding, have recently emerged as a powerful architecture for various graph learning tasks. Despite their impressive performance, the complex non-convex interactions…

Machine Learning · Computer Science 2024-06-05 Hongkang Li , Meng Wang , Tengfei Ma , Sijia Liu , Zaixi Zhang , Pin-Yu Chen

Graph representation learning in Euclidean space, despite its widespread adoption and proven utility in many domains, often struggles to effectively capture the inherent hierarchical and complex relational structures prevalent in real-world…

Machine Learning · Computer Science 2025-08-26 Menglin Yang , Min Zhou , Tong Zhang , Jiahong Liu , Zhihao Li , Lujia Pan , Hui Xiong , Irwin King

Most previous heterogeneous graph embedding models represent elements in a heterogeneous graph as vector representations in a low-dimensional Euclidean space. However, because heterogeneous graphs inherently possess complex structures, such…

Machine Learning · Computer Science 2024-04-16 Jongmin Park , Seunghoon Han , Soohwan Jeong , Sungsu Lim

Curvature notions on graphs provide a theoretical description of graph topology, highlighting bottlenecks and denser connected regions. Artifacts of the message passing paradigm in Graph Neural Networks, such as oversmoothing and…

Machine Learning · Computer Science 2026-02-25 Floriano Tori , Lorenzo Bini , Marco Sorbi , Stéphane Marchand-Maillet , Vincent Ginis

We propose a generalization of transformer neural network architecture for arbitrary graphs. The original transformer was designed for Natural Language Processing (NLP), which operates on fully connected graphs representing all connections…

Machine Learning · Computer Science 2021-01-26 Vijay Prakash Dwivedi , Xavier Bresson

Transformer-based models have recently shown success in representation learning on graph-structured data beyond natural language processing and computer vision. However, the success is limited to small-scale graphs due to the drawbacks of…

Machine Learning · Computer Science 2022-10-05 Jinyoung Park , Seongjun Yun , Hyeonjin Park , Jaewoo Kang , Jisu Jeong , Kyung-Min Kim , Jung-woo Ha , Hyunwoo J. Kim

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…

Machine Learning · Computer Science 2022-11-16 Gaichao Li , Jinsong Chen , Kun He

Graph Transformer, due to its global attention mechanism, has emerged as a new tool in dealing with graph-structured data. It is well recognized that the global attention mechanism considers a wider receptive field in a fully connected…

Machine Learning · Computer Science 2024-05-27 Yujie Xing , Xiao Wang , Yibo Li , Hai Huang , Chuan Shi

Recent advances in Graph Convolutional Neural Networks (GCNNs) have shown their efficiency for non-Euclidean data on graphs, which often require a large amount of labeled data with high cost. It it thus critical to learn graph feature…

Computer Vision and Pattern Recognition · Computer Science 2020-03-20 Xiang Gao , Wei Hu , Guo-Jun Qi

Graph foundation models represent a transformative paradigm for learning transferable representations across diverse graph domains. Recent methods leverage large language models to unify graph and text modalities into a shared…

Machine Learning · Computer Science 2025-12-23 Heng Zhang , Tianyi Zhang , Yuling Shi , Xiaodong Gu , Yaomin Shen , Haochen You , Zijian Zhang , Yilei Yuan , Jin Huang

There has been a surge of recent interest in learning representations for graph-structured data. Graph representation learning methods have generally fallen into three main categories, based on the availability of labeled data. The first,…

Machine Learning · Computer Science 2022-04-13 Ines Chami , Sami Abu-El-Haija , Bryan Perozzi , Christopher Ré , Kevin Murphy

Transformers are built upon multi-head scaled dot-product attention and positional encoding, which aim to learn the feature representations and token dependencies. In this work, we focus on enhancing the distinctive representation by…

Computer Vision and Pattern Recognition · Computer Science 2022-07-12 Litao Yu , Jian Zhang

In the last decade or so, we have witnessed deep learning reinvigorating the machine learning field. It has solved many problems in the domains of computer vision, speech recognition, natural language processing, and various other tasks…

Machine Learning · Computer Science 2021-09-09 Lilapati Waikhom , Ripon Patgiri