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Graph Neural Networks (GNNs) have emerged as a powerful tool for learning from graph-structured data. However, even state-of-the-art architectures have limitations on what structures they can distinguish, imposing theoretical limits on what…

Machine Learning · Computer Science 2023-07-03 Eren Akbiyik , Florian Grötschla , Beni Egressy , Roger Wattenhofer

Graph, as an important data representation, is ubiquitous in many real world applications ranging from social network analysis to biology. How to correctly and effectively learn and extract information from graph is essential for a large…

Machine Learning · Computer Science 2020-10-27 Xiaodong Jiang , Ronghang Zhu , Pengsheng Ji , Sheng Li

The success of large pretrained Transformers is closely tied to tokenizers, which convert raw input into discrete symbols. Extending these models to graph-structured data remains a significant challenge. In this work, we introduce a graph…

Machine Learning · Computer Science 2026-03-13 Zeyuan Guo , Enmao Diao , Cheng Yang , Chuan Shi

There has been a recent surge in transformer-based architectures for learning on graphs, mainly motivated by attention as an effective learning mechanism and the desire to supersede handcrafted operators characteristic of message passing…

Machine Learning · Computer Science 2025-06-10 David Buterez , Jon Paul Janet , Dino Oglic , Pietro Lio

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…

Machine Learning · Computer Science 2021-06-15 Yuheng Lu , Jinpeng Chen , ChuXiong Sun , Jie Hu

Node tokenized graph Transformers (GTs) have shown promising performance in node classification. The generation of token sequences is the key module in existing tokenized GTs which transforms the input graph into token sequences,…

Machine Learning · Computer Science 2025-02-13 Jinsong Chen , Chenyang Li , GaiChao Li , John E. Hopcroft , Kun He

The dominant graph-to-sequence transduction models employ graph neural networks for graph representation learning, where the structural information is reflected by the receptive field of neurons. Unlike graph neural networks that restrict…

Computation and Language · Computer Science 2019-12-03 Deng Cai , Wai Lam

Recent advances in integrating positional and structural encodings (PSEs) into graph neural networks (GNNs) have significantly enhanced their performance across various graph learning tasks. However, the general applicability of these…

Machine Learning · Computer Science 2025-03-04 Billy Joe Franks , Moshe Eliasof , Semih Cantürk , Guy Wolf , Carola-Bibiane Schönlieb , Sophie Fellenz , Marius Kloft

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,…

Machine Learning · Computer Science 2025-11-18 Jeongwhan Choi , Seungjun Park , Sumin Park , Sung-Bae Cho , Noseong Park

Graph Transformers (GTs), which integrate message passing and self-attention mechanisms simultaneously, have achieved promising empirical results in graph prediction tasks. However, the design of scalable and topology-aware node…

Neural and Evolutionary Computing · Computer Science 2025-12-12 Huizhe Zhang , Jintang Li , Yuchang Zhu , Huazhen Zhong , Liang Chen

Machine learning on graphs is an important and ubiquitous task with applications ranging from drug design to friendship recommendation in social networks. The primary challenge in this domain is finding a way to represent, or encode, graph…

Social and Information Networks · Computer Science 2018-04-11 William L. Hamilton , Rex Ying , Jure Leskovec

Graph neural networks based on iterative one-hop message passing have been shown to struggle in harnessing the information from distant nodes effectively. Conversely, graph transformers allow each node to attend to all other nodes directly,…

Machine Learning · Computer Science 2024-06-06 Yuhui Ding , Antonio Orvieto , Bobby He , Thomas Hofmann

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 pre-training has been concentrated on graph-level tasks involving small graphs (e.g., molecular graphs) or learning node representations on a fixed graph. Extending graph pre-trained models to web-scale graphs with billions of nodes…

Machine Learning · Computer Science 2025-11-07 Yufei He , Zhenyu Hou , Yukuo Cen , Jun Hu , Feng He , Xu Cheng , Jie Tang , Bryan Hooi

Network data can be conveniently modeled as a graph signal, where data values are assigned to nodes of a graph that describes the underlying network topology. Successful learning from network data is built upon methods that effectively…

Machine Learning · Computer Science 2021-05-26 Fernando Gama , Elvin Isufi , Geert Leus , Alejandro Ribeiro

We introduceGraphGPT, a novel self-supervised generative pre-trained model for graph learning based on the Graph Eulerian Transformer (GET). First, we propose GET, which combines a standard transformer encoder or decoder architecture with…

Machine Learning · Computer Science 2025-06-09 Qifang Zhao , Weidong Ren , Tianyu Li , Hong Liu , Xingsheng He , Xiaoxiao Xu

Graph Transformer is gaining increasing attention in the field of machine learning and has demonstrated state-of-the-art performance on benchmarks for graph representation learning. However, as current implementations of Graph Transformer…

Machine Learning · Computer Science 2023-05-08 Wenhao Zhu , Tianyu Wen , Guojie Song , Xiaojun Ma , Liang Wang

Neural machine translation (NMT) usually works in a seq2seq learning way by viewing either source or target sentence as a linear sequence of words, which can be regarded as a special case of graph, taking words in the sequence as nodes and…

Computation and Language · Computer Science 2020-09-17 Sufeng Duan , Hai Zhao , Rui Wang

The extraction of a scene graph with objects as nodes and mutual relationships as edges is the basis for a deep understanding of image content. Despite recent advances, such as message passing and joint classification, the detection of…

Computer Vision and Pattern Recognition · Computer Science 2021-07-22 Rajat Koner , Suprosanna Shit , Volker Tresp

Graph Neural Networks (GNNs) have paved the way for being a cornerstone in graph-related learning tasks. Yet, the ability of GNNs to capture structural interactions within graphs remains under-explored. In this work, we address this gap by…

Machine Learning · Computer Science 2025-03-04 Asela Hevapathige , Qing Wang