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Graph transformer has been proven as an effective graph learning method for its adoption of attention mechanism that is capable of capturing expressive representations from complex topological and feature information of graphs. Graph…

Machine Learning · Computer Science 2024-03-26 Dongqi Fu , Zhigang Hua , Yan Xie , Jin Fang , Si Zhang , Kaan Sancak , Hao Wu , Andrey Malevich , Jingrui He , Bo Long

Large Transformer models yield impressive results on many tasks, but are expensive to train, or even fine-tune, and so slow at decoding that their use and study becomes out of reach. We address this problem by leveraging sparsity. We study…

Graph Neural Networks (GNNs) have emerged as effective tools for learning tasks on graph-structured data. Recently, Graph-Informed (GI) layers were introduced to address regression tasks on graph nodes, extending their applicability beyond…

Machine Learning · Computer Science 2024-03-21 Francesco Della Santa

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 sparsification is a powerful tool to approximate an arbitrary graph and has been used in machine learning over homogeneous graphs. In heterogeneous graphs such as knowledge graphs, however, sparsification has not been systematically…

Machine Learning · Computer Science 2022-11-15 Chandan Chunduru , Chun Jiang Zhu , Blake Gains , Jinbo Bi

Graph transformers need strong inductive biases to derive meaningful attention scores. Yet, current methods often fall short in capturing longer ranges, hierarchical structures, or community structures, which are common in various graphs…

Machine Learning · Computer Science 2024-05-28 Yuankai Luo , Hongkang Li , Lei Shi , Xiao-Ming Wu

Recently, Transformer model, which has achieved great success in many artificial intelligence fields, has demonstrated its great potential in modeling graph-structured data. Till now, a great variety of Transformers has been proposed to…

Machine Learning · Computer Science 2022-02-18 Erxue Min , Runfa Chen , Yatao Bian , Tingyang Xu , Kangfei Zhao , Wenbing Huang , Peilin Zhao , Junzhou Huang , Sophia Ananiadou , Yu Rong

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…

Machine Learning · Computer Science 2021-11-25 Chengxuan Ying , Tianle Cai , Shengjie Luo , Shuxin Zheng , Guolin Ke , Di He , Yanming Shen , Tie-Yan Liu

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…

Machine Learning · Computer Science 2022-10-11 Zaixi Zhang , Qi Liu , Qingyong Hu , Chee-Kong Lee

Most of the recent studies tackling routing problems like the Traveling Salesman Problem (TSP) with machine learning use a transformer or Graph Neural Network (GNN) based encoder architecture. However, many of them apply these encoders…

Machine Learning · Computer Science 2024-03-28 Attila Lischka , Jiaming Wu , Rafael Basso , Morteza Haghir Chehreghani , Balázs Kulcsár

Recently, Transformer networks have redefined the state of the art in many NLP tasks. However, these models suffer from quadratic computational cost in the input sequence length $n$ to compute pairwise attention in each layer. This has…

Machine Learning · Computer Science 2020-12-22 Chulhee Yun , Yin-Wen Chang , Srinadh Bhojanapalli , Ankit Singh Rawat , Sashank J. Reddi , Sanjiv Kumar

Graph neural networks have been extensively studied for learning with inter-connected data. Despite this, recent evidence has revealed GNNs' deficiencies related to over-squashing, heterophily, handling long-range dependencies, edge…

Machine Learning · Computer Science 2023-06-16 Qitian Wu , Wentao Zhao , Zenan Li , David Wipf , Junchi Yan

Traffic forecasting is an indispensable part of Intelligent transportation systems (ITS), and long-term network-wide accurate traffic speed forecasting is one of the most challenging tasks. Recently, deep learning methods have become…

Artificial Intelligence · Computer Science 2021-04-13 Haoyang Yan , Xiaolei Ma

Despite that going deep has proven successful in many neural architectures, the existing graph transformers are relatively shallow. In this work, we explore whether more layers are beneficial to graph transformers, and find that current…

Machine Learning · Computer Science 2023-03-02 Haiteng Zhao , Shuming Ma , Dongdong Zhang , Zhi-Hong Deng , Furu Wei

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…

Machine Learning · Computer Science 2025-04-30 Zhonghao Li , Ji Shi , Xinming Zhang , Miao Zhang , Bo Li

Transformers have demonstrated success in graph learning, particularly for node-level tasks. However, existing methods encounter an information bottleneck when generating graph-level representations. The prevalent single token paradigm…

Machine Learning · Computer Science 2026-02-11 Ruixiang Wang , Yuyang Hong , Shiming Xiang , Chunhong Pan

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…

Machine Learning · Computer Science 2025-06-30 Chaitanya K. Joshi

As real-world graphs expand in size, larger GNN models with billions of parameters are deployed. High parameter count in such models makes training and inference on graphs expensive and challenging. To reduce the computational and memory…

Machine Learning · Computer Science 2023-02-27 Hongwu Peng , Deniz Gurevin , Shaoyi Huang , Tong Geng , Weiwen Jiang , Omer Khan , Caiwen Ding

Recently, Graph Transformers have emerged as a promising solution to alleviate the inherent limitations of Graph Neural Networks (GNNs) and enhance graph representation performance. Unfortunately, Graph Transformers are computationally…

Neural and Evolutionary Computing · Computer Science 2024-03-26 Yundong Sun , Dongjie Zhu , Yansong Wang , Zhaoshuo Tian , Ning Cao , Gregory O'Hared

In recent years, Artificial Intelligence has become a powerful partner for complex tasks such as data analysis, prediction, and problem-solving, yet its lack of transparency raises concerns about its reliability. In sensitive domains such…

Machine Learning · Computer Science 2026-03-10 Jesús Sánchez Ochoa , Enrique Tomás Martínez Beltrán , Alberto Huertas Celdrán