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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

We propose the Quantum Graph Attention Network (QGAT), a hybrid graph neural network that integrates variational quantum circuits into the attention mechanism. At its core, QGAT employs strongly entangling quantum circuits with…

Machine Learning · Computer Science 2025-08-29 An Ning , Tai Yue Li , Nan Yow Chen

Transformers have recently shown superior performances on various vision tasks. The large, sometimes even global, receptive field endows Transformer models with higher representation power over their CNN counterparts. Nevertheless, simply…

Computer Vision and Pattern Recognition · Computer Science 2022-05-25 Zhuofan Xia , Xuran Pan , Shiji Song , Li Erran Li , Gao Huang

We present MeshGraphNet-Transformer (MGN-T), a novel architecture that combines the global modeling capabilities of Transformers with the geometric inductive bias of MeshGraphNets, while preserving a mesh-based graph representation. MGN-T…

Machine Learning · Computer Science 2026-02-06 Mikel M. Iparraguirre , Iciar Alfaro , David Gonzalez , Elias Cueto

Accurate and timely traffic flow forecasting is crucial for intelligent transportation systems. This paper presents a novel deep learning model, the Spatial-Temporal Unified Graph Attention Network (STGAtt). By leveraging a unified graph…

Machine Learning · Computer Science 2025-08-26 Zhuding Liang , Jianxun Cui , Qingshuang Zeng , Feng Liu , Nenad Filipovic , Tijana Geroski

Many machine learning tasks such as multiple instance learning, 3D shape recognition, and few-shot image classification are defined on sets of instances. Since solutions to such problems do not depend on the order of elements of the set,…

Machine Learning · Computer Science 2019-05-28 Juho Lee , Yoonho Lee , Jungtaek Kim , Adam R. Kosiorek , Seungjin Choi , Yee Whye Teh

Despite their widespread success in various domains, Transformer networks have yet to perform well across datasets in the domain of 3D atomistic graphs such as molecules even when 3D-related inductive biases like translational invariance…

Machine Learning · Computer Science 2023-03-01 Yi-Lun Liao , Tess Smidt

Recently popularized graph neural networks achieve the state-of-the-art accuracy on a number of standard benchmark datasets for graph-based semi-supervised learning, improving significantly over existing approaches. These architectures…

Machine Learning · Statistics 2018-03-13 Kiran K. Thekumparampil , Chong Wang , Sewoong Oh , Li-Jia Li

Variants of Graph Neural Networks (GNNs) for representation learning have been proposed recently and achieved fruitful results in various fields. Among them, Graph Attention Network (GAT) first employs a self-attention strategy to learn…

Machine Learning · Computer Science 2021-07-28 Heng Chang , Yu Rong , Tingyang Xu , Wenbing Huang , Somayeh Sojoudi , Junzhou Huang , Wenwu Zhu

Learning representations on large graphs is a long-standing challenge due to the inter-dependence nature. Transformers recently have shown promising performance on small graphs thanks to its global attention for capturing all-pair…

Machine Learning · Computer Science 2024-09-16 Qitian Wu , Kai Yang , Hengrui Zhang , David Wipf , Junchi Yan

Graph representation learning for hypergraphs can be used to extract patterns among higher-order interactions that are critically important in many real world problems. Current approaches designed for hypergraphs, however, are unable to…

Machine Learning · Computer Science 2019-11-11 Ruochi Zhang , Yuesong Zou , Jian Ma

Transformer-based methods have demonstrated excellent performance on super-resolution visual tasks, surpassing conventional convolutional neural networks. However, existing work typically restricts self-attention computation to…

Computer Vision and Pattern Recognition · Computer Science 2024-05-09 Shu-Chuan Chu , Zhi-Chao Dou , Jeng-Shyang Pan , Shaowei Weng , Junbao Li

Pretraining plays a pivotal role in acquiring generalized knowledge from large-scale data, achieving remarkable successes as evidenced by large models in CV and NLP. However, progress in the graph domain remains limited due to fundamental…

Artificial Intelligence · Computer Science 2024-06-21 Yu Song , Haitao Mao , Jiachen Xiao , Jingzhe Liu , Zhikai Chen , Wei Jin , Carl Yang , Jiliang Tang , Hui 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

Impressive performance of Transformer has been attributed to self-attention, where dependencies between entire input in a sequence are considered at every position. In this work, we reform the neural $n$-gram model, which focuses on only…

Computation and Language · Computer Science 2022-07-28 Mengsay Loem , Sho Takase , Masahiro Kaneko , Naoaki Okazaki

Recent advances in deep learning have established Transformer architectures as the predominant modeling paradigm. Central to the success of Transformers is the self-attention mechanism, which scores the similarity between query and key…

Machine Learning · Computer Science 2025-03-05 Jie Zhang , Mao-Hsuan Mao , Bo-Wei Chiu , Min-Te Sun

Recently, Vision Transformer and its variants have shown great promise on various computer vision tasks. The ability of capturing short- and long-range visual dependencies through self-attention is arguably the main source for the success.…

Computer Vision and Pattern Recognition · Computer Science 2021-07-02 Jianwei Yang , Chunyuan Li , Pengchuan Zhang , Xiyang Dai , Bin Xiao , Lu Yuan , Jianfeng Gao

Standard transformer-based language models, while powerful for general text, often struggle with the fine-grained syntax and entity relationships in complex technical, engineering documents. To address this, we propose the Contextual Graph…

Computation and Language · Computer Science 2025-08-05 Karan Reddy , Mayukha Pal

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…

Machine Learning · Computer Science 2023-09-11 Sungjun Cho , Seunghyuk Cho , Sungwoo Park , Hankook Lee , Honglak Lee , Moontae Lee

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…

Machine Learning · Computer Science 2024-05-21 Eran Rosenbluth , Jan Tönshoff , Martin Ritzert , Berke Kisin , Martin Grohe
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