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We introduce Quantum Graph Attention Networks (QGATs) as trainable quantum encoders for inductive learning on graphs, extending the Quantum Graph Neural Networks (QGNN) framework. QGATs leverage parameterized quantum circuits to encode node…

Quantum Physics · Physics 2025-09-16 Arthur M. Faria , Mehdi Djellabi , Igor O. Sokolov , Savvas Varsamopoulos

A large number of real-world networks include multiple types of nodes and edges. Graph Neural Network (GNN) emerged as a deep learning framework to generate node and graph embeddings for downstream machine learning tasks. However, popular…

Machine Learning · Computer Science 2024-11-26 Ziynet Nesibe Kesimoglu , Serdar Bozdag

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…

Machine Learning · Computer Science 2020-07-28 Shuo Zhang , Lei Xie

Auto-encoders have emerged as a successful framework for unsupervised learning. However, conventional auto-encoders are incapable of utilizing explicit relations in structured data. To take advantage of relations in graph-structured data,…

Machine Learning · Computer Science 2019-05-28 Amin Salehi , Hasan Davulcu

Graph Neural Networks (GNNs) set the state-of-the-art in representation learning for graph-structured data. They are used in many domains, from online social networks to complex molecules. Most GNNs leverage the message-passing paradigm and…

Machine Learning · Computer Science 2025-03-06 Tuğrul Hasan Karabulut , İnci M. Baytaş

Attention mechanism in graph neural networks is designed to assign larger weights to important neighbor nodes for better representation. However, what graph attention learns is not understood well, particularly when graphs are noisy. In…

Machine Learning · Computer Science 2022-04-12 Dongkwan Kim , Alice Oh

The emerging graph Transformers have achieved impressive performance for graph representation learning over graph neural networks (GNNs). In this work, we regard the self-attention mechanism, the core module of graph Transformers, as a…

Machine Learning · Computer Science 2023-10-18 Jinsong Chen , Gaichao Li , John E. Hopcroft , Kun He

Graph neural networks (GNNs) have attracted much attention because of their excellent performance on tasks such as node classification. However, there is inadequate understanding on how and why GNNs work, especially for node representation…

Machine Learning · Computer Science 2020-06-09 Guoji Fu , Yifan Hou , Jian Zhang , Kaili Ma , Barakeel Fanseu Kamhoua , James Cheng

Attention operators have been widely applied in various fields, including computer vision, natural language processing, and network embedding learning. Attention operators on graph data enables learnable weights when aggregating information…

Machine Learning · Computer Science 2019-07-11 Hongyang Gao , Shuiwang Ji

In community-based question answering (CQA) platforms, automatic answer ranking for a given question is critical for finding potentially popular answers in early times. The mainstream approaches learn to generate answer ranking scores based…

Computation and Language · Computer Science 2021-03-23 Wei Zhang , Zeyuan Chen , Chao Dong , Wen Wang , Hongyuan Zha , Jianyong Wang

Graph Attention Networks (GATs) are designed to provide flexible neighborhood aggregation that assigns weights to neighbors according to their importance. In practice, however, GATs are often unable to switch off task-irrelevant…

Machine Learning · Computer Science 2024-07-31 Nimrah Mustafa , Rebekka Burkholz

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Machine Learning · Computer Science 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

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

The dominant paradigm for machine learning on graphs uses Message Passing Graph Neural Networks (MP-GNNs), in which node representations are updated by aggregating information in their local neighborhood. Recently, there have been…

Machine Learning · Computer Science 2023-03-02 Daniel Glickman , Eran Yahav

Gene regulatory relationships can be abstracted as a gene regulatory network (GRN), which plays a key role in characterizing complex cellular processes and pathways. Recently, graph neural networks (GNNs), as a class of deep learning…

Molecular Networks · Quantitative Biology 2023-11-07 Hui Zhang , Xuexin An , Qiang He , Yudong Yao , Yudong Zhang , Feng-Lei Fan , Yueyang Teng

Graph convolutional networks (GCNs) have shown the powerful ability in text structure representation and effectively facilitate the task of text classification. However, challenges still exist in adapting GCN on learning discriminative…

Machine Learning · Computer Science 2019-12-02 Xueya Zhang , Tong Zhang , Wenting Zhao , Zhen Cui , Jian Yang

Graph-structured data arise naturally in many different application domains. By representing data as graphs, we can capture entities (i.e., nodes) as well as their relationships (i.e., edges) with each other. Many useful insights can be…

Artificial Intelligence · Computer Science 2018-07-24 John Boaz Lee , Ryan A. Rossi , Sungchul Kim , Nesreen K. Ahmed , Eunyee Koh

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

In this work, we propose a methodology for investigating the use of semantic attention to enhance the explainability of Graph Neural Network (GNN)-based models. Graph Deep Learning (GDL) has emerged as a promising field for tasks like scene…

Machine Learning · Computer Science 2023-10-24 Efimia Panagiotaki , Daniele De Martini , Lars Kunze

Graph neural networks (GNN) have been ubiquitous in graph node classification tasks. Most of GNN methods update the node embedding iteratively by aggregating its neighbors' information. However, they often suffer from negative disturbance,…

Machine Learning · Computer Science 2022-02-02 Jie Chen , Shouzhen Chen , Mingyuan Bai , Jian Pu , Junping Zhang , Junbin Gao