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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

Graph representation learning has become a crucial task in machine learning and data mining due to its potential for modeling complex structures such as social networks, chemical compounds, and biological systems. Spiking neural networks…

Artificial Intelligence · Computer Science 2024-03-27 Huifeng Yin , Mingkun Xu , Jing Pei , Lei Deng

Graphs are the natural data structure to represent relational and structural information in many domains. To cover the broad range of graph-data applications including graph classification as well as graph generation, it is desirable to…

Machine Learning · Computer Science 2020-06-11 Sanghyun Yoo , Young-Seok Kim , Kang Hyun Lee , Kuhwan Jeong , Junhwi Choi , Hoshik Lee , Young Sang Choi

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

Graphs are useful for representing various realworld objects. However, graph neural networks (GNNs) tend to suffer from over-smoothing, where the representations of nodes of different classes become similar as the number of layers…

Machine Learning · Computer Science 2024-10-22 Jun Kato , Airi Mita , Keita Gobara , Akihiro Inokuchi

Machine learning models that can exploit the inherent structure in data have gained prominence. In particular, there is a surge in deep learning solutions for graph-structured data, due to its wide-spread applicability in several fields.…

Machine Learning · Computer Science 2020-02-12 Uday Shankar Shanthamallu , Jayaraman J. Thiagarajan , Andreas Spanias

Recently, quantum neural networks or quantum-classical neural networks (qcNN) have been actively studied, as a possible alternative to the conventional classical neural network (cNN), but their practical and theoretically-guaranteed…

Quantum Physics · Physics 2023-12-12 Kouhei Nakaji , Hiroyuki Tezuka , Naoki Yamamoto

For automotive applications, the Graph Attention Network (GAT) is a prominently used architecture to include relational information of a traffic scenario during feature embedding. As shown in this work, however, one of the most popular GAT…

Machine Learning · Computer Science 2023-05-26 Marion Neumeier , Andreas Tollkühn , Sebastian Dorn , Michael Botsch , Wolfgang Utschick

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

Attention-based graph neural networks (GNNs), such as graph attention networks (GATs), have become popular neural architectures for processing graph-structured data and learning node embeddings. Despite their empirical success, these models…

Machine Learning · Statistics 2023-06-07 Dexiong Chen , Paolo Pellizzoni , Karsten Borgwardt

Classical machine learning often struggles with complex, high-dimensional data. Quantum machine learning offers a potential solution, promising more efficient processing. The quantum convolutional neural network (QCNN), a hybrid algorithm,…

Quantum Physics · Physics 2025-07-25 Hinako Asaoka , Kazue Kudo

Graph neural networks (GNNs) have brought revolutionary advancements to the field of link prediction (LP), providing powerful tools for mining potential relationships in graphs. However, existing methods face challenges when dealing with…

Machine Learning · Computer Science 2025-12-30 Huashen Lu , Wensheng Gan , Guoting Chen , Zhichao Huang , Philip S. Yu

Constructing appropriate representations of molecules lies at the core of numerous tasks such as material science, chemistry and drug designs. Recent researches abstract molecules as attributed graphs and employ graph neural networks (GNN)…

Machine Learning · Computer Science 2021-07-29 Jianwen Chen , Shuangjia Zheng , Ying Song , Jiahua Rao , Yuedong Yang

Graph neural networks (GNN) have shown significant capabilities in handling structured data, yet their application to dynamic, temporal data remains limited. This paper presents a new type of graph attention network, called TempoKGAT, which…

Machine Learning · Computer Science 2024-12-24 Lena Sasal , Daniel Busby , Abdenour Hadid

The growing variety of quantum hardware technologies, each with unique peculiarities such as connectivity and native gate sets, creates challenges when selecting the best platform for executing a specific quantum circuit. This selection…

Quantum Physics · Physics 2026-01-29 Antonio Tudisco , Deborah Volpe , Giacomo Orlandi , Giovanna Turvani

Parameterized Quantum Circuits (PQCs) are essential to quantum machine learning and optimization algorithms. The expressibility of PQCs, which measures their ability to represent a wide range of quantum states, is a critical factor…

In the area of geographic information processing. There are few researches on geographic text classification. However, the application of this task in Chinese is relatively rare. In our work, we intend to implement a method to extract text…

Computation and Language · Computer Science 2021-01-28 Weipeng Jing , Xianyang Song , Donglin Di , Houbing Song

Vectorized quantum block encoding provides a way to embed classical data into Hilbert space, offering a pathway for quantum models, such as Quantum Transformers (QT), that replace classical self-attention with quantum circuit simulations to…

Quantum Physics · Physics 2025-09-05 Ziqing Guo , Ziwen Pan , Alex Khan , Jan Balewski

Quantum error mitigation (QEM) provides a practical route for estimating reliable observables on noisy intermediate-scale quantum (NISQ) devices. Traditional QEM strategies, including zero-noise extrapolation (ZNE) and Clifford data…

Quantum Physics · Physics 2026-04-21 Huaxin Wang , Xinge Wu , Jiajun Liu , Ruiqing He , Jiandong Shang , Hengliang Guo , Qiang Chen

Graph neural networks (GNNs) have demonstrated strong performance on a wide variety of tasks due to their ability to model non-uniform structured data. Despite their promise, there exists little research exploring methods to make them more…

Machine Learning · Computer Science 2021-03-16 Shyam A. Tailor , Javier Fernandez-Marques , Nicholas D. Lane
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