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Graph Attention Networks (GATs) have been intensively studied and widely used in graph data learning tasks. Existing GATs generally adopt the self-attention mechanism to conduct graph edge attention learning, requiring expensive…

Neural and Evolutionary Computing · Computer Science 2022-09-28 Beibei Wang , Bo Jiang

Using a quantum processor to embed and process classical data enables the generation of correlations between variables that are inefficient to represent through classical computation. A fundamental question is whether these correlations…

Recent advances in machine learning have demonstrated an enormous utility of deep learning approaches, particularly Graph Neural Networks (GNNs) for materials science. These methods have emerged as powerful tools for high-throughput…

Computational Physics · Physics 2025-05-23 Junchi Liu , Ying Tang , Sergei Tretiak , Wenhui Duan , Liujiang Zhou

Quantum machine learning holds promise for advancing time series forecasting. The Quantum Recurrent Neural Network (QRNN), inspired by classical RNNs, encodes temporal data into quantum states that are periodically input into a quantum…

Quantum Physics · Physics 2026-01-09 Jack Morgan , Hamed Mohammadbagherpoor , Eric Ghysels

The attention mechanism has demonstrated superior performance for inference over nodes in graph neural networks (GNNs), however, they result in a high computational burden during both training and inference. We propose FastGAT, a method to…

Machine Learning · Computer Science 2020-10-06 Rakshith S Srinivasa , Cao Xiao , Lucas Glass , Justin Romberg , Jimeng Sun

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) have been successfully used in many problems involving graph-structured data, achieving state-of-the-art performance. GNNs typically employ a message-passing scheme, in which every node aggregates information…

Machine Learning · Computer Science 2022-11-22 Michail Chatzianastasis , Johannes F. Lutzeyer , George Dasoulas , Michalis Vazirgiannis

Graph Transformers, which incorporate self-attention and positional encoding, have recently emerged as a powerful architecture for various graph learning tasks. Despite their impressive performance, the complex non-convex interactions…

Machine Learning · Computer Science 2024-06-05 Hongkang Li , Meng Wang , Tengfei Ma , Sijia Liu , Zaixi Zhang , Pin-Yu Chen

Graph attention networks (GATs) provide one of the best frameworks for learning node representations in relational data; but, existing variants such as Graph Attention Network (GAT) mainly operate on static graphs and rely on implicit…

Machine Learning · Computer Science 2026-04-14 Ami Chopra , Supriya Bordoloi , Shyamanta M. Hazarika

Graph Neural Networks (GNNs) have emerged as the de facto standard for modeling graph data, with attention mechanisms and transformers significantly enhancing their performance on graph-based tasks. Despite these advancements, the…

Machine Learning · Computer Science 2025-04-07 Nikhil Shivakumar Nayak

Quantum computing and machine learning have potential for symbiosis. However, in addition to the hardware limitations from current devices, there are still basic issues that must be addressed before quantum circuits can usefully incorporate…

Quantum Physics · Physics 2022-06-15 Fabio Sanches , Sean Weinberg , Takanori Ide , Kazumitsu Kamiya

Increasing wireless network complexity demands scalable resource management. Classical GNNs excel at graph learning but incur high computational costs in large-scale settings. We present a fully quantum Graph Neural Network (QGNN) that…

Machine Learning · Computer Science 2025-11-25 Tung Giang Le , Xuan Tung Nguyen , Won-Joo Hwang

Quantum Neural Networks (QNNs) offer a promising framework for integrating quantum computing principles into machine learning, yet their practical capabilities and limitations remain insufficiently studied. In this work, we systematically…

Quantum Physics · Physics 2026-03-31 Martyna Czuba , Patrick Holzer , Hein Zay Yar Oo

Graph Neural Networks (GNN) has demonstrated the superior performance in many challenging applications, including the few-shot learning tasks. Despite its powerful capacity to learn and generalize the model from few samples, GNN usually…

Machine Learning · Computer Science 2020-10-05 Hao Cheng , Joey Tianyi Zhou , Wee Peng Tay , Bihan Wen

We develop and implement two realizations of quantum graph neural networks (QGNN), applied to the task of particle interaction simulation. The first QGNN is a speculative quantum-classical hybrid learning model that relies on the ability to…

Noisy quantum devices demand error-mitigation techniques to be accurate yet simple and efficient in terms of number of shots and processing time. Many established approaches (e.g., extrapolation and quasi-probability cancellation) impose…

Emerging Technologies · Computer Science 2025-11-11 Seyed Mohamad Ali Tousi , G. N. DeSouza

The prosperity of computer vision (CV) and natural language procession (NLP) in recent years has spurred the development of deep learning in many other domains. The advancement in machine learning provides us with an alternative option…

Machine Learning · Computer Science 2020-12-02 Chen Qian , Yunhai Xiong , Xiang Chen

Lots of neural network architectures have been proposed to deal with learning tasks on graph-structured data. However, most of these models concentrate on only node features during the learning process. The edge features, which usually play…

Machine Learning · Computer Science 2021-01-20 Jun Chen , Haopeng Chen

Classical deep neural networks can learn rich multi-particle correlations in collider data, but their inductive biases are rarely anchored in physics structure. We propose quantum-informed neural networks (QINNs), a general framework that…

High Energy Physics - Phenomenology · Physics 2025-10-22 Aritra Bal , Markus Klute , Benedikt Maier , Melik Oughton , Eric Pezone , Michael Spannowsky

Machine learning (ML) methods have gained increasing popularity in exploring and developing new materials. More specifically, graph neural network (GNN) has been applied in predicting material properties. In this work, we develop a novel…

Computational Physics · Physics 2020-08-18 Steph-Yves Louis , Yong Zhao , Alireza Nasiri , Xiran Wong , Yuqi Song , Fei Liu , Jianjun Hu