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Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

Machine Learning · Computer Science 2025-02-19 Jinlu Wang , Jipeng Guo , Yanfeng Sun , Junbin Gao , Shaofan Wang , Yachao Yang , Baocai Yin

Convolutional Neural Network (CNN) is a popular model in computer vision and has the advantage of making good use of the correlation information of data. However, CNN is challenging to learn efficiently if the given dimension of data or…

Quantum Physics · Physics 2020-09-22 Seunghyeok Oh , Jaeho Choi , Joongheon Kim

The prediction of physicochemical properties from molecular structures is a crucial task for artificial intelligence aided molecular design. A growing number of Graph Neural Networks (GNNs) have been proposed to address this challenge.…

Machine Learning · Computer Science 2020-11-17 Shuo Zhang , Yang Liu , Lei Xie

While kernel methods and Graph Neural Networks offer complementary strengths, integrating the two has posed challenges in efficiency and scalability. The Graph Neural Tangent Kernel provides a theoretical bridge by interpreting GNNs through…

Machine Learning · Computer Science 2025-07-17 Lin Wang , Shijie Wang , Sirui Huang , Qing Li

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

Quantum computing has been a prominent research area for decades, inspiring transformative fields such as quantum simulation, quantum teleportation, and quantum machine learning (QML), which are undergoing rapid development. Within QML,…

Quantum Physics · Physics 2025-04-01 Shiwen An , Konstantinos Slavakis

In this paper, we present a novel framework for enhancing the performance of Quanvolutional Neural Networks (QuNNs) by introducing trainable quanvolutional layers and addressing the critical challenges associated with them. Traditional…

Machine Learning · Computer Science 2025-07-18 Muhammad Kashif , Muhammad Shafique

Gaussian processes (GPs) are an attractive class of machine learning models because of their simplicity and flexibility as building blocks of more complex Bayesian models. Meanwhile, graph neural networks (GNNs) emerged recently as a…

Machine Learning · Computer Science 2023-02-14 Zehao Niu , Mihai Anitescu , Jie Chen

We introduce Genetic Transformer Assisted Quantum Neural Networks (GTQNNs), a hybrid learning framework that combines a transformer encoder with a shallow variational quantum circuit and automatically fine tunes the circuit via the NSGA-II…

Quantum Physics · Physics 2025-06-12 Haiyan Wang

We introduce the concept of a Graph-Informed Neural Network (GINN), a hybrid approach combining deep learning with probabilistic graphical models (PGMs) that acts as a surrogate for physics-based representations of multiscale and…

Computational Physics · Physics 2021-03-17 Eric J. Hall , Søren Taverniers , Markos A. Katsoulakis , Daniel M. Tartakovsky

Quantum machine learning is receiving significant attention currently, but its usefulness in comparison to classical machine learning techniques for practical applications remains unclear. However, there are indications that certain quantum…

Recent developments in quantum computing and machine learning have propelled the interdisciplinary study of quantum machine learning. Sequential modeling is an important task with high scientific and commercial value. Existing VQC or…

Neural and Evolutionary Computing · Computer Science 2022-11-07 Samuel Yen-Chi Chen , Daniel Fry , Amol Deshmukh , Vladimir Rastunkov , Charlee Stefanski

Convolutional Neural Networks (CNNs) have recently led to incredible breakthroughs on a variety of pattern recognition problems. Banks of finite impulse response filters are learned on a hierarchy of layers, each contributing more abstract…

Computer Vision and Pattern Recognition · Computer Science 2017-07-18 Felipe Petroski Such , Shagan Sah , Miguel Dominguez , Suhas Pillai , Chao Zhang , Andrew Michael , Nathan Cahill , Raymond Ptucha

Quantum convolutional neural networks (QCNNs) represent a promising approach in quantum machine learning, paving new directions for both quantum and classical data analysis. This approach is particularly attractive due to the absence of the…

Quantum Physics · Physics 2025-08-06 Changwon Lee , Israel F. Araujo , Dongha Kim , Junghan Lee , Siheon Park , Ju-Young Ryu , Daniel K. Park

Convex quadratically constrained quadratic programs (QCQPs) involve finding a solution within a convex feasible region defined by quadratic constraints while minimizing a convex quadratic objective function. These problems arise in various…

Optimization and Control · Mathematics 2025-11-25 Chenyang Wu , Qian Chen , Akang Wang , Tian Ding , Ruoyu Sun , Wenguo Yang , Qingjiang Shi

Various classes of Graph Neural Networks (GNN) have been proposed and shown to be successful in a wide range of applications with graph structured data. In this paper, we propose a theoretical framework able to compare the expressive power…

Machine Learning · Computer Science 2021-06-08 Waïss Azizian , Marc Lelarge

Machine learning, particularly deep neural networks, has been widely used in high-energy physics, demonstrating remarkable results in various applications. Furthermore, the extension of machine learning to quantum computers has given rise…

High Energy Physics - Phenomenology · Physics 2025-01-23 Yi-An Chen , Kai-Feng Chen

Graph structures are ubiquitous throughout the natural sciences. Here we consider graph-structured quantum data and describe how to carry out its quantum machine learning via quantum neural networks. In particular, we consider training data…

Quantum Physics · Physics 2021-03-22 Kerstin Beer , Megha Khosla , Julius Köhler , Tobias J. Osborne

Quantum neural network architectures that have little-to-no inductive biases are known to face trainability and generalization issues. Inspired by a similar problem, recent breakthroughs in machine learning address this challenge by…

Graph Neural Networks (GNNs) are a powerful representational tool for solving problems on graph-structured inputs. In almost all cases so far, however, they have been applied to directly recovering a final solution from raw inputs, without…

Machine Learning · Statistics 2020-01-16 Petar Veličković , Rex Ying , Matilde Padovano , Raia Hadsell , Charles Blundell