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One of the main challenges in drug discovery is to find molecules that bind specifically and strongly to their target protein while having minimal binding to other proteins. By predicting binding affinity, it is possible to identify the…

Quantum Physics · Physics 2023-01-19 L. Domingo , M. Djukic , C. Johnson , F. Borondo

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…

We compare the performance of randomized classical and quantum neural networks (NNs) as well as classical and quantum-classical hybrid convolutional neural networks (CNNs) for the task of supervised binary image classification. We keep the…

Quantum Physics · Physics 2025-11-24 Daniel Basilewitsch , João F. Bravo , Christian Tutschku , Frederick Struckmeier

Neural architecture search (NAS) is a promising technique to design efficient and high-performance deep neural networks (DNNs). As the performance requirements of ML applications grow continuously, the hardware accelerators start playing a…

Computer Vision and Pattern Recognition · Computer Science 2021-08-03 Guihong Li , Sumit K. Mandal , Umit Y. Ogras , Radu Marculescu

The learning process of classical machine learning algorithms is tuned by hyperparameters that need to be customized to best learn and generalize from an input dataset. In recent years, Quantum Machine Learning (QML) has been gaining…

Quantum computing leverages quantum mechanics to address computational problems in ways that differ fundamentally from classical approaches. While current quantum hardware remains error-prone and limited in scale, Variational Quantum…

Quantum Physics · Physics 2025-09-16 Michael Kölle , Simon Salfer , Tobias Rohe , Philipp Altmann , Claudia Linnhoff-Popien

Graph neural networks (GNN) has been successfully applied to operate on the graph-structured data. Given a specific scenario, rich human expertise and tremendous laborious trials are usually required to identify a suitable GNN architecture.…

Machine Learning · Computer Science 2019-09-11 Kaixiong Zhou , Qingquan Song , Xiao Huang , Xia Hu

Rapid development of big data and high-performance computing have encouraged explosive studies of deep learning in geoscience. However, most studies only take single-type data as input, frittering away invaluable multisource, multi-scale…

Machine Learning · Computer Science 2020-05-19 Zhenyu Yuan , Yuxin Jiang , Jingjing Li , Handong Huang

With the overwhelming success in the field of quantum information in the last decades, the "quest" for a Quantum Neural Network (QNN) model began in order to combine quantum computing with the striking properties of neural computing. This…

Quantum Physics · Physics 2014-09-01 M. Schuld , I. Sinayskiy , F. Petruccione

Quantum computing has become increasingly practical in solving real-world problems due to advances in hardware and algorithms. In this paper, we aim to design and estimate quantum machine learning and hybrid quantum-classical models in a…

Quantum Physics · Physics 2025-07-14 Leyang Wang , Yilun Gong , Zongrui Pei

In recent years, machine learning and deep learning have driven advances in domains such as image classification, speech recognition, and anomaly detection by leveraging multi-layer neural networks to model complex data. Simultaneously,…

Quantum Physics · Physics 2025-11-25 Hibah Agha , Samuel Yen-Chi Chen , Huan-Hsin Tseng , Shinjae Yoo

The growing complexity and scale of image processing tasks challenge classical convolutional neural networks (CNNs) with high computational costs. Hybrid quantum-classical convolutional neural networks (HQCNNs) show potential to improve…

Quantum Physics · Physics 2025-05-09 Kwok-Ho Ng , Tingting Song , Zhiquan Liu

The development of quantum computers has been the stimulus that enables the realization of Quantum Machine Learning (QML), an area that integrates the calculational framework of quantum mechanics with the adaptive properties of classical…

Computational Engineering, Finance, and Science · Computer Science 2025-09-04 Bhavna Bose , Saurav Verma

Federated learning (FL) focuses on collaborative model training without the need to move the private data silos to a central server. Despite its several benefits, the classical FL is plagued with several limitations, such as high…

Quantum Physics · Physics 2025-10-21 Siva Sai , Abhishek Sawaika , Prabhjot Singh , Rajkumar Buyya

Spiking Neural Networks (SNNs) have gained huge attention as a potential energy-efficient alternative to conventional Artificial Neural Networks (ANNs) due to their inherent high-sparsity activation. However, most prior SNN methods use…

Neural and Evolutionary Computing · Computer Science 2022-07-22 Youngeun Kim , Yuhang Li , Hyoungseob Park , Yeshwanth Venkatesha , Priyadarshini Panda

Quantum neural networks converge faster and achieve higher accuracy than classical models. However, data augmentation in quantum machine learning remains underexplored. To tackle data scarcity, we integrate quantum generative adversarial…

Machine Learning · Computer Science 2025-06-02 Run-Ze He , Jun-Jian Su , Su-Juan Qin , Zheng-Ping Jin , Fei Gao

Quantum Machine Learning (QML) is an emerging field of research with potential applications to distributed collaborative learning, such as Split Learning (SL). SL allows resource-constrained clients to collaboratively train ML models with a…

Quantum Physics · Physics 2025-07-08 Hevish Cowlessur , Chandra Thapa , Tansu Alpcan , Seyit Camtepe

In the past decade, remarkable progress has been achieved in deep learning related systems and applications. In the post Moore's Law era, however, the limit of semiconductor fabrication technology along with the increasing data size have…

Quantum Physics · Physics 2022-04-04 Samuel A. Stein , Betis Baheri , Daniel Chen , Ying Mao , Qiang Guan , Ang Li , Shuai Xu , Caiwen Ding

Convolutional Neural Networks (CNN) are used mainly to treat problems with many images characteristic of Deep Learning. In this work, we propose a hybrid image classification model to take advantage of quantum and classical computing. The…

Quantum Physics · Physics 2021-04-10 Parfait Atchade-Adelomou , Guillermo Alonso-Linaje

In this paper, we present a novel multi-objective hardware-aware neural architecture search (NAS) framework, namely HSCoNAS, to automate the design of deep neural networks (DNNs) with high accuracy but low latency upon target hardware. To…

Machine Learning · Computer Science 2021-03-16 Xiangzhong Luo , Di Liu , Shuo Huai , Weichen Liu
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