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Virtual screening plays a critical role in modern drug discovery by enabling the identification of promising candidate molecules for experimental validation. Traditional machine learning methods such, as Support Vector Machines (SVM) and…

Machine Learning · Computer Science 2025-04-29 Radia Berreziga , Mohammed Brahimi , Khairedine Kraim , Hamid Azzoune

Artificial neural networks have achieved great success in many fields ranging from image recognition to video understanding. However, its high requirements for computing and memory resources have limited further development on processing…

Quantum Physics · Physics 2021-08-05 Yanxuan Lü , Qing Gao , Jinhu Lü , Maciej Ogorzałek , Jin Zheng

Quantum machine learning is a rapidly growing field at the intersection of quantum computing and machine learning. In this work, we examine our quantum machine learning models, which are based on quantum support vector classification (QSVC)…

Quantum Physics · Physics 2024-05-02 Teppei Suzuki , Takashi Hasebe , Tsubasa Miyazaki

Quantum computing crucially relies on the ability to efficiently characterize the quantum states output by quantum hardware. Conventional methods which probe these states through direct measurements and classically computed correlations…

Quantum machine learning has emerged as a promising approach for medical image analysis, particularly in settings where compact models and expressive feature representations are desired. This paper presents a hybrid classical--quantum…

Computer Vision and Pattern Recognition · Computer Science 2026-05-01 Shabnam Sodagari , Tommy Long

This study explores the application of Quantum Convolutional Neural Networks (QCNNs) for brain tumor classification using MRI images, leveraging quantum computing for enhanced computational efficiency. A dataset of 3,264 MRI images,…

While classical convolutional neural networks (CNNs) have revolutionized image classification, the emergence of quantum computing presents new opportunities for enhancing neural network architectures. Quantum CNNs (QCNNs) leverage quantum…

Quantum Physics · Physics 2025-05-16 Peter Röseler , Oliver Schaudt , Helmut Berg , Christian Bauckhage , Matthias Koch

Large machine learning models based on Convolutional Neural Networks (CNNs) with rapidly increasing number of parameters, trained with massive amounts of data, are being deployed in a wide array of computer vision tasks from self-driving…

Computer Vision and Pattern Recognition · Computer Science 2021-10-14 Rishab Parthasarathy , Rohan Bhowmik

Over the past decade, machine learning revolutionized vision-based quality assessment for which convolutional neural networks (CNNs) have now become the standard. In this paper, we consider a potential next step in this development and…

Quantum Physics · Physics 2022-06-09 Barry D. Reese , Marek Kowalik , Christian Metzl , Christian Bauckhage , Eldar Sultanow

Hybrid quantum-classical models represent a crucial step toward leveraging near-term quantum devices for sequential data processing. We present Quantum Recurrent Neural Networks (QRNNs) and Quantum Convolutional Neural Networks (QCNNs) as…

Quantum Physics · Physics 2025-12-16 Stefan Balauca , Ada-Astrid Balauca , Adrian Iftene

In recent years, with the development of quantum machine learning, quantum neural networks (QNNs) have gained increasing attention in the field of natural language processing (NLP) and have achieved a series of promising results. However,…

Quantum Physics · Physics 2024-05-24 Yixiong Chen , Weichuan Fang

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

Continuous-variable (CV) quantum computing offers a promising framework for scalable quantum machine learning, leveraging optical systems with infinite-dimensional Hilbert spaces. While discrete-variable (DV) quantum neural networks have…

Quantum Physics · Physics 2025-11-05 Daniel Alejandro Lopez , Oscar Montiel , Oscar Castillo , Miguel Lopez-Montiel

Hierarchical quantum classifiers, such as quantum convolutional neural networks (QCNNs), represent recent progress toward designing effective and feasible architectures for quantum classification. However, their performance on near-term…

Quantum Physics · Physics 2026-02-26 Taehyun Kim , Israel F. Araujo , Daniel K. Park

In this work, we are introducing a Quantum-Classical Bayesian Neural Network (QCBNN) that is capable to perform uncertainty-aware classification of classical medical dataset. This model is a symbiosis of a classical Convolutional NN that…

Quantum Physics · Physics 2024-06-11 Alona Sakhnenko , Julian Sikora , Jeanette Miriam Lorenz

Computational approaches to drug discovery can reduce the time and cost associated with experimental assays and enable the screening of novel chemotypes. Structure-based drug design methods rely on scoring functions to rank and predict…

Machine Learning · Statistics 2020-10-19 Matthew Ragoza , Joshua Hochuli , Elisa Idrobo , Jocelyn Sunseri , David Ryan Koes

Quantum Machine Learning (QML) has recently emerged as a highly promising research frontier. Within this domain, Quantum Neural Networks (QNNs),characterized by Variational Quantum Circuits (VQCs) at their core and featuring layers of…

Quantum Physics · Physics 2026-04-30 Ban Q. Tran , Duong M. Chu , Hai T. D. Pham , Viet Q. Nguyen , Quan A. Pham , Susan Mengel

Structure-based virtual screening aims to identify high-affinity ligands by estimating binding free energies between proteins and small molecules. However, the conformational flexibility of both proteins and ligands challenges conventional…

Biomolecules · Quantitative Biology 2025-07-15 Pei-Kun Yang

Quantum machine learning is one of the most promising applications of quantum computing in the Noisy Intermediate-Scale Quantum(NISQ) era. Here we propose a quantum convolutional neural network(QCNN) inspired by convolutional neural…

Quantum Physics · Physics 2021-04-23 ShiJie Wei , YanHu Chen , ZengRong Zhou , GuiLu Long

Recently, quantum convolutional neural networks (QCNNs) are proposed, harnessing the power of quantum computing for faster training compared to the classical counterparts. However, this framework for deep learning also relies on multiple…

Quantum Physics · Physics 2024-12-12 Yifan Sun , Xiangdong Zhang