相关论文: Quantum Convolution for Structure-Based Virtual Sc…

In structure-based virtual screening, it is often necessary to evaluate the binding free energy of protein-ligand complexes by considering not only molecular conformations but also how these structures shift and rotate in space. The number…

Structure-based virtual screening (SBVS) is a key workflow in computational drug discovery. SBVS models are assessed by measuring the enrichment of known active molecules over decoys in retrospective screens. However, the standard formula…

Structure-based virtual screening must address a combinatorial explosion arising from up to 10^60 drug-like molecules, multiple conformations of proteins and ligands, and all possible spatial translations and rotations of ligands within the…

Machine Learning (ML) for Ligand Based Virtual Screening (LB-VS) is an important in-silico tool for discovering new drugs in a faster and cost-effective manner, especially for emerging diseases such as COVID-19. In this paper, we propose a…

Accurate classification of brain tumors from MRI scans is critical for effective treatment planning. This study presents a Hybrid Quantum Convolutional Neural Network (HQCNN) that integrates quantum feature-encoding circuits with depth-wise…

Equivariant quantum neural networks (QNNs) are promising variational models that exploit symmetries to improve machine learning capabilities. Despite theoretical developments in equivariant QNNs, their implementation on near-term quantum…

Early identification of abnormal physiological patterns is essential for the timely detection of cardiac disease. This work introduces a hybrid quantum-classical convolutional neural network (QCNN) designed to classify S3 and murmur…

Virtual screening (VS) is an essential task in drug discovery, focusing on the identification of small-molecule ligands that bind to specific protein pockets. Existing deep learning methods, from early regression models to recent…

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…

The quantum convolutional neural network (QCNN) is a promising quantum machine learning (QML) model that is expected to achieve quantum advantages in classically intractable problems. However, the QCNN requires a large number of…

The rapid growth of computer vision and increasingly complex image recognition tasks has exposed fundamental computational limitations of classical machine learning models, motivating the exploration of quantum computing as an emerging new…

Quantum machine learning has emerged as a promising approach to improve feature extraction and classification tasks in high-dimensional data domains such as medical imaging. In this work, we present a hybrid Quantum-Classical Convolutional…

This study evaluates the use of Quantum Convolutional Neural Networks (QCNNs) for identifying signals resembling Gamma-Ray Bursts (GRBs) within simulated astrophysical datasets in the form of light curves. The task addressed here focuses on…

Speech-based machine learning systems are sensitive to noise, complicating reliable deployment in emotion recognition and voice pathology detection. We evaluate the robustness of a hybrid quantum machine learning model, quanvolutional…

A brain-computer interface (BCI) system enables direct communication between the brain and external devices, offering significant potential for assistive technologies and advanced human-computer interaction. Despite progress, BCI systems…

Virtual screening (VS) is an essential technique for understanding biomolecular interactions, particularly, drug design and discovery. The best-performing VS models depend vitally on three-dimensional (3D) structures, which are not…

Structure-based virtual screening (SBVS) is a promising in silico technique that integrates computational methods into drug design. An extensively used method in SBVS is molecular docking. However, the docking process can hardly be…

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…

In this study, we propose a quantum convolutional neural network (QCNN)-based framework with the neural quantum embedding (NQE) to predict HIV-1 protease cleavage sites in amino acid sequences from viral and human proteins. To assess the…

This study investigates the application of quantum neural networks (QNNs) for propensity score estimation to address selection bias in comparing survival outcomes between laparoscopic and open surgical techniques in a cohort of 1177…