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Predicting whether a molecule can cross the blood-brain barrier (BBB) is a key step in early-stage neuro-pharmaceutical design, directly influencing the efficiency and success rate of drug development. Traditional methods based on…

Quantitative Methods · Quantitative Biology 2026-03-16 Zihan Yang , Yuchen Xiao

The rapid progress of noisy intermediate-scale quantum (NISQ) computing underscores the need to test and evaluate new devices and applications. Quantum chemistry is a key application area for these devices, and therefore serves as an…

In recent years, quantum computing has drawn significant interest within the field of high-energy physics. We explore the potential of quantum algorithms to resolve the combinatorial problems in particle physics experiments. As a concrete…

High Energy Physics - Phenomenology · Physics 2024-11-12 Jacob L. Scott , Zhongtian Dong , Taejoon Kim , Kyoungchul Kong , Myeonghun Park

We propose an approach to generative quantum machine learning that overcomes the fundamental scaling issues of variational quantum circuits. The core idea is to use a class of generative models based on instantaneous quantum polynomial…

Quantum Physics · Physics 2026-02-09 Erik Recio-Armengol , Shahnawaz Ahmed , Joseph Bowles

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

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…

The integration of quantum machine learning with classical deep learning offers promising avenues for medical image analysis by mapping data into high-dimensional Hilbert spaces. However, effectively unifying these distinct paradigms…

Computer Vision and Pattern Recognition · Computer Science 2026-04-28 Yasmin Rodrigues Sobrinho , João Renato Ribeiro Manesco , João Paulo Papa

Hybrid quantum-classical learning models increasingly integrate neural networks with variational quantum circuits (VQCs) to exploit complementary inductive biases. However, many existing approaches rely on tightly coupled architectures or…

Machine Learning · Computer Science 2026-01-30 Jun Qi , Chao-Han Huck Yang , Pin-Yu Chen , Min-Hsiu Hsieh , Hector Zenil , Jesper Tegner

Quantum Computing (QC) offers the potential to enhance traditional High-Performance Computing (HPC) workloads by leveraging the unique properties of quantum computers, leading to the emergence of a new paradigm: HPC-QC. While this…

Quantum computing holds promise across various fields, particularly with the advent of Noisy Intermediate-Scale Quantum (NISQ) devices, which can outperform classical supercomputers in specific tasks. However, challenges such as noise and…

Molecular docking is an important tool for structure-based drug design, accelerating the efficiency of drug development. Complex and dynamic binding processes between proteins and small molecules require searching and sampling over a wide…

Chemical Physics · Physics 2024-02-23 Runqiu Shu , Bowen Liu , Zhaoping Xiong , Xiaopeng Cui , Yunting Li , Wei Cui , Man-Hong Yung , Nan Qiao

Artificial Intelligence (AI) systems have shown good success at classifying. However, the lack of explainability is a true and significant challenge, especially in high-stakes domains, such as health and finance, where understanding is…

Machine Learning · Computer Science 2026-01-14 A. M. A. S. D. Alagiyawanna , Asoka Karunananda , Thushari Silva , A. Mahasinghe

Quantum machine learning algorithms could provide significant speed-ups over their classical counterparts; however, whether they could also achieve good generalization remains unclear. Recently, two quantum perceptron models which give a…

Quantum Physics · Physics 2022-06-22 Mathieu Roget , Giuseppe Di Molfetta , Hachem Kadri

Quantum Machine Learning represents a paradigm shift at the intersection of Quantum Computing and Machine Learning, leveraging quantum phenomena such as superposition, entanglement, and quantum parallelism to address the limitations of…

Quantum Physics · Physics 2025-01-17 Sahil Tomar , Rajeshwar Tripathi , Sandeep Kumar

Quantum generative models offer a novel approach to exploring high-dimensional Hilbert spaces but face significant challenges in scalability and expressibility when applied to multi-modal distributions. In this study, we explore a Hybrid…

Quantum Physics · Physics 2026-02-06 Jeongbin Jo , Santanam Wishal , Shah Md Khalil Ullah , Shan Zeng , Dikshant Dulal

Recent advances in quantum computing have opened new pathways for enhancing deep learning architectures, particularly in domains characterized by high-dimensional and context-rich data such as natural language processing (NLP). In this…

Computation and Language · Computer Science 2025-06-30 S. M. Yousuf Iqbal Tomal , Abdullah Al Shafin , Debojit Bhattacharjee , MD. Khairul Amin , Rafiad Sadat Shahir

Hybrid quantum neural networks are increasingly explored for classification, yet it remains unclear how their performance and quantum behavior scale with circuit depth and qubit count. We present a controlled scaling study of hybrid…

Quantum Physics · Physics 2026-04-08 Danil Vyskubov , Kirill Vyskubov , Nouhaila Innan , Muhammad Shafique

Variational quantum algorithms (VQAs) utilize a hybrid quantum-classical architecture to recast problems of high-dimensional linear algebra as ones of stochastic optimization. Despite the promise of leveraging near- to intermediate-term…

Quantum Physics · Physics 2022-11-08 Oliver Knitter , James Stokes , Shravan Veerapaneni

Quantum computers are gaining attention for their ability to solve certain problems faster than classical computers, and one example is the quantum expectation estimation algorithm that accelerates the widely-used Monte Carlo method in…

Quantum Physics · Physics 2023-08-11 Yuichi Sano , Ryosuke Koga , Masaya Abe , Kei Nakagawa

Quantum Machine Learning algorithms based on Variational Quantum Circuits (VQCs) are important candidates for useful application of quantum computing. It is known that a VQC is a linear model in a feature space determined by its…

Quantum Physics · Physics 2025-07-09 Slimane Thabet , Léo Monbroussou , Eliott Z. Mamon , Jonas Landman
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