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First principles based exploration of chemical space deepens our understanding of chemistry, and might help with the design of new materials or experiments. Due to the computational cost of quantum chemistry methods and the immens number of…

Chemical Physics · Physics 2020-08-18 Bing Huang , O. Anatole von Lilienfeld

Quantum machine learning (QML) has been identified as one of the key fields that could reap advantages from near-term quantum devices, next to optimization and quantum chemistry. Research in this area has focused primarily on variational…

Quantum Physics · Physics 2022-06-01 Andrea Skolik , Sofiene Jerbi , Vedran Dunjko

Quantum machine learning (QML) requires significant quantum resources to address practical real-world problems. When the underlying quantum information exhibits hierarchical structures in the data, limitations persist in training complexity…

Quantum Physics · Physics 2026-03-24 Quoc Hoan Tran , Yasuhiro Endo , Hirotaka Oshima

Active learning (AL) is a machine learning algorithm that can achieve greater accuracy with fewer labeled training instances, for having the ability to ask oracles to label the most valuable unlabeled data chosen iteratively and…

Machine Learning · Computer Science 2022-09-30 Ruoyu Wang

Quantum computing combined with machine learning (ML) is a highly promising research area, with numerous studies demonstrating that quantum machine learning (QML) is expected to solve scientific problems more effectively than classical ML.…

Quantum Physics · Physics 2025-07-18 Liang Zhang , Yin Xu , Mohan Wu , Liang Wang , Hua Xu

Quantum Machine Learning (QML) is an exciting tool that has received significant recent attention due in part to advances in quantum computing hardware. While there is currently no formal guarantee that QML is superior to classical ML for…

High Energy Physics - Phenomenology · Physics 2023-03-22 Sulaiman Alvi , Christian Bauer , Benjamin Nachman

Machine Learning (ML) has been widely applied across numerous domains due to its ability to automatically identify informative patterns from data for various tasks. The availability of large-scale data and advanced computational power…

This study explores the application of quantum machine learning (QML) algorithms to enhance cybersecurity threat detection, particularly in the classification of malware and intrusion detection within high-dimensional datasets. Classical…

Cryptography and Security · Computer Science 2025-09-09 Tanya Joshi , Krishnendu Guha

Several proposals have been recently introduced to implement Quantum Machine Learning (QML) algorithms for the analysis of classical data sets employing variational learning means. There has been, however, a limited amount of work on the…

Quantum Physics · Physics 2022-10-04 Francesco Scala , Stefano Mangini , Chiara Macchiavello , Daniele Bajoni , Dario Gerace

Machine Learning (ML) models are trained using historical data to classify new, unseen data. However, traditional computing resources often struggle to handle the immense amount of data, commonly known as Big Data, within a reasonable time…

Quantum Physics · Physics 2024-11-01 Minati Rath , Hema Date

Quantum machine learning (QML) is a computational paradigm that seeks to apply quantum-mechanical resources to solve learning problems. As such, the goal of this framework is to leverage quantum processors to tackle optimization,…

Quantum Physics · Physics 2025-11-21 Su Yeon Chang , M. Cerezo

Quantum machine learning (QML) is an emerging field that investigates the capabilities of quantum computers for learning tasks. While QML models can theoretically offer advantages such as exponential speed-ups, challenges in data loading…

Quantum Physics · Physics 2025-11-03 Florian J. Kiwit , Bernhard Jobst , Andre Luckow , Frank Pollmann , Carlos A. Riofrío

Recent advancements in quantum computing (QC) and machine learning (ML) have fueled significant research efforts aimed at integrating these two transformative technologies. Quantum machine learning (QML), an emerging interdisciplinary…

Quantum Physics · Physics 2025-04-24 Samuel Yen-Chi Chen , Zhiding Liang

Quantum computers have the opportunity to be transformative for a variety of computational tasks. Recently, there have been proposals to use the unsimulatably of large quantum devices to perform regression, classification, and other machine…

To accelerate the process of materials design, materials science has increasingly used data driven techniques to extract information from collected data. Specially, machine learning (ML) algorithms, which span the ML discipline, have…

Accurate amine property prediction is essential for optimizing CO2 capture efficiency in post-combustion processes. Quantum machine learning (QML) can enhance predictive modeling by leveraging superposition, entanglement, and interference…

Quantum Physics · Physics 2025-06-24 Hyein Cho , Jeonghoon Kim , Hocheol Lim

Quantitative Structure-Activity Relationship (QSAR) modeling is key in drug discovery, but classical methods face limitations when handling high-dimensional data and capturing complex molecular interactions. This research proposes enhancing…

Quantum Physics · Physics 2025-07-09 Alejandro Giraldo , Daniel Ruiz , Mariano Caruso , Guido Bellomo

Nuclear materials are often demanded to function for extended time in extreme environments, including high radiation fluxes and transmutation, high temperature and temperature gradients, stresses, and corrosive coolants. They also have a…

Materials Science · Physics 2022-11-18 Dane Morgan , Ghanshyam Pilania , Adrien Couet , Blas P. Uberuaga , Cheng Sun , Ju Li

Machine learning (ML) has become an attractive tool in information processing, however few ML algorithms have been successfully applied in the quantum domain. We show here how classical reinforcement learning (RL) could be used as a tool…

Quantum Physics · Physics 2020-06-02 Jelena Mackeprang , Durga Bhaktavatsala Rao Dasari , Jörg Wrachtrup

Quantum Machine Learning (QML) presents as a revolutionary approach to weather forecasting by using quantum computing to improve predictive modeling capabilities. In this study, we apply QML models, including Quantum Gated Recurrent Units…

Quantum Physics · Physics 2025-09-15 Saiyam Sakhuja , Shivanshu Siyanwal , Abhishek Tiwari , Britant , Savita Kashyap