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Related papers: The fundamentals of quantum machine learning

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Chemical compound space (CCS), the set of all theoretically conceivable combinations of chemical elements and (meta-)stable geometries that make up matter, is colossal. The first principles based virtual sampling of this space, for example…

Chemical Physics · Physics 2021-06-23 Bing Huang , O. Anatole von Lilienfeld

The advent of quantum computing has opened new possibilities in data science, offering unique capabilities for addressing complex, data-intensive problems. Traditional machine learning algorithms often face challenges in high-dimensional or…

Quantum Physics · Physics 2025-02-13 Sanjeev Naguleswaran

Quantum machine learning (QML) has attracted growing interest with the rapid parallel advances in large-scale classical machine learning and quantum technologies. Similar to classical machine learning, QML models also face challenges…

Quantum machine learning (QML) holds promise for accelerating pattern recognition, optimization, and data analysis, but the conditions under which it can truly outperform classical approaches remain unclear. Existing research often…

Quantum Physics · Physics 2025-09-23 Christophe Pere

The development of quantum technologies relies on creating and manipulating quantum systems of increasing complexity, with key applications in computation, simulation, and sensing. This poses severe challenges in efficient control,…

Quantum Physics · Physics 2025-09-09 Hailan Ma , Bo Qi , Ian R. Petersen , Re-Bing Wu , Herschel Rabitz , Daoyi Dong

Quantum matter, the research field studying phases of matter whose properties are intrinsically quantum mechanical, draws from areas as diverse as hard condensed matter physics, materials science, statistical mechanics, quantum information,…

Computational Physics · Physics 2020-08-21 Juan Carrasquilla

Quantum Machine Learning (QML) algorithms to solve classifications problems have been made available thanks to recent advancements in quantum computation. While the number of qubits are still relatively small, they have been used for…

Quantum Physics · Physics 2020-12-08 Paul-Aymeric McRae , Michael Hilke

Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for a machine learning revolution and have already been profoundly impacted by the…

Chemical Physics · Physics 2019-11-11 Frank Noé , Alexandre Tkatchenko , Klaus-Robert Müller , Cecilia Clementi

Quantum Machine Learning (QML) offers tremendous potential but is currently limited by the availability of qubits. We introduce an innovative approach that utilizes pre-trained neural networks to enhance Variational Quantum Circuits (VQC).…

Machine Learning · Computer Science 2024-11-14 Jun Qi , Chao-Han Yang , Samuel Yen-Chi Chen , Pin-Yu Chen , Hector Zenil , Jesper Tegner

An overarching milestone of quantum machine learning (QML) is to demonstrate the advantage of QML over all possible classical learning methods in accelerating a common type of learning task as represented by supervised learning with…

Quantum Physics · Physics 2023-12-07 Hayata Yamasaki , Natsuto Isogai , Mio Murao

The combination of modern scientific computing with electronic structure theory can lead to an unprecedented amount of data amenable to intelligent data analysis for the identification of meaningful, novel, and predictive structure-property…

Quantum Machine Learning (QML) has emerged as a promising intersection of quantum computing and classical machine learning, anticipated to drive breakthroughs in computational tasks. This paper discusses the question which security concerns…

Machine learning is among the most widely anticipated use cases for near-term quantum computers, however there remain significant theoretical and implementation challenges impeding its scale up. In particular, there is an emerging body of…

Quantum Physics · Physics 2023-09-20 Maxwell T. West , Martin Sevior , Muhammad Usman

Quantum Machine Learning(QML) is developed by combining quantum mechanics principles with classical machine learning techniques in a hybrid framework that can give faster, exponential, more efficient power of quantum computing with the data…

Quantum Physics · Physics 2026-01-27 Pallab Biswas , Tamal Maity

The identification and use of structure property relationships lies at the heart of the chemical sciences. Quantum mechanics forms the basis for the unbiased virtual exploration of chemical compound space (CCS), imposing substantial compute…

Chemical Physics · Physics 2019-11-01 Anders S. Christensen , O. Anatole von Lilienfeld

Quantum machine learning (QML) is a fast-growing discipline within quantum computing. One popular QML algorithm, quantum kernel estimation, uses quantum circuits to estimate a similarity measure (kernel) between two classical feature…

Quantum Physics · Physics 2023-07-12 Travis L. Scholten , Derrick Perry , Joseph Washington , Jennifer R. Glick , Thomas Ward

Quantum machine learning (QML) requires powerful, flexible and efficiently trainable models to be successful in solving challenging problems. We introduce density quantum neural networks, a model family that prepares mixtures of trainable…

The past decade has witnessed significant advancements in quantum hardware, encompassing improvements in speed, qubit quantity, and quantum volume-a metric defining the maximum size of a quantum circuit effectively implementable on…

Quantum Physics · Physics 2024-06-11 Yaswitha Gujju , Atsushi Matsuo , Rudy Raymond

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

The increasing number of cyber threats and rapidly evolving tactics, as well as the high volume of data in recent years, have caused classical machine learning, rules, and signature-based defence strategies to fail, rendering them unable to…

Machine Learning · Computer Science 2025-12-18 Siva Sai , Ishika Goyal , Shubham Sharma , Sri Harshita Manuri , Vinay Chamola , Rajkumar Buyya