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High Performance Computing (HPC), Artificial Intelligence (AI)/Machine Learning (ML), and Quantum Computing (QC) and communications offer immense opportunities for innovation and impact on society. Researchers in these areas depend on…

Computers and Society · Computer Science 2020-12-18 William Gropp , Sujata Banerjee , Ian Foster

Software defect prediction is a critical aspect of software quality assurance, as it enables early identification and mitigation of defects, thereby reducing the cost and impact of software failures. Over the past few years, quantum…

Software Engineering · Computer Science 2024-12-11 Md Nadim , Mohammad Hassan , Ashis Kumar Mandal , Chanchal K. Roy

High-throughput approximations of quantum mechanics calculations and combinatorial experiments have been traditionally used to reduce the search space of possible molecules, drugs and materials. However, the interplay of structural and…

Quantum Physics · Physics 2019-10-29 Alain Tchagang , Julio Valdés

Quantum machine learning (QML) is promising for potential speedups and improvements in conventional machine learning (ML) tasks (e.g., classification/regression). The search for ideal QML models is an active research field. This includes…

Quantum Physics · Physics 2022-02-07 Mahabubul Alam , Swaroop Ghosh

Methods of artificial intelligence (AI) and especially machine learning (ML) have been growing ever more complex, and at the same time have more and more impact on people's lives. This leads to explainable AI (XAI) manifesting itself as an…

Quantum Physics · Physics 2025-03-04 Raoul Heese , Thore Gerlach , Sascha Mücke , Sabine Müller , Matthias Jakobs , Nico Piatkowski

Machine learning (ML) methods are being used in almost every conceivable area of electronic structure theory and molecular simulation. In particular, ML has become firmly established in the construction of high-dimensional interatomic…

Chemical Physics · Physics 2021-06-22 Julia Westermayr , Michael Gastegger , Kristof T. Schütt , Reinhard J. Maurer

Accurate and reliable diagnosis of diseases is crucial in enabling timely medical treatment and enhancing patient survival rates. In recent years, Machine Learning has revolutionized diagnostic practices by creating classification models…

Machine Learning · Computer Science 2025-12-02 Antonio Tudisco , Deborah Volpe , Giovanna Turvani

As the rapidly evolving field of machine learning continues to produce incredibly useful tools and models, the potential for quantum computing to provide speed up for machine learning algorithms is becoming increasingly desirable. In…

Quantum Physics · Physics 2024-04-02 Anthony M. Smaldone , Gregory W. Kyro , Victor S. Batista

Geometric Machine Learning (GML) has shown that respecting non-Euclidean geometry in data spaces can significantly improve performance over naive Euclidean assumptions. In parallel, Quantum Machine Learning (QML) has emerged as a promising…

Machine Learning (ML) serves as a general-purpose, highly adaptable, and versatile framework for investigating complex systems across domains. However, the resulting computational resource demands, in terms of the number of parameters and…

Instrumentation and Methods for Astrophysics · Physics 2025-07-29 Mansur Ziiatdinov , Farida Farsian , Francesco Schilliró , Salvatore Distefano

Quantum machine learning (QML) seeks to exploit the intrinsic properties of quantum mechanical systems, including superposition, coherence, and quantum entanglement for classical data processing. However, due to the exponential growth of…

Quantum Physics · Physics 2025-10-09 Timothy Heightman , Edward Jiang , Ruth Mora-Soto , Maciej Lewenstein , Marcin Płodzień

Quantum machine learning (QML) shows promise for analyzing quantum data. A notable example is the use of quantum convolutional neural networks (QCNNs), implemented as specific types of quantum circuits, to recognize phases of matter. In…

Quantum Physics · Physics 2025-01-07 Chukwudubem Umeano , Annie E. Paine , Vincent E. Elfving , Oleksandr Kyriienko

In recent years, the dramatic progress in machine learning has begun to impact many areas of science and technology significantly. In the present perspective article, we explore how quantum technologies are benefiting from this revolution.…

Quantum Physics · Physics 2023-01-18 Mario Krenn , Jonas Landgraf , Thomas Foesel , Florian Marquardt

Recent advancements in quantum computing have positioned it as a prospective solution for tackling intricate computational challenges, with supervised learning emerging as a promising domain for its application. Despite this potential, the…

Machine Learning · Computer Science 2024-07-25 Antonio Macaluso

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

Medicine, including fields in healthcare and life sciences, has seen a flurry of quantum-related activities and experiments in the last few years (although biology and quantum theory have arguably been entangled ever since Schr\"odinger's…

Quantum Physics · Physics 2023-08-24 Frederik F. Flöther

High-quality, large-scale datasets have played a crucial role in the development and success of classical machine learning. Quantum Machine Learning (QML) is a new field that aims to use quantum computers for data analysis, with the hope of…

Quantum Physics · Physics 2021-11-19 Louis Schatzki , Andrew Arrasmith , Patrick J. Coles , M. Cerezo

Machine learning (ML) is a rapidly growing area of research in the field of particle physics, with a vast array of applications at the CERN LHC. ML has changed the way particle physicists conduct searches and measurements as a versatile…

High Energy Physics - Experiment · Physics 2024-10-01 Javier M. Duarte

Machine learning is a fascinating and exciting field within computer science. Recently, this excitement has been transferred to the quantum information realm. Currently, all proposals for the quantum version of machine learning utilize the…

Quantum Physics · Physics 2017-02-28 Hoi-Kwan Lau , Raphael Pooser , George Siopsis , Christian Weedbrook

This work describes the selection approach and analysis of existing AutoML frameworks regarding their capability of a) incorporating Quantum Machine Learning (QML) algorithms into this automated solving approach of the AutoML framing and b)…

Machine Learning · Computer Science 2023-10-09 Dennis Klau , Marc Zöller , Christian Tutschku
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