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Machine learning (ML) provides access to fast and accurate quantum chemistry (QC) calculations for various properties of interest such as excitation energies. It is often the case that high accuracy in prediction using an ML model, demands…

Chemical Physics · Physics 2024-03-13 Vivin Vinod , Ulrich Kleinekathöfer , Peter Zaspel

A new paradigm for data science has emerged, with quantum data, quantum models, and quantum computational devices. This field, called Quantum Machine Learning (QML), aims to achieve a speedup over traditional machine learning for data…

Quantum Physics · Physics 2023-05-24 Supanut Thanasilp , Samson Wang , Nhat A. Nghiem , Patrick J. Coles , M. Cerezo

Climate change and its impact on global sustainability are critical challenges, demanding innovative solutions that combine cutting-edge technologies and scientific insights. Quantum machine learning (QML) has emerged as a promising…

Machine Learning · Computer Science 2023-10-16 Amal Nammouchi , Andreas Kassler , Andreas Theorachis

Machine learning and quantum computing are two technologies each with the potential for altering how computation is performed to address previously untenable problems. Kernel methods for machine learning are ubiquitous for pattern…

Multi-task learning (MTL) improves generalization and data efficiency by jointly learning related tasks through shared representations. In the widely used hard-parameter-sharing setting, a shared backbone is combined with task-specific…

Machine Learning · Computer Science 2026-04-16 Hevish Cowlessur , Chandra Thapa , Tansu Alpcan , Seyit Camtepe

The development of quantum computers has been the stimulus that enables the realization of Quantum Machine Learning (QML), an area that integrates the calculational framework of quantum mechanics with the adaptive properties of classical…

Computational Engineering, Finance, and Science · Computer Science 2025-09-04 Bhavna Bose , Saurav Verma

Hybrid Quantum-Classical Machine Learning (ML) is an emerging field, amalgamating the strengths of both classical neural networks and quantum variational circuits on the current noisy intermediate-scale quantum devices. This paper performs…

In the last few years, quantum computing has experienced a growth spurt. One exciting avenue of quantum computing is quantum machine learning (QML) which can exploit the high dimensional Hilbert space to learn richer representations from…

Cryptography and Security · Computer Science 2022-04-08 Satwik Kundu , Swaroop Ghosh

Quantum machine learning with quantum kernels for classification problems is a growing area of research. Recently, quantum kernel alignment techniques that parameterise the kernel have been developed, allowing the kernel to be trained and…

The learning rate is one of the most important hyperparameters in deep learning, and how to control it is an active area within both AutoML and deep learning research. Approaches for learning rate control span from classic optimization to…

Machine Learning · Computer Science 2025-07-03 Micha Henheik , Theresa Eimer , Marius Lindauer

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

By leveraging the principles of quantum mechanics, QML opens doors to novel approaches in machine learning and offers potential speedup. However, machine learning models are well-documented to be vulnerable to malicious manipulations, and…

Machine Learning · Computer Science 2024-11-12 Bacui Li , Tansu Alpcan , Chandra Thapa , Udaya Parampalli

Machine learning (ML) has been leveraged to tackle a diverse range of tasks in almost all branches of nuclear engineering. Many of the successes in ML applications can be attributed to the recent performance breakthroughs in deep learning,…

Systems and Control · Electrical Eng. & Systems 2025-03-25 Xu Wu , Lesego E. Moloko , Pavel M. Bokov , Gregory K. Delipei , Joshua Kaizer , Kostadin N. Ivanov

Quantum Computing (QC) offers outstanding potential for molecular characterization and drug discovery, particularly in solving complex properties like the Ground State Energy (GSE) of biomolecules. However, QC faces challenges due to…

Chemical Physics · Physics 2024-12-17 Laia Coronas Sala , Parfait Atchade-Adelemou

Training machine learning (ML) algorithms is a computationally intensive process, which is frequently memory-bound due to repeatedly accessing large training datasets. As a result, processor-centric systems (e.g., CPU, GPU) suffer from…

Hardware Architecture · Computer Science 2023-09-07 Juan Gómez-Luna , Yuxin Guo , Sylvan Brocard , Julien Legriel , Remy Cimadomo , Geraldo F. Oliveira , Gagandeep Singh , Onur Mutlu

The performance of neural network classifiers is determined by a number of hyperparameters, including learning rate, batch size, and depth. A number of attempts have been made to explore these parameters in the literature, and at times, to…

Neural and Evolutionary Computing · Computer Science 2015-08-13 Thomas M. Breuel

The last two decades have seen an explosive growth in the theory and practice of both quantum computing and machine learning. Modern machine learning systems process huge volumes of data and demand massive computational power. As silicon…

Quantum Physics · Physics 2020-06-23 Viraj Kulkarni , Milind Kulkarni , Aniruddha Pant

Solving electronic structure problems represents a promising field of application for quantum computers. Currently, much effort has been spent in devising and optimizing quantum algorithms for quantum chemistry problems featuring up to…

The rapid advancements in quantum computing (QC) and machine learning (ML) have led to the emergence of quantum machine learning (QML), which integrates the strengths of both fields. Among QML approaches, variational quantum circuits…

Here we will give a perspective on new possible interplays between Machine Learning and Quantum Physics, including also practical cases and applications. We will explore the ways in which machine learning could benefit from new quantum…

Quantum Physics · Physics 2021-08-24 Lorenzo Buffoni , Filippo Caruso