arXiv:2204.04198 · Cambridge University Press eBooks
Modern applications of machine learning in quantum sciences
Anna Dawid, Julian Arnold, Borja Requena, Alexander Gresch, Marcin Płodzień, Kaelan Donatella, Kim A. Nicoli, Paolo Stornati, Rouven Koch, Miriam Büttner, Robert Okuła, Gorka Muñoz-Gil, Rodrigo A. Vargas–Hernández, Alba Cervera-Lierta, Juan Carrasquilla, Vedran Dunjko, Marylou Gabrié, Patrick Huembeli, Evert van Nieuwenburg, Filippo Vicentini, Lei Wang, Sebastian J. Wetzel, Giuseppe Carleo, Eliška Greplová, Roman V. Krems, Florian Marquardt, Michał Tomza, Maciej Lewenstein, Alexandre Dauphin
In this book, we provide a comprehensive introduction to the most recent advances in the application of machine learning methods in quantum sciences. We cover the use of deep learning and kernel methods in supervised, unsupervised, and reinforcement learning algorithms for phase classification, representation of many-body quantum states, quantum feedback control, and quantum circuits optimization. Moreover, we introduce and discuss more specialized topics such as differentiable programming, generative models, statistical approach to machine learning, and quantum machine learning.
In this book, we provide a comprehensive introduction to the most recent advances in the application of machine learning methods in quantum sciences. We cover the use of deep learning and kernel methods in supervised, unsupervised, and reinforcement learning algorithms for phase classification, representation of many-body quantum states, quantum feedback control, and quantum circuits optimization. Moreover, we introduce and discuss more specialized topics such as differentiable programming, generative models, statistical approach to machine learning, and quantum machine learning.
This chapter discusses more specialized examples on how machine learning can be used to solve problems in quantum sciences. We start by explaining the concept of differentiable programming and its use cases in quantum sciences. Next, we describe deep generative models, which have proven to be an extremely appealing tool for sampling from unknown target distributions in domains ranging from high-energy physics to quantum chemistry. Finally, we describe selected machine learning applications for experimental setups such as ultracold systems or quantum dots. In particular, we show how machine learning can help in tedious and repetitive experimental tasks in quantum devices or in validating quantum simulators with Hamiltonian learning.
The rapid advancement of artificial intelligence has positioned Machine Learning (ML) as a cornerstone technology across scientific and industrial domains. In parallel, the emergence of quantum computing has catalyzed a new interdisciplinary field—Quantum Machine Learning (QML)—which promises to transcend the computational barriers faced by classical algorithms. This review paper systematically examines the evolution of ML from foundational statistical models to contemporary transformer architectures, and provides a structured analysis of QML paradigms including variational quantum circuits (VQCs), quantum kernel methods, and quantum neural networks (QNNs). Drawing from 95+ peer-reviewed publications indexed in Scopus and Science Citation Index (SCI) journals—with particular emphasis on 2025–2026 publications in IEEE Access, Nature Communications, Nature Computational Science, and Physical Review Letters—we analyze performance benchmarks, identify hardware constraints, and outline algorithmic innovations shaping the near-term quantum advantage landscape. Our findings indicate that while classical ML retains superiority in large-scale perception tasks, QML demonstrates significant advantages in combinatorial optimization and quantum chemistry simulation. Recent 2025 advances in error mitigation on superconducting qubits and improved VQC barren-plateau mitigation are narrowing this gap rapidly. The paper concludes with a forward-looking research agenda covering fault-tolerant QML, hybrid architectures, and quantum NLP.
This monograph is motivated by a number of recent developments that appear to define a possible new role for researchers with an engineering profile. First, there are now several software libraries – such as IBM’s Qiskit, Google’s Cirq, and Xanadu’s PennyLane – that make programming quantum algorithms more accessible, while also providing cloud-based access to actual quantum computers. Second, a new framework is emerging for programming quantum algorithms to be run on current quantum hardware: quantum machine learning. In the current noisy intermediate-scale quantum (NISQ) era, quantum machine learning is emerging as a dominant paradigm to program gate-based quantum computers. In quantum machine learning, the gates of a quantum circuit are parametrized, and the parameters are tuned via classical optimization based on data and on measurements of the outputs of the circuit. Parametrized quantum circuits (PQCs) can efficiently address combinatorial optimization problems, implement probabilistic generative models, and carry out inference (classification and regression). This monograph provides a self-contained introduction to quantum machine learning for an audience of engineers with a background in probability and linear algebra. It first describes the background, concepts, and tools necessary to describe quantum operations and measurements. Then, it covers parametrized quantum circuits, the variational quantum eigensolver, as well as unsupervised and supervised quantum machine learning formulations.
In the current noisy intermediate-scale quantum (NISQ)era, quantum machine learning is emerging as a dominant paradigm to program gate-based quantum computers. In quantum machine learning, the gates of a quantum circuit are parameterized, and the parameters are tuned via classical optimization based on data and on measurements of the outputs of the circuit. Parameterized quantum circuits (PQCs) can efficiently address combinatorial optimization problems, implement probabilistic generative models, and carry out inference (classification and regression). This monograph provides a self-contained introduction to quantum machine learning for an audience of engineers with a back groundin probability and linear algebra. It first describes the necessary background, concepts, and tools necessary to describe quantum operations and measurements. Then,it covers parameterized quantum circuits, the variation alquantum eigensolver, as well as unsupervised and supervised quantum machine learning formulations.
In the current noisy intermediate-scale quantum (NISQ) era, quantum machine learning is emerging as a dominant paradigm to program gate-based quantum computers. In quantum machine learning, the gates of a quantum circuit are parametrized, and the parameters are tuned via classical optimization based on data and on measurements of the outputs of the circuit. Parametrized quantum circuits (PQCs) can efficiently address combinatorial optimization problems, implement probabilistic generative models, and carry out inference (classification and regression). This monograph provides a self-contained introduction to quantum machine learning for an audience of engineers with a background in probability and linear algebra. It first describes the necessary background, concepts, and tools necessary to describe quantum operations and measurements. Then, it covers parametrized quantum circuits, the variational quantum eigensolver, as well as unsupervised and supervised quantum machine learning formulations.
These brief lecture notes cover the basics of neural networks and deep learning as well as their applications in the quantum domain, for physicists without prior knowledge. In the first part, we describe training using back-propagation, image classification, convolutional networks and autoencoders.The second part is about advanced techniques like reinforcement learning (for discovering control strategies), recurrent neural networks (for analyzing timetraces), and Boltzmann machines (for learning probability distributions). In the third lecture, we discuss first recent applications to quantum physics, with an emphasis on quantum information processing machines. Finally, the fourth lecture is devoted to the promise of using quantum effects to accelerate machine learning.