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Accurate simulations of atomistic systems from first principles are limited by computational cost. In high-throughput settings, machine learning can reduce these costs significantly by accurately interpolating between reference…

Chemical Physics · Physics 2022-11-28 Haoyan Huo , Matthias Rupp

Quantum kernels hold great promise for offering computational advantages over classical learners, with the effectiveness of these kernels closely tied to the design of the quantum feature map. However, the challenge of designing effective…

Quantum Physics · Physics 2024-01-23 Cong Lei , Yuxuan Du , Peng Mi , Jun Yu , Tongliang Liu

These notes provide a self-contained introduction to kernel methods and their geometric foundations in machine learning. Starting from the construction of Hilbert spaces, we develop the theory of positive definite kernels, reproducing…

This article gives an overview and a perspective of recent theoretical proposals and their experimental implementations in the field of quantum machine learning. Without an aim to being exhaustive, the article reviews specific high-impact…

Quantum Physics · Physics 2023-05-03 Lucas Lamata

Nuclear magnetic resonance offers an appealing prospect for implementation of quantum computers, because of the long coherence times associated with nuclear spins, and extensive laboratory experience in manipulating the spins with radio…

Quantum Physics · Physics 2007-05-23 Leonard J. Schulman , Umesh Vazirani

Nuclear magnetic resonance is arguably both the best available quantum technology for implementing simple quantum computing experiments and the worst technology for building large scale quantum computers that has ever been seriously put…

Quantum Physics · Physics 2024-06-18 Jonathan A. Jones

Dynamical quantum phase transition is a critical phenomenon involving out-of-equilibrium states and broken symmetries without classical analogy. However, when finite-sized systems are analyzed, dynamical singularities of the rate function…

Quantum Physics · Physics 2024-05-28 Diego Tancara , José Fredes , Ariel Norambuena

Improvement of statistical learning models in order to increase efficiency in solving classification or regression problems is still a goal pursued by the scientific community. In this way, the support vector machine model is one of the…

Machine Learning · Statistics 2019-11-22 Anderson Ara , Mateus Maia , Samuel Macêdo , Francisco Louzada

The ability to perform ab initio molecular dynamics simulations using potential energies calculated on quantum computers would allow virtually exact dynamics for chemical and biochemical systems, with substantial impacts on the fields of…

We review recent studies dealing with the generation of machine learning models of molecular and solid properties. The models are trained and validated using standard quantum chemistry results obtained for organic molecules and materials…

Chemical Physics · Physics 2016-05-13 Raghunathan Ramakrishnan , O. Anatole von Lilienfeld

A learning machine, like all machines, is an open system driven far from thermal equilibrium by access to a low entropy source of free energy. We discuss the connection between machines that learn, with low probability of error, and the…

Quantum Physics · Physics 2023-02-01 G. J. Milburn , Sahar Basiri-Esfahani

Currently, quantum hardware is restrained by noises and qubit numbers. Thus, a quantum virtual machine that simulates operations of a quantum computer on classical computers is a vital tool for developing and testing quantum algorithms…

Quantum Physics · Physics 2022-06-10 Chuong Nguyen Quoc , Le Bin Ho , Lan Nguyen Tran , Hung Q. Nguyen

Quantum machine learning integrates the strengths of quantum computing and machine learning, enabling models to learn complex features using fewer parameters than their classical counterparts. Due to the increasing complexity of quantum…

Quantum Physics · Physics 2026-05-04 Emma Andrews , Prabhat Mishra

Quantum machine learning is a rapidly growing field at the intersection of quantum computing and machine learning. In this work, we examine our quantum machine learning models, which are based on quantum support vector classification (QSVC)…

Quantum Physics · Physics 2024-05-02 Teppei Suzuki , Takashi Hasebe , Tsubasa Miyazaki

Quantum computing exploits fundamentally new models of computation based on quantum mechanical properties instead of classical physics, and it is believed that quantum computers are able to dramatically improve computational power for…

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…

Systems of interacting quantum spins show a rich spectrum of quantum phases and display interesting many-body dynamics. Computing characteristics of even small systems on conventional computers poses significant challenges. A quantum…

Quantum and classical machine learning have been naturally connected through kernel methods, which have also served as proof-of-concept for quantum advantage. Quantum embeddings encode classical data into quantum feature states, enabling…

Quantum Physics · Physics 2025-07-01 Pablo Rodriguez-Grasa , Yue Ban , Mikel Sanz

Simulations of quantum chemistry and quantum materials are believed to be among the most important potential applications of quantum information processors, but realizing practical quantum advantage for such problems is challenging. Here,…

The main features of quantum computing are described in the framework of spin resonance methods. Stress is put on the fact that quantum computing is in itself nothing but a re-interpretation (fruitful indeed) of well-known concepts. The…

Quantum Physics · Physics 2009-10-31 Valerio Scarani
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