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A new concept of the molecular structure optimization method based on quantum dynamics computations is presented. Nuclei are treated as quantum mechanical particles, as are electrons, and the many-body wave function of the system is…

Quantum mechanics---the theory describing the fundamental workings of nature---is famously counterintuitive: it predicts that a particle can be in two places at the same time, and that two remote particles can be inextricably and…

Quantum computers have recently become available as noisy intermediate-scale quantum devices. Already these machines yield a useful environment for research on quantum systems and dynamics. Building on this opportunity, we investigate…

Quantum Physics · Physics 2024-01-30 Marcel Cech , Igor Lesanovsky , Federico Carollo

Reinforcement Learning enables to train an agent via interaction with the environment. However, in the majority of real-world scenarios, the extrinsic feedback is sparse or not sufficient, thus intrinsic reward formulations are needed to…

Machine Learning · Computer Science 2022-06-07 Patrik Reizinger , Márton Szemenyei

The optimal control of open quantum systems is a challenging task but has a key role in improving existing quantum information processing technologies. We introduce a general framework based on Reinforcement Learning to discover optimal…

Quantum Physics · Physics 2022-01-19 Paolo Andrea Erdman , Frank Noé

In machine learning, fewer features reduce model complexity. Carefully assessing the influence of each input feature on the model quality is therefore a crucial preprocessing step. We propose a novel feature selection algorithm based on a…

Quantum Physics · Physics 2023-02-22 Sascha Mücke , Raoul Heese , Sabine Müller , Moritz Wolter , Nico Piatkowski

Direct experimental access to some of the most intriguing quantum phenomena is not granted due to the lack of precise control of the relevant parameters in their naturally intricate environment. Their simulation on conventional computers is…

Quantum Physics · Physics 2011-06-15 Christian Schneider , Diego Porras , Tobias Schaetz

Fuelled by increasing computer power and algorithmic advances, machine learning techniques have become powerful tools for finding patterns in data. Since quantum systems produce counter-intuitive patterns believed not to be efficiently…

Quantum Physics · Physics 2018-05-14 Jacob Biamonte , Peter Wittek , Nicola Pancotti , Patrick Rebentrost , Nathan Wiebe , Seth Lloyd

In certain classes of physical quantum systems, the exponentially large state space "fragments" into many low-dimensional, dynamically disconnected subspaces. We introduce a learning problem known as fragment classification, where given a…

Quantum Physics · Physics 2026-05-08 Mikhail Mints , Eric R. Anschuetz

Feature selection plays an essential role in improving the predictive performance and interpretability of trained models in classical machine learning. On the other hand, the usability of conventional feature selection could be limited for…

Quantum Physics · Physics 2024-04-30 Yudai Suzuki , Rei Sakuma , Hideaki Kawaguchi

Preparing the ground state of a system of interacting classical particles is an NP-hard problem. Thus, there is in general no better algorithm to solve this problem than exhaustively going through all N configurations of the system to…

Quantum Physics · Physics 2010-04-22 David Poulin , Pawel Wocjan

Quantum theory has found a new field of applications in the realm of information and computation during the recent years. This paper reviews how quantum physics allows information coding in classically unexpected and subtle nonlocal ways,…

Quantum Physics · Physics 2008-11-26 A. Galindo , M. A. Martin-Delgado

Quantum computers are appealing for their ability to solve some tasks much faster than their classical counterparts. It was shown in [Aspuru-Guzik et al., Science 309, 1704 (2005)] that they, if available, would be able to perform the full…

Quantum Physics · Physics 2010-11-19 Libor Veis , Jiří Pittner

Recent theoretical results confirm that quantum theory provides the possibility of new ways of performing efficient calculations. The most striking example is the factoring problem. It has recently been shown that computers that exploit…

Quantum Physics · Physics 2008-11-26 Adriano Barenco

Hamiltonian simulation is a promising application for quantum computers to achieve a quantum advantage. We present classical algorithms based on tensor network methods to optimize quantum circuits for this task. We show that, compared to…

Quantum Physics · Physics 2023-06-05 Conor Mc Keever , Michael Lubasch

Quantum computation appears to offer significant advantages over classical computation and this has generated a tremendous interest in the field. In this thesis we consider the application of quantum computers to scientific computing and…

Quantum Physics · Physics 2018-05-10 Stuart Hadfield

Quantum computers promise improving machine learning. We investigated the performance of new quantum neural network designs. Quantum neural networks currently employed rely on a feature map to encode the input into a quantum state. This…

Quantum Physics · Physics 2022-03-16 Felix Petitzon

Quantum information science and technology is a rapidly growing interdisciplinary field drawing researchers from science and engineering fields. Traditional instruction in quantum mechanics is insufficient to prepare students for research…

Physics Education · Physics 2016-02-23 Chandralekha Singh

We propose a novel quantum model for the restricted Boltzmann machine (RBM), in which the visible units remain classical whereas the hidden units are quantized as noninteracting fermions. The free motion of the fermions is parametrically…

Disordered Systems and Neural Networks · Physics 2021-02-15 Ya. S. Lyakhova , E. A. Polyakov , A. N. Rubtsov

In this article we demonstrate the applications of classical and quantum machine learning in quantum transport and spintronics. With the help of a two-terminal device with magnetic impurity we show how machine learning algorithms can…

Mesoscale and Nanoscale Physics · Physics 2023-03-28 Kumar Ghosh , Sumit Ghosh