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Simulation of materials at the atomistic level is an important tool in studying microscopic structure and processes. The atomic interactions necessary for the simulation are correctly described by Quantum Mechanics. However, the…

Materials Science · Physics 2015-03-13 Albert P. Bartók

Bayesian optimization is a methodology to optimize black-box functions. Traditionally, it focuses on the setting where you can arbitrarily query the search space. However, many real-life problems do not offer this flexibility; in…

In this work, we study Bayesian quantum parameter estimation given a finite number of uses of the process encoding one or more unknown physical quantities. For multiple uses, it is conventional to classify quantum metrological protocols as…

Quantum Physics · Physics 2026-02-11 Erik L. André , Jessica Bavaresco , Mohammad Mehboudi

This paper proposes a new class of real-time optimization schemes to overcome system-model mismatch of uncertain processes. This work's novelty lies in integrating derivative-free optimization schemes and multi-fidelity Gaussian processes…

Machine Learning · Computer Science 2021-11-11 Panagiotis Petsagkourakis , Benoit Chachuat , Ehecatl Antonio del Rio-Chanona

Bayesian optimization is a sequential method for minimizing objective functions that are expensive to evaluate and about which few assumptions can be made. By using all gathered data to train a Gaussian process model for the function and…

Machine Learning · Computer Science 2026-05-07 Jesse Schneider , William J. Welch

In this paper, we estimate the errors of Gaussian transformations implemented using one-way quantum computations on cluster states of various configurations. From all possible cluster state configurations, we choose those that give the…

Quantum Physics · Physics 2020-06-24 S. B. Korolev , T. Yu. Golubeva , Yu. M. Golubev

Gaussian building blocks are essential for photonic quantum information processing, and universality can be practically achieved by equipping Gaussian circuits with adaptive measurement and feedforward. The number of adaptive steps then…

Quantum Physics · Physics 2026-02-17 Changhun Oh , Youngrong Lim

Binary optimization is a fundamental area in computational science, with wide-ranging applications from logistics to cryptography, where the tasks are often formulated as Quadratic or Polynomial Unconstrained Binary Optimization problems…

Quantum Physics · Physics 2024-12-20 Jean Cazalis , Tirth Shah , Yahui Chai , Karl Jansen , Stefan Kühn

Quantum algorithms are promising candidates for the enhancement of computational efficiency for a variety of computational tasks, allowing for the numerical study of physical systems intractable to classical computers. In the Noisy…

Quantum Physics · Physics 2021-05-13 Marco Majland , Nikolaj Thomas Zinner

Disposing of simple and efficient sources for photonic states with non-classical photon statistics is of paramount importance for implementing quantum computation and communication protocols. In this work, we propose an innovative approach…

Quantum Physics · Physics 2023-05-03 M. F. Melalkia , J. Huynh , S. Tanzilli , V. D'Auria , J. Etesse

We propose a practical Bayesian optimization method using Gaussian process regression, of which the marginal likelihood is maximized where the number of model selection steps is guided by a pre-defined threshold. Since Bayesian optimization…

Machine Learning · Statistics 2020-10-19 Jungtaek Kim , Seungjin Choi

Physical simulation-based optimization is a common task in science and engineering. Many such simulations produce image- or tensor-based outputs where the desired objective is a function of those outputs, and optimization is performed over…

Machine Learning · Computer Science 2021-12-01 Wesley Maddox , Qing Feng , Max Balandat

Resource theories can be used to formalize the quantification and manipulation of resources in quantum information processing such as entanglement, asymmetry and coherence of quantum states, and incompatibility of quantum measurements.…

Quantum Physics · Physics 2019-04-05 Roope Uola , Tristan Kraft , Jiangwei Shang , Xiao-Dong Yu , Otfried Gühne

This paper provides a stabilizing preparation method for quantum Gaussian states by utilizing continuous measurement. The stochastic evolution of the open quantum system is described in terms of the quantum stochastic master equation. We…

Quantum Physics · Physics 2021-09-28 Liying Bao , Bo Qi , Daoyi Dong

The optimization of atomic structures plays a pivotal role in understanding and designing materials with desired properties. However, conventional computational methods often struggle with the formidable task of navigating the vast…

Materials Science · Physics 2024-11-19 Peder Lyngby , Casper Larsen , Karsten Wedel Jacobsen

Gaussian processes allow for flexible specification of prior assumptions of unknown dynamics in state space models. We present a procedure for efficient Bayesian learning in Gaussian process state space models, where the representation is…

Computation · Statistics 2016-04-18 Andreas Svensson , Arno Solin , Simo Särkkä , Thomas B. Schön

A common requirement of quantum simulations and algorithms is the preparation of complex states through sequences of 2-qubit gates. For a generic quantum state, the number of gates grows exponentially with the number of qubits, becoming…

Quantum Physics · Physics 2024-07-08 Matan Ben Dov , David Shnaiderov , Adi Makmal , Emanuele G. Dalla Torre

Building surrogate models is one common approach when we attempt to learn unknown black-box functions. Bayesian optimization provides a framework which allows us to build surrogate models based on sequential samples drawn from the function…

Machine Learning · Computer Science 2021-09-17 Hengrui Luo , James W. Demmel , Younghyun Cho , Xiaoye S. Li , Yang Liu

Quantum fidelity estimation is essential for benchmarking quantum states and processes on noisy quantum devices. While stabilizer operations form the foundation of fault-tolerant quantum computing, non-stabilizer resources further enable…

Quantum Physics · Physics 2025-06-17 Zhiping Liu , Kun Wang , Xin Wang

It is well known in quantum optics that any process involving the preparation of a multimode gaussian state, followed by a gaussian operation and gaussian measurements, can be efficiently simulated by classical computers. Here, we provide…

Quantum Physics · Physics 2025-08-22 Michael G. Jabbour , Leonardo Novo