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Optimization of problems with high computational power demands is a challenging task. A probabilistic approach to such optimization called Bayesian optimization lowers performance demands by solving mathematically simpler model of the…

Machine Learning · Computer Science 2021-01-27 Jakub Klus , Pavel Grunt , Martin Dobrovolný

We apply quantum optimal control to shape the phase-space distribution of Bose-Einstein condensates in a one-dimensional optical lattice. By a time-dependent modulation of the lattice position, determined from optimal control theory, we…

Quantum Gases · Physics 2023-02-01 N. Dupont , F. Arrouas , L. Gabardos , N. Ombredane , J. Billy , B. Peaudecerf , D. Sugny , D. Guéry-Odelin

We consider measurement-based quantum computation using the state of a spin-lattice system in equilibrium with a thermal bath and free to evolve under its own Hamiltonian. Any single qubit measurements disturb the system from equilibrium…

Quantum Physics · Physics 2009-09-23 David Jennings , Andrzej Dragan , Sean D. Barrett , Stephen D. Bartlett , Terry Rudolph

Engineering design processes involve iterative design evaluations requiring numerous computationally intensive numerical simulations. Quantum algorithms promise substantial speedups for specific tasks relevant to engineering simulations.…

Quantum Physics · Physics 2026-03-26 Leonhard Hölscher , Lukas Müller , Or Samimi , Tamuz Danzig

A nonparametric Bayesian approach is developed to determine quantum potentials from empirical data for quantum systems at finite temperature. The approach combines the likelihood model of quantum mechanics with a priori information over…

Statistical Mechanics · Physics 2009-10-31 J. C. Lemm , J. Uhlig , A. Weiguny

We consider chance constrained optimization where it is sought to optimize a function while complying with constraints, both of which are affected by uncertainties. The high computational cost of realistic simulations strongly limits the…

Optimization and Control · Mathematics 2022-04-18 Julien Pelamatti , Rodolphe Le Riche , Céline Helbert , Christophette Blanchet-Scalliet

Quantum mechanical problems are among the hardest to simulate and, in some cases, remain intractable even for the most powerful computers. Quantum computing has emerged as a new technological platform to address such challenges, with rapid…

Quantum Physics · Physics 2025-09-01 Alexander Miessen

Quantum simulations of molecular systems on quantum computers often employ minimal basis sets of Gaussian orbitals. In comparison with more realistic basis sets, quantum simulations employing minimal basis sets require fewer qubits and…

Quantum Physics · Physics 2022-08-17 Stefano Barison , Davide Emilio Galli , Mario Motta

A Bayesian filtering algorithm is developed for a class of state-space systems that can be modelled via Gaussian mixtures. In general, the exact solution to this filtering problem involves an exponential growth in the number of mixture…

Machine Learning · Statistics 2023-07-03 Adrian G. Wills , Johannes Hendriks , Christopher Renton , Brett Ninness

Bose-Einstein condensation (BEC) is a powerful tool for a wide range of research activities, a large fraction of which are related to quantum simulations. Various problems may benefit from different atomic species, but cooling down novel…

Atomic and Molecular Clusters · Physics 2020-07-22 E. T. Davletov , V. V. Tsyganok , V. A. Khlebnikov , D. A. Pershin , D. V. Shaykin , A. V. Akimov

Bayesian optimization (BO) is a powerful technology for optimizing noisy expensive-to-evaluate black-box functions, with a broad range of real-world applications in science, engineering, economics, manufacturing, and beyond. In this paper,…

Machine Learning · Computer Science 2024-01-30 Joel A. Paulson , Calvin Tsay

This paper focuses on Bayesian Optimization in combinatorial spaces. In many applications in the natural science. Broad applications include the study of molecules, proteins, DNA, device structures and quantum circuit designs, a on…

Machine Learning · Computer Science 2020-11-13 Tony C. Wu , Daniel Flam-Shepherd , Alán Aspuru-Guzik

We address a broad class of optimization problems of finding quantum measurements, which includes the problems of finding an optimal measurement in the Bayes criterion and a measurement maximizing the average success probability with a…

Quantum Physics · Physics 2015-06-23 Kenji Nakahira , Kentaro Kato , Tsuyoshi Sasaki Usuda

The achievement of Bose-Einstein condensation (BEC) in ultracold vapors of alkali atoms has given enormous impulse to the theoretical and experimental study of dilute atomic gases in condensed quantum states inside magnetic traps and…

Mathematical Physics · Physics 2017-11-21 Weizhu Bao

Bayesian optimization (BO) based on Gaussian process regression (GPR) is applied to different CFD (computational fluid dynamics) problems which can be of practical relevance. The problems are i) shape optimization in a lid-driven cavity to…

Fluid Dynamics · Physics 2021-11-15 Y. Morita , S. Rezaeiravesh , N. Tabatabaei , R. Vinuesa , K. Fukagata , P. Schlatter

Simulating computationally intractable many-body problems on a quantum simulator holds great potential to deliver insights into physical, chemical, and biological systems. While the implementation of Hamiltonian dynamics within a quantum…

Quantum Physics · Physics 2020-03-27 Meghana Raghunandan , Fabian Wolf , Christian Ospelkaus , Piet O. Schmidt , Hendrik Weimer

We show theoretically the existence of a metastable state and the possibility of decay to the ground state through macroscopic quantum tunneling in two-component Bose-Einstein condensates with repulsive interactions. Numerical analysis of…

Condensed Matter · Physics 2009-11-07 Kenichi Kasamatsu , Yukinori Yasui , Makoto Tsubota

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

A two-step optimization is proposed to represent an arbitrary quantum state to a desired accuracy with the least number of gaussians in phase space. The Husimi distribution of the quantum state provides the information to determine the…

Atomic and Molecular Clusters · Physics 2009-11-10 Anatole Kenfack , Jan M Rost , Alfredo M Ozorio de Almeida

Gaussian Process (GP) emulators are widely used to approximate complex computer model behaviour across the input space. Motivated by the problem of coupling computer models, recently progress has been made in the theory of the analysis of…

Applications · Statistics 2022-04-20 Victoria Volodina , Nikki Sonenberg , Peter Challenor , Jim Q. Smith
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