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A local optimization method based on Bayesian Gaussian Processes is developed and applied to atomic structures. The method is applied to a variety of systems including molecules, clusters, bulk materials, and molecules at surfaces. The…

Computational Physics · Physics 2019-09-11 Estefanía Garijo del Río , Jens Jørgen Mortensen , Karsten W. Jacobsen

Given a certain amount of entanglement available as a resource, what is the most efficient way to accomplish a quantum task? We address this question in the relevant case of continuous variable quantum teleportation protocols implemented…

Quantum Physics · Physics 2017-11-29 Pietro Liuzzo-Scorpo , Andrea Mari , Vittorio Giovannetti , Gerardo Adesso

Preparation of non-trivial quantum states without introducing unwanted excitations or decoherence remains a central challenge in utilizing ultracold atomic systems for quantum simulation. We employ optimal control methods to realize fast,…

High-precision measurements require optimal setups and analysis tools to achieve continuous improvements. Systematic corrections need to be modeled with high accuracy and known uncertainty to reconstruct underlying physical phenomena. To…

Data Analysis, Statistics and Probability · Physics 2022-05-31 Max Lamparth , Mattis Bestehorn , Bastian Märkisch

Numerical stochastic integration is a powerful tool for the investigation of quantum dynamics in interacting many body systems. As with all numerical integration of differential equations, the initial conditions of the system being…

Quantum Gases · Physics 2015-05-13 M. K. Olsen , A. S. Bradley

Bayesian optimization is proposed for automatic learning of optimal controller parameters from experimental data. A probabilistic description (a Gaussian process) is used to model the unknown function from controller parameters to a…

Systems and Control · Computer Science 2019-01-24 Matthias Neumann-Brosig , Alonso Marco , Dieter Schwarzmann , Sebastian Trimpe

The process of calibrating computer models of natural phenomena is essential for applications in the physical sciences, where plenty of domain knowledge can be embedded into simulations and then calibrated against real observations. Current…

Machine Learning · Computer Science 2025-01-20 Rafael Oliveira , Dino Sejdinovic , David Howard , Edwin V. Bonilla

We provide a method to solve optimization problem when objective function is a complex stochastic simulator of an urban transportation system. To reach this goal, a Bayesian optimization framework is introduced. We show how the choice of…

Computation · Statistics 2019-01-15 Laura Schultz , Vadim Sokolov

Both experimental and computational methods for the exploration of structure, functionality, and properties of materials often necessitate the search across broad parameter spaces to discover optimal experimental conditions and regions of…

Computational Physics · Physics 2021-08-31 Maxim Ziatdinov , Ayana Ghosh , Sergei V. Kalinin

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

In continuous-variable systems, non-Gaussian resources are essential for achieving universal quantum computation that lies beyond classical simulation. Among the candidate states, the cubic phase state stands out as the simplest form of…

Quantum Physics · Physics 2025-09-22 Boxuan Jing , Feng-Xiao Sun , Qiongyi He

Many-mode interacting Bose gases (1D,2D,3D) are simulated from first principles. The model uses a second-quantized Hamiltonian with two-particle interactions (possibly ranged), external potential, and interactions with an environment, with…

Other Condensed Matter · Physics 2009-09-29 Piotr Deuar

We propose a machine learning framework for parameter estimation of single mode Gaussian quantum states. Under a Bayesian framework, our approach estimates parameters of suitable prior distributions from measured data. For phase-space…

Quantum Physics · Physics 2021-08-16 Neel Kanth Kundu , Matthew R. McKay , Ranjan K. Mallik

Machine learning is emerging as a technology that can enhance physics experiment execution and data analysis. Here, we apply machine learning to accelerate the production of a Bose-Einstein condensate (BEC) of $^{87}\mathrm{Rb}$ atoms by…

The power system of the future will be governed by complex interactions and non-linear phenomena at small time-scales, that should be studied more and more through computationally expensive software simulations. To solve the abovementioned…

Systems and Control · Electrical Eng. & Systems 2025-02-26 Marius Kuhn , Evelyn Heylen , Willem Leterme

The identification of prospective scenarios for observing quantum vacuum signals in high-intensity laser experiments requires both accurate theoretical predictions and the exploration of high-dimensional parameter spaces. Numerical…

High Energy Physics - Phenomenology · Physics 2025-01-14 Maksim Valialshchikov , Felix Karbstein , Daniel Seipt , Matt Zepf

Particle-in-cell simulations are among the most essential tools for the modeling and optimization of laser-plasma accelerators, since they reproduce the physics from first principles. However, the high computational cost associated with…

High-dimensional optimization is a critical challenge for operating large-scale scientific facilities. We apply a physics-informed Gaussian process (GP) optimizer to tune a complex system by conducting efficient global search. Typical GP…

Computational Physics · Physics 2021-07-14 Adi Hanuka , X. Huang , J. Shtalenkova , D. Kennedy , A. Edelen , V. R. Lalchand , D. Ratner , J. Duris

Bayesian optimization has emerged as a highly effective tool for the safe online optimization of systems, due to its high sample efficiency and noise robustness. To further enhance its efficiency, reduced physical models of the system can…

Machine Learning · Computer Science 2024-06-18 Jannis O. Lübsen , Christian Hespe , Annika Eichler

We use neural networks to represent the characteristic function of many-body Gaussian states in the quantum phase space. By a pullback mechanism, we model transformations due to unitary operators as linear layers that can be cascaded to…

Quantum Physics · Physics 2021-10-19 Claudio Conti