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Bayesian optimization for state engineering of quantum gases

Gabriel Müller, V. J. Martínez-Lahuerta, Ivan Sekulic, Sven Burger, Philipp-Immanuel Schneider, Naceur Gaaloul

Published Jan 1, 2025• 0 citations
Publisher

Abstract

State engineering of quantum objects is a central requirement for precision sensing and quantum computing implementations. When the quantum dynamics can be described by analytical solutions or simple approximation models, optimal state preparation protocols have been theoretically proposed and experimentally realized. For more complex systems such as interacting quantum gases, simplifying assumptions do not apply anymore and the optimization techniques become computationally impractical. Here, we propose Bayesian optimization based on multi-output Gaussian processes to learn the physical properties of a Bose-Einstein condensate within few simulations only. We evaluate its performance on an optimization study case of diabatically transporting the quantum gas while keeping it in its ground state. Within a few hundred executions, we reach a competitive performance to other protocols. While restricting this benchmark to the well known Thomas-Fermi approximation for straightforward comparisons, we expect a similar performance when employing more complex theoretical models, which would be computationally more challenging, rendering standard optimal control theory protocols impractical. This paves the way for efficient state engineering of complex quantum systems including mixtures of interacting gases or cold molecules.

DOI
10.15488/22803

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State engineering of quantum objects is a central requirement for precision sensing and quantum computing implementations. When the quantum dynamics can be described by analytical solutions or simple approximation models, optimal state preparation protocols have been theoretically proposed and experimentally realized. For more complex systems such as interacting quantum gases, simplifying assumptions do not apply anymore and the optimization techniques become computationally impractical. Here, we propose Bayesian optimization based on multi-output Gaussian processes to learn the physical properties of a Bose-Einstein condensate within few simulations only. We evaluate its performance on an optimization study case of diabatically transporting the quantum gas while keeping it in its ground state. Within a few hundred executions, we reach a competitive performance to other protocols. While restricting this benchmark to the well known Thomas-Fermi approximation for straightforward comparisons, we expect a similar performance when employing more complex theoretical models, which would be computationally more challenging, rendering standard optimal control theory protocols impractical. This paves the way for efficient state engineering of complex quantum systems including mixtures of interacting gases or cold molecules.
Abstract State engineering of quantum objects is a central requirement for precision sensing and quantum computing implementations. When the quantum dynamics can be described by analytical solutions or simple approximation models, optimal state preparation protocols have been theoretically proposed and experimentally realized. For more complex systems such as interacting quantum gases, simplifying assumptions do not apply anymore and the optimization techniques become computationally impractical. Here, we propose Bayesian optimization based on multi-output Gaussian processes to learn the physical properties of a Bose–Einstein condensate within few simulations only. We evaluate its performance on an optimization study case of diabatically transporting the quantum gas while keeping it in its ground state. Within a few hundred executions, we reach a competitive performance to other protocols. While restricting this benchmark to the well known Thomas–Fermi approximation for straightforward comparisons, we expect a similar performance when employing more complex theoretical models, which would be computationally more challenging, rendering standard optimal control theory protocols impractical. This paves the way for efficient state engineering of complex quantum systems including mixtures of interacting gases or cold molecules.
New generations of ultracold-atom experiments are continually raising the demand for efficient solutions to optimal control problems. Here, we apply Bayesian optimization to improve a state-preparation protocol recently implemented in an ultracold-atom system to realize a two-particle fractional quantum Hall state. Compared to manual ramp design, we demonstrate the superior performance of our optimization approach in a numerical simulation – resulting in a protocol that is 10x faster at the same fidelity, even when taking into account experimentally realistic levels of disorder in the system. We extensively analyze and discuss questions of robustness and the relationship between numerical simulation and experimental realization, and how to make the best use of the surrogate model trained during optimization. We find that numerical simulation can be expected to substantially reduce the number of experiments that need to be performed with even the most basic transfer learning techniques. The proposed protocol and workflow will pave the way toward the realization of more complex many-body quantum states in experiments.
Ultra-cold atomic gases are unique in terms of the degree of controllability, both for internal and external degrees of freedom. This makes it possible to use them for the study of complex quantum many-body phenomena. However in many scenarios, the prerequisite condition of faithfully preparing a desired quantum state despite decoherence and system imperfections is not always adequately met. To pave the way to a specific target state, we implement quantum optimal control based on Bayesian optimization. The probabilistic modeling and broad exploration aspects of Bayesian optimization are particularly suitable for quantum experiments where data acquisition can be expensive. Using numerical simulations for the superfluid to Mott-insulator transition for bosons in a lattice as well as for the formation of Rydberg crystals as explicit examples, we demonstrate that Bayesian optimization is capable of finding better control solutions with regards to finite and noisy data compared to existing methods of optimal control.
Machine Learning methods are emerging as faster and efficient alternatives to numerical simulation techniques. The field of Scientific Computing has started adopting these data-driven approaches to faithfully model physical phenomena using scattered, noisy observations from coarse-grained grid-based simulations. In this paper, we investigate data-driven modelling of Bose-Einstein Condensates (BECs). In particular, we use Gaussian Processes (GPs) to model the ground state wave function of BECs as a function of scattering parameters from the dimensionless Gross Pitaveskii Equation (GPE). Experimental results illustrate the ability of GPs to accurately reproduce ground state wave functions using a limited number of data points from simulations. Consistent performance across different configurations of BECs, namely Scalar and Vectorial BECs generated under different potentials, including harmonic, double well and optical lattice potentials pronounces the versatility of our method. Comparison with existing data-driven models indicates that our model achieves similar accuracy with only a small fraction ([Formula: see text]th) of data points used by existing methods, in addition to modelling uncertainty from data. When used as a simulator post-training, our model generates ground state wave functions [Formula: see text] faster than Trotter Suzuki, a numerical approximation technique that uses Imaginary time evolution. Our method is quite general; with minor changes it can be applied to similar quantum many-body problems.
Abstract Ultra-cold atomic gases are unique in terms of the degree of controllability, both for internal and external degrees of freedom. This makes it possible to use them for the study of complex quantum many-body phenomena. However in many scenarios, the prerequisite condition of faithfully preparing a desired quantum state despite decoherence and system imperfections is not always adequately met. To pave the way to a specific target state, we implement quantum optimal control based on Bayesian optimization. The probabilistic modeling and broad exploration aspects of Bayesian optimization are particularly suitable for quantum experiments where data acquisition can be expensive. Using numerical simulations for the superfluid to Mott-insulator transition for bosons in a lattice as well as for the formation of Rydberg crystals as explicit examples, we demonstrate that Bayesian optimization is capable of finding better control solutions with regards to finite and noisy data compared to existing methods of optimal control.
The preparation of quantum states is crucial for enabling quantum computations and simulations. In this work, we present a general framework for preparing ground states of many-body systems by combining the measurement-feedback control process (MFCP) with machine learning techniques. Specifically, we employ Bayesian optimization (BO) to enhance the efficiency of determining the measurement and feedback operators within the MFCP. As an illustration, we study the ground state preparation of the one-dimensional Bose–Hubbard model. Through BO, we are able to identify optimal parameters that can effectively drive the system towards low-energy states with a high probability across various quantum trajectories. Our results open up new directions for further exploration and development of advanced control strategies for quantum computations and simulations.