Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

arXiv:1505.05331 · EPJ Quantum Technology

Hybrid optimization schemes for quantum control

Michael H. Goerz, K. Birgitta Whaley, Christiane P. Koch

Published Sep 17, 2015• 40 citations
arXivHTMLPDF

Abstract

Optimal control theory is a powerful tool for solving control problems in quantum mechanics, ranging from the control of chemical reactions to the implementation of gates in a quantum computer. Gradient-based optimization methods are able to find high fidelity controls, but require considerable numerical effort and often yield highly complex solutions. We propose here to employ a two-stage optimization scheme to significantly speed up convergence and achieve simpler controls. The control is initially parametrized using only a few free parameters, such that optimization in this pruned search space can be performed with a simplex method. The result, considered now simply as an arbitrary function on a time grid, is the starting point for further optimization with a gradient-based method that can quickly converge to high fidelities. We illustrate the success of this hybrid technique by optimizing a geometric phase gate for two superconducting transmon qubits coupled with a shared transmission line resonator, showing that a combination of Nelder-Mead simplex and Krotov’s method yields considerably better results than either one of the two methods alone.

DOI
10.1140/epjqt/s40507-015-0034-0

Related papers

Optimal control with accelerated convergence: Combining the Krotov and quasi-Newton methods

Reuven Eitan, Michael D. Mundt, David J. Tannor

One of the most popular methods for solving numerical optimal control problems is the Krotov method, adapted for quantum control by Tannor and coworkers. The Krotov method has the following three appealing properties: (1) monotonic increase of the objective with iteration number, (2) no requirement for a line search, leading to a significant savings over gradient (first-order) methods, and (3) macrosteps at each iteration, resulting in significantly faster growth of the objective at early iterations than in gradient methods where small steps are required. The principal drawback of the Krotov method is slow convergence at later iterations, which is particularly problematic when high fidelity is desired. We show here that, near convergence, the Krotov method degenerates to a first-order gradient method. We then present a variation on the Krotov method that has all the advantages of the original Krotov method but with significantly enhanced convergence (second-order or quasi-Newton) as the optimal solution is approached. We illustrate the method by controlling the three-dimensional dynamics of the valence electron in the Na atom.

Physical Review A•May 24, 2011•106 citations

Quantum Optimal Control via Semi-Automatic Differentiation

Michael H. Goerz, Sebastian Camilo Carrasco, Vladimir S. Malinovsky

We develop a framework of "semi-automatic differentiation" that combines existing gradient-based methods of quantum optimal control with automatic differentiation. The approach allows to optimize practically any computable functional and is implemented in two open source Julia packages, GRAPE.jl and Krotov.jl , part of the QuantumControl.jl framework. Our method is based on formally rewriting the optimization functional in terms of propagated states, overlaps with target states, or quantum gates. An analytical application of the chain rule then allows to separate the time propagation and the evaluation of the functional when calculating the gradient. The former can be evaluated with great efficiency via a modified GRAPE scheme. The latter is evaluated with automatic differentiation, but with a profoundly reduced complexity compared to the time propagation. Thus, our approach eliminates the prohibitive memory and runtime overhead normally associated with automatic differentiation and facilitates further advancement in quantum control by enabling the direct optimization of non-analytic functionals for quantum information and quantum metrology, especially in open quantum systems. We illustrate and benchmark the use of semi-automatic differentiation for the optimization of perfectly entangling quantum gates on superconducting qubits coupled via a shared transmission line. This includes the first direct optimization of the non-analytic gate concurrence.

arXiv:2205.15044•Quantum•Dec 7, 2022•33 citations

Nonadiabatic geometric quantum computation with optimal control on superconducting circuits

Jing Mang Xu, Sai Li, Tao Chen +1 more

Quantum gates, which are the essential building blocks of quantum computers, are very fragile. Thus, to realize robust quantum gates with high fidelity is the ultimate goal of quantum manipulation. Here, we propose a nonadiabatic geometric quantum computation scheme on superconducting circuits to engineer arbitrary quantum gates, which share both the robust merit of geometric phases and the capacity to combine with optimal control technique to further enhance the gate robustness. Specifically, in our proposal, arbitrary geometric single-qubit gates can be realized on a transmon qubit, by a resonant microwave field driving, with both the amplitude and phase of the driving being time-dependent. Meanwhile, nontrivial two-qubit geometric gates can be implemented by two capacitively coupled transmon qubits, with one of the transmon qubits’ frequency being modulated to obtain effective resonant coupling between them. Therefore, our scheme provides a promising step towards fault-tolerant solid-state quantum computation.

arXiv:2004.10199•Frontiers of Physics•Jul 11, 2020•27 citations

Computational techniques for optimal control of quantum systems

Evangelos A. Coutsias, G. von Winckel

The control of matter and energy at a fundamental level will be a cornerstone of new technologies for years to come. This idea is exemplified in a distilled form by controlling the dynamics of quantum mechanical systems via a time-dependent potential. The contributions detailed within this work focus on the computational aspects of formulating and solving quantum control problems efficiently. The accurate numerical computation of optimal controls of infinite dimensional quantum control problems is a very difficult task that requires to take into account the features of the original infinite dimensional problem. An important issue is the choice of the functional space where the minimization process is defined. A systematic comparison of L2 versus H1 based minimization shows that the choice of the appropriate functional space matters and has many consequences in the implementation of some optimization techniques. A matrix-free cascadic BFGS algorithm is introduced in the L 2 and H1 settings and it is demonstrated that the choice of H1 over L2 results in a substantial performance and robustness increase. A comparison between optimal control resulting from function space minimization and the control obtained by minimization over Chebyshev and POD basis function coefficients is presented. A theoretical and computational framework is presented to obtain accurate controls for fast quantum state transitions that are needed in a host of applications such as nano electronic devices and quantum computing. This method is based on a reduced Hessian Krylov-Newton scheme applied to a norm-preserving discrete model of a dipole quantum control problem. The use of second-order numerical methods for solving the control problem is justified proving existence of optimal solutions and analyzing first- and second-order optimality conditions. Criteria for the discretization of the non-convex optimization problem and for the formulation of the Hessian are given to ensure accurate gradients and a symmetric Hessian. Robustness of the Newton approach is obtained using a globalization strategy with a robust linesearch procedure. Results of numerical experiments demonstrate that the Newton approach presented in this dissertation is able to provide fast and accurate controls for high-energy state transitions. Control of bound-to-bound and bound-to-continuum transitions in open quantum systems and vector field control of two-dimensional systems is presented. An efficient space-time spectral discretization of the time-dependent Schrodinger equation and preconditioning strategy for a fast approximate solution with Krylov methods is outlined.

•Jan 1, 2011•0 citations

Krotov: A Python implementation of Krotov's method for quantum optimal control

Michael H. Goerz, Daniel Basilewitsch, Fernando Gago-Encinas +4 more

We present a new open-source Python package, krotov, implementing the quantum optimal control method of that name. It allows to determine time-dependent external fields for a wide range of quantum control problems, including state-to-state transfer, quantum gate implementation and optimization towards an arbitrary perfect entangler. Krotov's method compares to other gradient-based optimization methods such as gradient-ascent and guarantees monotonic convergence for approximately time-continuous control fields. The user-friendly interface allows for combination with other Python packages, and thus high-level customization.

arXiv:1902.11284•SciPost Physics•Dec 12, 2019•127 citations

Optimal control of quantum gates and suppression of decoherence in a system of interacting two-level particles

Grace, M, Brif, C, Robert L. Kosut +3 more

Methods of optimal control are applied to a model system of interacting two-level particles (e.g., spin-half atomic nuclei or electrons or two-level atoms) to produce high-fidelity quantum gates while simultaneously negating the detrimental effect of decoherence. One set of particles functions as the quantum information processor, whose evolution is controlled by a time-dependent external field. The other particles are not directly controlled and serve as an effective environment, coupling to which is the source of decoherence. The control objective is to generate target one- and two-qubit unitary gates in the presence of strong environmentally-induced decoherence and under physically motivated restrictions on the control field. The quantum-gate fidelity, expressed in terms of a novel state-independent distance measure, is maximized with respect to the control field using combined genetic and gradient algorithms. The resulting high-fidelity gates demonstrate the feasibility of precisely guiding the quantum evolution via the optimal control, even when the system complexity is exacerbated by environmental coupling. It is found that the gate duration has an important effect on the control mechanism and resulting fidelity. An analysis of the sensitivity of the gate performance to random variations in the system parameters reveals a significant degree of robustness attained by the optimal control solutions.

•Feb 14, 2007•62 citations
Optimal control theory is a powerful tool for solving control problems in quantum mechanics, ranging from the control of chemical reactions to the implementation of gates in a quantum computer. Gradient-based optimization methods are able to find high fidelity controls, but require considerable numerical effort and often yield highly complex solutions. We propose here to employ a two-stage optimization scheme to significantly speed up convergence and achieve simpler controls. The control is initially parametrized using only a few free parameters, such that optimization in this pruned search space can be performed with a simplex method. The result, considered now simply as an arbitrary function on a time grid, is the starting point for further optimization with a gradient-based method that can quickly converge to high fidelities. We illustrate the success of this hybrid technique by optimizing a geometric phase gate for two superconducting transmon qubits coupled with a shared transmission line resonator, showing that a combination of Nelder-Mead simplex and Krotov’s method yields considerably better results than either one of the two methods alone.
One of the most popular methods for solving numerical optimal control problems is the Krotov method, adapted for quantum control by Tannor and coworkers. The Krotov method has the following three appealing properties: (1) monotonic increase of the objective with iteration number, (2) no requirement for a line search, leading to a significant savings over gradient (first-order) methods, and (3) macrosteps at each iteration, resulting in significantly faster growth of the objective at early iterations than in gradient methods where small steps are required. The principal drawback of the Krotov method is slow convergence at later iterations, which is particularly problematic when high fidelity is desired. We show here that, near convergence, the Krotov method degenerates to a first-order gradient method. We then present a variation on the Krotov method that has all the advantages of the original Krotov method but with significantly enhanced convergence (second-order or quasi-Newton) as the optimal solution is approached. We illustrate the method by controlling the three-dimensional dynamics of the valence electron in the Na atom.
We develop a framework of "semi-automatic differentiation" that combines existing gradient-based methods of quantum optimal control with automatic differentiation. The approach allows to optimize practically any computable functional and is implemented in two open source Julia packages, GRAPE.jl and Krotov.jl , part of the QuantumControl.jl framework. Our method is based on formally rewriting the optimization functional in terms of propagated states, overlaps with target states, or quantum gates. An analytical application of the chain rule then allows to separate the time propagation and the evaluation of the functional when calculating the gradient. The former can be evaluated with great efficiency via a modified GRAPE scheme. The latter is evaluated with automatic differentiation, but with a profoundly reduced complexity compared to the time propagation. Thus, our approach eliminates the prohibitive memory and runtime overhead normally associated with automatic differentiation and facilitates further advancement in quantum control by enabling the direct optimization of non-analytic functionals for quantum information and quantum metrology, especially in open quantum systems. We illustrate and benchmark the use of semi-automatic differentiation for the optimization of perfectly entangling quantum gates on superconducting qubits coupled via a shared transmission line. This includes the first direct optimization of the non-analytic gate concurrence.
Quantum gates, which are the essential building blocks of quantum computers, are very fragile. Thus, to realize robust quantum gates with high fidelity is the ultimate goal of quantum manipulation. Here, we propose a nonadiabatic geometric quantum computation scheme on superconducting circuits to engineer arbitrary quantum gates, which share both the robust merit of geometric phases and the capacity to combine with optimal control technique to further enhance the gate robustness. Specifically, in our proposal, arbitrary geometric single-qubit gates can be realized on a transmon qubit, by a resonant microwave field driving, with both the amplitude and phase of the driving being time-dependent. Meanwhile, nontrivial two-qubit geometric gates can be implemented by two capacitively coupled transmon qubits, with one of the transmon qubits’ frequency being modulated to obtain effective resonant coupling between them. Therefore, our scheme provides a promising step towards fault-tolerant solid-state quantum computation.
The control of matter and energy at a fundamental level will be a cornerstone of new technologies for years to come. This idea is exemplified in a distilled form by controlling the dynamics of quantum mechanical systems via a time-dependent potential. The contributions detailed within this work focus on the computational aspects of formulating and solving quantum control problems efficiently. The accurate numerical computation of optimal controls of infinite dimensional quantum control problems is a very difficult task that requires to take into account the features of the original infinite dimensional problem. An important issue is the choice of the functional space where the minimization process is defined. A systematic comparison of L2 versus H1 based minimization shows that the choice of the appropriate functional space matters and has many consequences in the implementation of some optimization techniques. A matrix-free cascadic BFGS algorithm is introduced in the L 2 and H1 settings and it is demonstrated that the choice of H1 over L2 results in a substantial performance and robustness increase. A comparison between optimal control resulting from function space minimization and the control obtained by minimization over Chebyshev and POD basis function coefficients is presented. A theoretical and computational framework is presented to obtain accurate controls for fast quantum state transitions that are needed in a host of applications such as nano electronic devices and quantum computing. This method is based on a reduced Hessian Krylov-Newton scheme applied to a norm-preserving discrete model of a dipole quantum control problem. The use of second-order numerical methods for solving the control problem is justified proving existence of optimal solutions and analyzing first- and second-order optimality conditions. Criteria for the discretization of the non-convex optimization problem and for the formulation of the Hessian are given to ensure accurate gradients and a symmetric Hessian. Robustness of the Newton approach is obtained using a globalization strategy with a robust linesearch procedure. Results of numerical experiments demonstrate that the Newton approach presented in this dissertation is able to provide fast and accurate controls for high-energy state transitions. Control of bound-to-bound and bound-to-continuum transitions in open quantum systems and vector field control of two-dimensional systems is presented. An efficient space-time spectral discretization of the time-dependent Schrodinger equation and preconditioning strategy for a fast approximate solution with Krylov methods is outlined.
We present a new open-source Python package, krotov, implementing the quantum optimal control method of that name. It allows to determine time-dependent external fields for a wide range of quantum control problems, including state-to-state transfer, quantum gate implementation and optimization towards an arbitrary perfect entangler. Krotov's method compares to other gradient-based optimization methods such as gradient-ascent and guarantees monotonic convergence for approximately time-continuous control fields. The user-friendly interface allows for combination with other Python packages, and thus high-level customization.
Methods of optimal control are applied to a model system of interacting two-level particles (e.g., spin-half atomic nuclei or electrons or two-level atoms) to produce high-fidelity quantum gates while simultaneously negating the detrimental effect of decoherence. One set of particles functions as the quantum information processor, whose evolution is controlled by a time-dependent external field. The other particles are not directly controlled and serve as an effective environment, coupling to which is the source of decoherence. The control objective is to generate target one- and two-qubit unitary gates in the presence of strong environmentally-induced decoherence and under physically motivated restrictions on the control field. The quantum-gate fidelity, expressed in terms of a novel state-independent distance measure, is maximized with respect to the control field using combined genetic and gradient algorithms. The resulting high-fidelity gates demonstrate the feasibility of precisely guiding the quantum evolution via the optimal control, even when the system complexity is exacerbated by environmental coupling. It is found that the gate duration has an important effect on the control mechanism and resulting fidelity. An analysis of the sensitivity of the gate performance to random variations in the system parameters reveals a significant degree of robustness attained by the optimal control solutions.