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Journal of Physics A Mathematical and Theoretical

Solving quantum optimal control problems using Clebsch variables and Lin constraints

M. Delgado-Téllez, Alberto Ibort, Thalía Rodríguez de la Peña

Published Nov 7, 2017• 1 citation
Publisher

Abstract

Abstract Clebsch variables (and Lin constraints) are applied to the study of a class of optimal control problems for affine-controlled quantum systems. The optimal control problem will be modelled with controls defined on an auxiliary space where the dynamical group of the system acts freely. The reciprocity between both theories: the classical theory defined by the objective functional and the quantum system, is established by using a suitable version of Lagrange’s multipliers theorem and a geometrical interpretation of the constraints of the system as defining a subspace of horizontal curves in an associated bundle. It is shown how the solutions of the variational problem defined by the objective functional determine solutions of the quantum problem. Then a new way of obtaining explicit solutions for a family of optimal control problems for affine-controlled quantum systems (finite or infinite dimensional) is obtained. One of its main advantages, is the the use of Clebsch variables allows to compute such solutions from solutions of invariant problems that can often be computed explicitly. This procedure can be presented as an algorithm that can be applied to a large class of systems. Finally, some simple examples, spin control, a simple quantum Hamiltonian with an ‘Elroy beanie’ type classical model and a controlled one-dimensional quantum harmonic oscillator, illustrating the main features of the theory, will be discussed.

DOI
10.1088/1751-8121/aa98ab

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Abstract Clebsch variables (and Lin constraints) are applied to the study of a class of optimal control problems for affine-controlled quantum systems. The optimal control problem will be modelled with controls defined on an auxiliary space where the dynamical group of the system acts freely. The reciprocity between both theories: the classical theory defined by the objective functional and the quantum system, is established by using a suitable version of Lagrange’s multipliers theorem and a geometrical interpretation of the constraints of the system as defining a subspace of horizontal curves in an associated bundle. It is shown how the solutions of the variational problem defined by the objective functional determine solutions of the quantum problem. Then a new way of obtaining explicit solutions for a family of optimal control problems for affine-controlled quantum systems (finite or infinite dimensional) is obtained. One of its main advantages, is the the use of Clebsch variables allows to compute such solutions from solutions of invariant problems that can often be computed explicitly. This procedure can be presented as an algorithm that can be applied to a large class of systems. Finally, some simple examples, spin control, a simple quantum Hamiltonian with an ‘Elroy beanie’ type classical model and a controlled one-dimensional quantum harmonic oscillator, illustrating the main features of the theory, will be discussed.
We investigate the problem of control of quantum systems. Various notions of controllability of quantum systems are discussed and Lie algebraic techniques are employed to derive necessary and sufficient conditions for the resulting degrees of controllability. The results are employed to study the degree of controllability for various model systems. The problem of optimal control is formulated as a problem of maximisation of the expectation value of an observable of the system subject to dynamical constraints and costs. A class of iterative algorithms is discussed, and shown to converge to a solution of the Euler-Lagrange equations, which is a necessary condition for optimality of a solution. A numerical realisation of the algorithm is presented and potential implementation of the resulting control fields in the laboratory is discussed. The algorithm is applied to find optimal control fields for a variety of applications including selective and simultaneous excitation of individual quantum dots in a globally addressed ensemble, creation of superposition states, and selective excitation of certain vibrational modes of a simple molecule such as Hydrogen Fluoride. In each case we systematically explore the parameter space of the algorithm to select solutions with desirable physical features from the multitude of possible choices. As there are many possible optimal control fields which give similar yields the question of whether some are more robust than others is investigated. A number of optimal fields are analysed quantitatively in terms of robustness with regard to temporal and spectral noise affecting the fields, uncertainty in the model parameters and the effect of experimental limitations such as restrictions on the bandwidth of the fields. It is shown that whilst the solutions tend to be sensitive to uncertainty in the energy levels chosen for the model, they appear to be surprisingly tolerant to even severe bandwidth limitations.
The optimal control of the path to a specified final state of a quantum-mechanical system is investigated. The problem is formulated as a minimization problem over appropriate function spaces, and the well-posedness of this problem is is established by proving the existence of an optimal solution. A Lagrange-multiplier technique is used to reduce the problem to an equivalent optimization problem and to derive necessary conditions for a minimum. These necessary conditions form the basis for a gradient iterative procedure to search for a minimum. A numerical scheme based on finite differences is used to reduce the infinite-dimensional minimization problem to an approximate finite-dimensional problem. Numerical examples are provided for final-state control of a diatomic molecule represented by a Morse potential. Within the context of this optimal control formulation, numerical results are given for the optimal pulsing strategy to demonstrate the feasibility of wave-packet control and finally to achieve a specified dissociative wave packet at a given time. The optimal external optical fields generally have a high degree of structure, including an early time period of wave-packet phase adjustment followed by a period of extensive energy deposition to achieve the imposed objective. Constraints on the form of the molecular dipole (e.g., a linear dipole) are shown to limit the accessibility (i.e., controllability) of certain types of molecular wave-packet objectives. The nontrivial structure of the optimal pulse strategies emphasizes the ultimate usefulness of an optimal-control approach to the steering of quantum systems to desired objectives.
Abstract Quantum optimal control (QOC) is a set of methods for designing time-varying electromagnetic fields to perform operations in quantum technologies. This tutorial paper introduces the basic elements of this theory based on the Pontryagin maximum principle, in a physicist-friendly way. An analogy with classical Lagrangian and Hamiltonian mechanics is proposed to present the main results used in this field. Emphasis is placed on the different numerical algorithms to solve a QOC problem. Several examples ranging from the control of two-level quantum systems to that of Bose–Einstein condensates (BECs) in a one-dimensional optical lattice are studied in detail, using both analytical and numerical methods. Codes based on shooting method and gradient-based algorithms are provided. The connection between optimal processes and the quantum speed limit is also discussed in two-level quantum systems. In the case of BEC, the experimental implementation of optimal control protocols is described, both for two-level and many-level cases, with the current constraints and limitations of such platforms. This presentation is illustrated by the corresponding experimental results.
Optimal Control Theory is a powerful mathematical tool, which has known a rapid development since the 1950s, mainly for engineering applications. More recently, it has become a widely used method to improve process performance in quantum technologies by means of highly efficient control of quantum dynamics. This tutorial aims at providing an introduction to key concepts of optimal control theory which is accessible to physicists and engineers working in quantum control or in related fields. The different mathematical results are introduced intuitively, before being rigorously stated. This tutorial describes modern aspects of optimal control theory, with a particular focus on the Pontryagin Maximum Principle, which is the main tool for determining open-loop control laws without experimental feedback. The different steps to solve an optimal control problem are discussed, before moving on to more advanced topics such as the existence of optimal solutions or the definition of the different types of extremals, namely normal, abnormal, and singular. The tutorial covers various quantum control issues and describes their mathematical formulation suitable for optimal control. The connection between the Pontryagin Maximum Principle and gradient-based optimization algorithms used for high-dimensional quantum systems is described. The optimal solution of different low-dimensional quantum systems is presented in detail, illustrating how the mathematical tools are applied in a practical way.
This thesis is concerned with the control and filtering problems for quantum systems. Two kinds of control problems are considered for a class of quantum systems: optimal control and trajectory tracking control. Filtering of a class of linear quantum systems is also investigated. \n \nFor the optimal control of quantum systems, the system in question evolves on a manifold inR^3 and is modeled as a bilinear control form whose states are represented as coherence vectors. An associated matrix Lie group system with state space S O(3) is introduced in order to facilitate solving the given problem. The controllability as well as the reachable set of the system is analyzed in detail. The maximum principle is applied to the optimal control for systems evolving on the Lie group of special orthogonal matrices of dimension 3, with cost that is quadratic in the control input. Controlling the evolutions of coherence vector is equivalent to controlling the states of an associated matrix Lie group system. Thus, the optimal control problem for single spin-1/2 systems can be transformed to steer state of the matrix Lie group system from the identity matrix to a final matrix corresponding to a target state of single spin-1/2 systems in an optimal fashion. The obtained result is employed to perform a reversible logic quantum operation NOT on single spin-1/2 systems. Explicit expressions for the optimal control are given which are linked to the initial state of the system. The main contribution of the result is to extend the existing result to a larger class of systems, generalizing existing wave-function-based results to single spin-1/2 systems whose states are represented by density matrices such that it allows the inclusion of mixed states. \n \nFor the tracking control problem of closed single spin-1/2 quantum ensembles, based on the Liouville-von Neumann equation, mathematical model of dynamics for single spin-1/2 quantum ensembles are formulated as a bilinear form with states evolving on Bloch sphere. For a typical setting in NMR, one in general would not cancel the applied electromagnetic field along a specified direction, thus leading to the dynamics in a plane perpendicular to that direction on the Bloch sphere. One natural question arises that how can one design a feedback controller such that given an initial condition for quantum ensembles, the system evolutions can be steered to the pre-determined trajectory. An associated matrix Lie group differential equation describing transfers from the initial state being an identity matrix is naturally introduced. The tracking problem for the system of interest is transformed to a stabilization problem such that the control techniques are able to be used. A distance function as well as a distance vector defined on the Lie group SO(3) are introduced, which can be used to construct a Lyapunov function to deal with the tracking problem. In order to deal with the tracking problem, the Lyapunov-based feedback design method is employed to obtain the feedback control such that the dynamics of system can converge to the reference trajectory. \n \nFor filtering of quantum systems, the filter problem of a class of linear quantum stochastic systems with quantum noise is investigated. The quantum system model is first analyzed, then the necessary conditions of nondemolition are obtained by applying the observation principle. The relations between the input and output noise are necessary for the nondemolition measurement of the quantum output channels. Given prescribed quantum system, the filter of the system is derived using those necessary conditions.
A new formalism for the optimal control of quantum mechanical physical observables is presented. This approach is based on an analogous classical control technique reported previously. [1] Quantum Lagrange multiplier functions are used to preserve a chosen subset of the observable dynamics of interest. As a result, a corresponding small set of Lagrange multipliers needs to be calculated and they are only a function of time. This is a considerable simplification over traditional quantum optimal control theory. [2] The success of the new approach is based on taking advantage of the multiplicity of solutions to virtually any problem of quantum control to meet a physical objective. A family of such simplified formulations is introduced and numerically tested. Results are presented for these algorithms and compared with previous reported work on a model problem for selective unimolecular reaction induced by an external optical electric field. 1 I.