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Time-Optimal Control of Quantum Systems: Numerical Techniques and Singular Trajectories

Tyler Holden

Published Jun 21, 2011• 1 citation
OpenAlex

Abstract

As technological advances allow us to peer into and beyond microscopic phenomena, new theoretical developments are necessary to facilitate this exploration. In particular, the potential afforded by utilizing quantum resources promises to dramatically affect scientific research, communications, computation, and material science. \n \nControl theory is the field dedicated to the manipulation of systems, and quantum control theory pertains to the manoeuvring of quantum systems. Due to the inherent sensitivity of quantum ensembles to their environment, time-optimal solutions should be found in order to minimize exposure to external sources. Furthermore, the complexity of the Schr\\"odinger equation in describing the evolution of a unitary operator makes the analytical discovery of time-optimal solutions rare, motivating the development of numerical algorithms. \n \nThe seminal result of classical control is the Pontryagin Maximum Principle, which implies that a restriction to bounded control amplitudes admits two classifications of trajectories: bang-bang and singular. Extensions of this result to generalized control problems yield the same classification and hence arise in the study of quantum dynamics. While singular trajectories are often avoided in both classical and quantum literature, a full optimal synthesis requires that we analyze the possibility of their existence. \n \nWith this in mind, this treatise will examine the issue of time-optimal quantum control. In particular, we examine the results of existing numerical algorithms, including Gradient Ascent Pulse Engineering and the Kaya-Huneault method. We elaborate on the ideas of the Kaya-Huneault algorithm and present an alternative algorithm that we title the Real-Embedding algorithm. These methods are then compared when used to simulate unitary evolution. \n \nThis is followed by a brief examination on the conditions for the existence of singular controls, as well possible ideas and developments in creating geometry based numerical algorithms.

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As technological advances allow us to peer into and beyond microscopic phenomena, new theoretical developments are necessary to facilitate this exploration. In particular, the potential afforded by utilizing quantum resources promises to dramatically affect scientific research, communications, computation, and material science. \n \nControl theory is the field dedicated to the manipulation of systems, and quantum control theory pertains to the manoeuvring of quantum systems. Due to the inherent sensitivity of quantum ensembles to their environment, time-optimal solutions should be found in order to minimize exposure to external sources. Furthermore, the complexity of the Schr\"odinger equation in describing the evolution of a unitary operator makes the analytical discovery of time-optimal solutions rare, motivating the development of numerical algorithms. \n \nThe seminal result of classical control is the Pontryagin Maximum Principle, which implies that a restriction to bounded control amplitudes admits two classifications of trajectories: bang-bang and singular. Extensions of this result to generalized control problems yield the same classification and hence arise in the study of quantum dynamics. While singular trajectories are often avoided in both classical and quantum literature, a full optimal synthesis requires that we analyze the possibility of their existence. \n \nWith this in mind, this treatise will examine the issue of time-optimal quantum control. In particular, we examine the results of existing numerical algorithms, including Gradient Ascent Pulse Engineering and the Kaya-Huneault method. We elaborate on the ideas of the Kaya-Huneault algorithm and present an alternative algorithm that we title the Real-Embedding algorithm. These methods are then compared when used to simulate unitary evolution. \n \nThis is followed by a brief examination on the conditions for the existence of singular controls, as well possible ideas and developments in creating geometry based numerical algorithms.
Recently there has been a lot of interest in the potential applications of performing computations on systems whose governing physical laws are quantum, rather than classical in nature. These quantum computers would have the ability to perform some calculations which would not be feasible for their classical counterparts. To date, however, a quantum computer large enough to perform useful calculations has yet to be built. Before this can be accomplished, a method must be developed to control the underlying quantum systems. This is a problem which can naturally be formulated in the language of control theory. This report outlines the basic control-theoretic approach to time-optimally controlling quantum systems evolving under the dynamics of the Schr\\"{o}dinger operator equation. It is found that under the assumption of non-singularity, the controls which produce time-optimal trajectories are bang-bang. With this in mind, a switching time algorithm is implemented to find optimal bang-bang controls.
Grover's algorithm is one of the most famous algorithms which explicitly demonstrates how the quantum nature can be utilized to accelerate the searching process. In this work, Grover's quantum search problem is mapped to a time-optimal control problem. Resorting to Pontryagin's minimum principle, we find that the time-optimal solution has the bang-singular-bang structure. This structure can be derived naturally, without integrating the differential equations, using the geometric control technique where Hamiltonians in Schr\"odinger's equation are represented as vector fields. In view of optimal control, Grover's algorithm uses the bang-bang protocol to approximate the optimal protocol with a minimized number of bang-to-bang switchings to reduce the query complexity. Our work provides a concrete example of how Pontryagin's minimum principle is connected to quantum computation, and offers insight into how a quantum algorithm can be designed.
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.
Optimal control theory is applied to analyze the time-optimal solution with a single scalar control knob in a two-level quantum system without quantum decoherence. Emphasis is placed on the dependence on the maximum control strength umax{u}_{\text{max}}umax​. General constraints on the optimal protocol are derived and used to rigorously parametrize the time-optimal solution. Two concrete problems are investigated. For generic state preparation problems, both multiple bang-bang and bang-singular-bang are legitimate and should be considered. Generally, the optimal is bang-bang for small umax{u}_{\text{max}}umax​, and there exists a state-dependent critical amplitude above which singular control emerges. For the X-gate operation of a qubit, the optimal protocol is exclusively multiple bang-bang. The minimum gate time is about 80% of that based on the resonant Rabi $\ensuremath{\pi}$-pulse over a wide range of control strength; in the ${u}_{\text{max}}\ensuremath{\rightarrow}0$ limit, this ratio is derived to be $\ensuremath{\pi}/4$. To develop practically feasible protocols, we present methods to smooth the abrupt changes in the bang-bang control while preserving perfect gate fidelity. The presence of bang-bang segments in the time-optimal protocol indicates that the high-frequency components and a full calculation (instead of the commonly adopted rotating wave approximation) are essential for the ultimate quantum speed limit.
We study time-minimum optimal control for a class of quantum two-dimensional dissipative systems whose dynamics are governed by the Lindblad equation and where control inputs acts only in the Hamiltonian. The dynamics of the control system are analyzed as a bi-linear control system on the Bloch ball after a decoupling of such dynamics into intra- and inter-unitary orbits. The (singular) control problem consists of finding a trajectory of the state variables solving a radial equation in the minimum amount of time, starting at the completely mixed state and ending at the state with the maximum achievable purity.The boundary value problem determined by the time-minimum singular optimal control problem is studied numerically. If controls are unbounded, simulations show that multiple local minimal solutions might exist. To find the unique globally minimal solution, we must repeat the algorithm for various initial conditions and find the best solution out of all of the candidates. If controls are bounded, optimal controls are given by bang-bang controls using the Pontryagin minimum principle. Using a switching map we construct optimal solutions consisting of singular arcs. If controls are bounded, the analysis of our model also implies classical analysis done previously for this problem.
Abstract We present a general theoretical framework for finding the time-optimal unitary evolution of the quantum systems when the Hamiltonian is subject to arbitrary constraints. Quantum brachistochrone (QB) is such a framework based on the variational principle, whose drawback is that it only deals with equality constraints. While inequality constraints can be reduced to equality ones in some situations, they usually cannot, especially when a drift field, an uncontrollable part, is present in the Hamiltonian. We first develop a framework based on Pontryagin’s maximum principle (MP) in order to deal with inequality constraints as well. The new framework contains QB as a special case, and their detailed correspondence is given. Second, we address the problem of singular controls, which satisfy MP trivially so as to cause a trouble in determining the optimal protocol. To overcome this difficulty, we derive an additional necessary condition for a singular protocol to be optimal by applying the generalized Legendre–Clebsch condition. Third, we discuss general relations among the drift, the singular controls, and the inequality constraints. Finally, we demonstrate how our framework and results work in some examples. We also discuss the physical meaning of singular controls.