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arXiv:1103.5390 · The Journal of Chemical Physics

Exploring the top and bottom of the quantum control landscape

Vincent Beltrani, Jason Dominy, Tak‐San Ho, HERSCHEL A. RABITZ

Published May 17, 2011• 31 citations
arXivHTMLPDF

Abstract

A controlled quantum system possesses a search landscape defined by the target physical objective as a function of the controls. This paper focuses on the landscape for the transition probability P(i → f) between the states of a finite level quantum system. Traditionally, the controls are applied fields; here, we extend the notion of control to also include the Hamiltonian structure, in the form of time independent matrix elements. Level sets of controls that produce the same transition probability value are shown to exist at the bottom P(i → f)=0.0 and top P(i → f)=1.0 of the landscape with the field and/or Hamiltonian structure as controls. We present an algorithm to continuously explore these level sets starting from an initial point residing at either extreme value of P(i → f). The technique can also identify control solutions that exhibit the desirable properties of (a) robustness at the top and (b) the ability to rapidly rise towards an optimal control from the bottom. Numerical simulations are presented to illustrate the varied control behavior at the top and bottom of the landscape for several simple model systems.

DOI
10.1063/1.3589404

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A controlled quantum system possesses a search landscape defined by the target physical objective as a function of the controls. This paper focuses on the landscape for the transition probability P(i → f) between the states of a finite level quantum system. Traditionally, the controls are applied fields; here, we extend the notion of control to also include the Hamiltonian structure, in the form of time independent matrix elements. Level sets of controls that produce the same transition probability value are shown to exist at the bottom P(i → f)=0.0 and top P(i → f)=1.0 of the landscape with the field and/or Hamiltonian structure as controls. We present an algorithm to continuously explore these level sets starting from an initial point residing at either extreme value of P(i → f). The technique can also identify control solutions that exhibit the desirable properties of (a) robustness at the top and (b) the ability to rapidly rise towards an optimal control from the bottom. Numerical simulations are presented to illustrate the varied control behavior at the top and bottom of the landscape for several simple model systems.
A controlled quantum system possesses a search landscape defined by the observable value as a functional of the control field. Within the search landscape, there exist level sets of controls giving the same observable value. This paper focuses on level sets of the transition probability Pi¿f. For transition probabilities 0i¿fi¿f= 1, a second order D-MORPH algorithm is presented that can explore the perfect control level set. D-MORPH is utilized to identify level set members that exhibit certain desirable secondary characteristics, e.g., minimal pulse fluence. Numerical simulations for finite level systems are presented to illustrate the variety of control behavior found across level set members.
A traditional quantum optimal control experiment begins with a specific physical system and seeks an optimal time-dependent field to steer the evolution towards a target observable value. In a more general framework, the Hamiltonian structure may also be manipulated when the material or molecular 'stockroom' is accessible as a part of the controls. The current work takes a step in this direction by considering the converse of the normal perspective to now start with a specific fixed field and employ the system's time-independent Hamiltonian structure as the control to identify an optimal form. The Hamiltonian structure control variables are taken as the system energies and transition dipole matrix elements. An analysis is presented of the Hamiltonian structure control landscape, defined by the observable as a function of the Hamiltonian structure. A proof of system controllability is provided, showing the existence of a Hamiltonian structure that yields an arbitrary unitary transformation when working with virtually any field. The landscape analysis shows that there are no suboptimal traps (i.e., local extrema) for controllable quantum systems when unconstrained structural controls are utilized to optimize a state-to-state transition probability. This analysis is corroborated by numerical simulations on model multilevel systems. The search effort to reach the top of the Hamiltonian structure landscape is found to be nearly invariant to system dimension. A control mechanism analysis is performed, showing a wide variety of behavior for different systems at the top of the Hamiltonian structure landscape. It is also shown that reducing the number of available Hamiltonian structure controls, thus constraining the system, does not always prevent reaching the landscape top. The results from this work lay a foundation for considering the laboratory implementation of optimal Hamiltonian structure manipulation for seeking the best control performance, especially with limited electromagnetic resources.
A common goal of quantum control is to maximize a physical observable through the application of a tailored field. The observable value as a function of the field constitutes a quantum-control landscape. Previous papers have shown, under specified conditions, that the quantum-control landscape should be free of suboptimal critical points. This favorable landscape topology is one factor contributing to the efficiency of climbing the landscape. An additional complementary factor is the landscape structure, which constitutes all nontopological features. If the landscape's structure is too complex, then climbs may be forced to take inefficient convoluted routes to find optimal controls. This paper provides a foundation for understanding control-landscape structure by examining the linearity of gradient-based optimization trajectories through the space of control fields. For this assessment, a metric $R\ensuremath{\ge}1$ is defined as the ratio of the path length of the optimization trajectory to the Euclidean distance between the initial control field and the resultant optimal control field that takes an observable from the bottom to the top of the landscape. Computational analyses for simple model quantum systems are performed to ascertain the relative abundance of nearly straight control trajectories encountered when optimizing a state-to-state transition probability. The distribution of RRR values is found to be centered near remarkably low values upon sampling large numbers of randomly chosen initial control fields. Additionally, a stochastic algorithm is used to locate many distinct initial control fields, each of which corresponds to the start of an almost straight control trajectory with $R\ensuremath{\simeq}1.0$. The collected results indicate that quantum-control landscapes have very simple structural features. The favorable topology and the complementary simple structure of the control landscape provide a basis for understanding the generally observed ease of optimizing a state-to-state transition probability.
The dynamics of closed quantum systems may be manipulated by using an applied field to achieve a control objective value for a physical goal. The functional relationship between the applied field and the objective value forms a quantum control landscape, and the optimization process consists of a guided climb up the landscape from the bottom to the top. Two classes of landscape features are important for understanding the ease of finding an optimal control field. The first class of topological landscape features has been proven to be especially simple in that no suboptimal local maxima exist (upon satisfaction of certain assumptions), which partially accounts for the ease of finding optimal fields. Complementary to the topology, the second class of features entails the landscape structure, characterizing the sinuous nature of the paths leading to an optimal control field. Previous work found that the landscape structure is also particularly simple, as excursions up the landscape guided by a gradient algorithm correspond to nearly straight paths through the space of control fields. In this paper we take an alternative approach to examining landscape structure by constructing, and then following, exactly straight trajectories in control space. Each trajectory starts at a corresponding point on the bottom of the landscape and ends at an associated point on the top, with the observable values taken either as the state-to-state transition probability, the expectation value of a general observable, or the distance from a desired unitary transformation. In some cases the starting point is at a suboptimal critical-point saddle, with the goal, again, of following a straight field path to the optimal objective yield or another suboptimal critical point. We find that the objective value almost always rises monotonically upon following a straight control path from one critical point to another, which shows that landscape structure is very simple, being devoid of rough bumps and gnarled ``twists and turns''. An analysis reveals that the generally featureless nature of quantum control landscapes can be understood in terms of the occurrence of many interfering quantum pathways contributing while traversing the landscape, essentially smoothing out the terrain. These results also provide a basis for further studies to seek a new efficient algorithm to discover optimal fields by means of taking into account the inherently smooth landscape structure.
An optimally controlled quantum system possesses a search landscape defined by the physical objective as a functional of the control field. This paper particularly explores the topological structure of quantum mechanical transition probability landscapes. The quantum system is assumed to be controllable and the analysis is based on the Euler-Lagrange variational equations derived from a cost function only requiring extremizing the transition probability. It is shown that the latter variational equations are automatically satisfied as a mathematical identity for control fields that either produce transition probabilities of zero or unit value. Similarly, the variational equations are shown to be inconsistent (i.e., they have no solution) for any control field that produces a transition probability different from either of these two extreme values. An upper bound is shown to exist on the norm of the functional derivative of the transition probability with respect to the control field anywhere over the landscape. The trace of the Hessian, evaluated for a control field producing a transition probability of a unit value, is shown to be bounded from below. Furthermore, the Hessian at a transition probability of unit value is shown to have an extensive null space and only a finite number of negative eigenvalues. Collectively, these findings show that (a) the transition probability landscape extrema consists of values corresponding to no control or full control, (b) approaching full control involves climbing a gentle slope with no false traps in the control space and (c) an inherent degree of robustness exists around any full control solution. Although full controllability may not exist in some applications, the analysis provides a basis to understand the evident ease of finding controls that produce excellent yields in simulations and in the laboratory.
A quantum control landscape is defined by the value of a physical observable as a functional of the time-dependent control field E(t)E(t)E(t) for a given quantum-mechanical system. Level sets through this landscape are prescribed by a particular value of the target observable at the final dynamical time TTT, regardless of the intervening dynamics. We present a technique for exploring a landscape level set, where a scalar variable sss is introduced to characterize trajectories along these level sets. The control fields E(s,t)E(s,t)E(s,t) accomplishing this exploration (i.e., that produce the same value of the target observable for a given system) are determined by solving a differential equation over sss in conjunction with the time-dependent Schr\"odinger equation. There is full freedom to traverse a level set, and a particular trajectory is realized by making an a priori choice for a continuous function f(s,t)f(s,t)f(s,t) that appears in the differential equation for the control field. The continuous function f(s,t)f(s,t)f(s,t) can assume an arbitrary form, and thus a level set generally contains a family of controls, where each control takes the quantum system to the same final target value, but produces a distinct control mechanism. In addition, although the observable value remains invariant over the level set, other dynamical properties (e.g., the degree of robustness to control noise) are not specifically preserved and can vary greatly. Examples are presented to illustrate the continuous nature of level-set controls and their associated induced dynamical features, including continuously morphing mechanisms for population control in model quantum systems.