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The Journal of Chemical Physics

On the relationship between quantum control landscape structure and optimization complexity

Katharine W. Moore, Michael Hsieh, HERSCHEL A. RABITZ

Published Apr 18, 2008• 48 citations
Publisher

Abstract

It has been widely observed in optimal control simulations and experiments that state preparation is surprisingly easy to achieve, regardless of the dimension N of the system Hilbert space. In contrast, simulations for the generation of targeted unitary transformations indicate that the effort increases exponentially with N. In order to understand such behavior, the concept of quantum control landscapes was recently introduced, where the landscape is defined as the physical objective, as a function of the control variables. The present work explores how the local structure of the control landscape influences the effectiveness and efficiency of quantum optimal control search efforts. Optimizations of state and unitary transformation preparation using kinematic control variables (i.e., the elements of the action matrix) are performed with gradient, genetic, and simplex algorithms. The results indicate that the search effort scales weakly, or possibly independently, with N for state preparation, while the search effort for the unitary transformation objective increases exponentially with N. Analysis of the mean path length traversed during a search trajectory through the space of action matrices and the local structure along this trajectory provides a basis to explain the difference in the scaling of the search effort with N for these control objectives. Much more favorable scaling for unitary transformation preparation arises upon specifying an initial action matrix based on state preparation results. The consequences of choosing a reduced number of control variables for state preparation is also investigated, showing a significant reduction in performance for using fewer than 2N-2 variables, which is consistent with the topological analysis of the associated landscape.

DOI
10.1063/1.2907740

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It has been widely observed in optimal control simulations and experiments that state preparation is surprisingly easy to achieve, regardless of the dimension N of the system Hilbert space. In contrast, simulations for the generation of targeted unitary transformations indicate that the effort increases exponentially with N. In order to understand such behavior, the concept of quantum control landscapes was recently introduced, where the landscape is defined as the physical objective, as a function of the control variables. The present work explores how the local structure of the control landscape influences the effectiveness and efficiency of quantum optimal control search efforts. Optimizations of state and unitary transformation preparation using kinematic control variables (i.e., the elements of the action matrix) are performed with gradient, genetic, and simplex algorithms. The results indicate that the search effort scales weakly, or possibly independently, with N for state preparation, while the search effort for the unitary transformation objective increases exponentially with N. Analysis of the mean path length traversed during a search trajectory through the space of action matrices and the local structure along this trajectory provides a basis to explain the difference in the scaling of the search effort with N for these control objectives. Much more favorable scaling for unitary transformation preparation arises upon specifying an initial action matrix based on state preparation results. The consequences of choosing a reduced number of control variables for state preparation is also investigated, showing a significant reduction in performance for using fewer than 2N-2 variables, which is consistent with the topological analysis of the associated landscape.
Quantum optimal control experiments and simulations have successfully manipulated the dynamics of systems ranging from atoms to biomolecules. Surprisingly, these collective works indicate that the effort (i.e., the number of algorithmic iterations) required to find an optimal control field appears to be essentially invariant to the complexity of the system. The present work explores this matter in a series of systematic optimizations of the state-to-state transition probability on model quantum systems with the number of states NNN ranging from 5 through 100. The optimizations occur over a landscape defined by the transition probability as a function of the control field. Previous theoretical studies on the topology of quantum control landscapes established that they should be free of suboptimal traps under reasonable physical conditions. The simulations in this work include nearly 5000 individual optimization test cases, all of which confirm this prediction by fully achieving optimal population transfer of at least 99.9% on careful attention to numerical procedures to ensure that the controls are free of constraints. Collectively, the simulation results additionally show invariance of required search effort to system dimension NNN. This behavior is rationalized in terms of the structural features of the underlying control landscape. The very attractive observed scaling with system complexity may be understood by considering the distance traveled on the control landscape during a search and the magnitude of the control landscape slope. Exceptions to this favorable scaling behavior can arise when the initial control field fluence is too large or when the target final state recedes from the initial state as NNN increases.
The control of quantum system dynamics is generally performed by seeking a suitable applied field. The physical objective as a functional of the field forms the quantum control landscape, whose topology, under certain conditions, has been shown to contain no critical point suboptimal traps, thereby enabling effective searches for fields that give the global maximum of the objective. This paper addresses the structure of the landscape as a complement to topological critical point features. Recent work showed that landscape structure is highly favorable for optimization of state-to-state transition probabilities, in that gradient-based control trajectories to the global maximum value are nearly straight paths. The landscape structure is codified in the metric R ≥ 1.0, defined as the ratio of the length of the control trajectory to the Euclidean distance between the initial and optimal controls. A value of R = 1 would indicate an exactly straight trajectory to the optimal observable value. This paper extends the state-to-state transition probability results to the quantum ensemble and unitary transformation control landscapes. Again, nearly straight trajectories predominate, and we demonstrate that R can take values approaching 1.0 with high precision. However, the interplay of optimization trajectories with critical saddle submanifolds is found to influence landscape structure. A fundamental relationship necessary for perfectly straight gradient-based control trajectories is derived, wherein the gradient on the quantum control landscape must be an eigenfunction of the Hessian. This relation is an indicator of landscape structure and may provide a means to identify physical conditions when control trajectories can achieve perfect linearity. The collective favorable landscape topology and structure provide a foundation to understand why optimal quantum control can be readily achieved.
The optimal control of unitary transformations is a fundamental problem in quantum control theory and quantum information processing. The feasibility of performing such optimizations is determined by the computational and control resources required, particularly for systems with large Hilbert spaces. Prior work on unitary transformation control indicates that (i) for controllable systems, local extrema in the search landscape for optimal control of quantum gates have null measure, facilitating the convergence of local search algorithms, but (ii) the required time for convergence to optimal controls can scale exponentially with the Hilbert space dimension. Depending on the control-system Hamiltonian, the landscape structure and scaling may vary. This work introduces methods for quantifying Hamiltonian-dependent and kinematic effects on control optimization dynamics in order to classify quantum systems according to the search effort and control resources required to implement arbitrary unitary transformations.
The generation of specific unitary transformations is central to a variety of quantum control problems. Given a target unitary transformation, the optimal control landscape is defined as the Hilbert-Schmidt distance between the target and controlled unitary transformation as a function of the control variables. The critical topology of the landscape is analyzed for controllable quantum systems evolving under unitary dynamics over a finite dimensional Hilbert space. It is found that the critical regions of the landscape corresponding to global optima are isolated points, and the local optima are Grassmannian submanifolds. The volumes of the critical submanifolds corresponding to suboptimal critical values asymptotically vanish in the limit of large Hilbert space dimension. Furthermore, these critical submanifolds have saddle-point topology, which cannot act as traps when searching for optimal controls. These favorable properties of the local optima suggest that the landscape topology is generally amenable to optimization. The analysis is independent of the particular structure of the system Hamiltonian, except for the assumption of full controllability, and the results are universal to the control of unitary transformations of any quantum system.
A quantum control landscape is defined as the expectation value of a target observable Θ as a function of the control variables. In this work, control landscapes for open quantum systems governed by Kraus map evolution are analyzed. Kraus maps are used as the controls transforming an initial density matrix ρ i into a final density matrix to maximize the expectation value of the observable Θ. The absence of suboptimal local maxima for the relevant control landscapes is numerically illustrated. The dependence of the optimization search effort is analyzed in terms of the dimension of the system N , the initial state ρ i and the target observable Θ. It is found that if the number of nonzero eigenvalues in ρ i remains constant, the search effort does not exhibit any significant dependence on N . If ρ i has no zero eigenvalues, then the computational complexity and the required search effort rise with N . The dimension of the top manifold (i.e., the set of Kraus operators that maximizes the objective) is found to positively correlate with the optimization search efficiency. Under the assumption of full controllability, incoherent control modeled by Kraus maps is found to be more efficient in reaching the same value of the objective than coherent control modeled by unitary maps. Numerical simulations are also performed for control landscapes with linear constraints on the available Kraus maps, and suboptimal maxima are not revealed for these landscapes.
The control of quantum dynamics is generally accomplished by seeking a tailored electromagnetic field to meet a posed objective. A particular shaped field can be thought of as specifying a point on a quantum control landscape, which is the objective as a functional of the controls. Optimizing the pulse shape corresponds to climbing the landscape, and previous work showed that the paths taken up the landscapes, guided by a gradient algorithm, are surprisingly straight when projected into the space of control fields. The direct nature of these control trajectories can be quantified by the metric $R\ensuremath{\ge}1$, defined as the ratio of the length of the control trajectory to the Euclidean distance between its end points. The prior observation of often finding low values of RRR implies that the landscapes are structurally simple. In this work, we investigate whether there is a relationship between the intricacy of the control mechanism and the complexity of the trajectory taken through the control space reflected in the value of RRR. We use the Hamiltonian encoding procedure to identify the mechanism, and we examine control of the state-to-state transition probability. No significant correlation is found between the landscape structure, reflected in the value of RRR, and the control mechanism. This result has algorithmic implications, opening up the prospect of seeking fields producing particular mechanisms at little penalty in the search effort due to encountering complex landscape structure.