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arXiv:1611.09406 · Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences

Common foundations of optimal control across the sciences: evidence of a free lunch

Benjamin Russell, HERSCHEL A. RABITZ

Published Jan 23, 2017• 18 citations
arXivHTMLPDF

Abstract

A common goal in the sciences is optimization of an objective function by selecting control variables such that a desired outcome is achieved. This scenario can be expressed in terms of a control landscape of an objective considered as a function of the control variables. At the most basic level, it is known that the vast majority of quantum control landscapes possess no traps, whose presence would hinder reaching the objective. This paper reviews and extends the quantum control landscape assessment, presenting evidence that the same highly favourable landscape features exist in many other domains of science. The implications of this broader evidence are discussed. Specifically, control landscape examples from quantum mechanics, chemistry and evolutionary biology are presented. Despite the obvious differences, commonalities between these areas are highlighted within a unified mathematical framework. This mathematical framework is driven by the wide-ranging experimental evidence on the ease of finding optimal controls (in terms of the required algorithmic search effort beyond the laboratory set-up overhead). The full scope and implications of this observed common control behaviour pose an open question for assessment in further work.This article is part of the themed issue 'Horizons of cybernetical physics'.

DOI
10.1098/rsta.2016.0210

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A common goal in the sciences is optimization of an objective function by selecting control variables such that a desired outcome is achieved. This scenario can be expressed in terms of a control landscape of an objective considered as a function of the control variables. At the most basic level, it is known that the vast majority of quantum control landscapes possess no traps, whose presence would hinder reaching the objective. This paper reviews and extends the quantum control landscape assessment, presenting evidence that the same highly favourable landscape features exist in many other domains of science. The implications of this broader evidence are discussed. Specifically, control landscape examples from quantum mechanics, chemistry and evolutionary biology are presented. Despite the obvious differences, commonalities between these areas are highlighted within a unified mathematical framework. This mathematical framework is driven by the wide-ranging experimental evidence on the ease of finding optimal controls (in terms of the required algorithmic search effort beyond the laboratory set-up overhead). The full scope and implications of this observed common control behaviour pose an open question for assessment in further work.This article is part of the themed issue 'Horizons of cybernetical physics'.
Quantum control landscape theory was formulated to assess the ease of finding optimal control fields in simulations and in the laboratory. The landscape is the observable as a function of the controls, and a primary goal of the theory is the analysis of landscape features. In what is referred to as the kinematic picture of the landscape, prior work showed that the landscapes are generally free of traps that could halt the search for an optimal control at a suboptimal observable value. The present paper considers the dynamical picture of the landscape, seeking the existence of singular controls, especially of a nonkinematic nature along with an assessment of whether they correspond to traps. We analyze the necessary and sufficient conditions for singular controls to be kinematic or nonkinematic critical solutions and the likelihood of their being encountered while maximizing an observable. An algorithm is introduced to seek singular controls on the landscape in simulations along with an associated Hessian landscape analysis. Simulations are performed for a large number of model finite-level quantum systems, showing that all the numerically identified kinematic and nonkinematic singular critical controls are not traps, in support of the prior empirical observations on the ease of finding high-quality optimal control fields.
Optimization is ubiquitous in the control of quantum dynamics in atomic, molecular, and optical systems. The ease or difficulty of finding control solutions, which is practically crucial for developing quantum technologies, is highly dependent on the geometry of the underlying optimization landscapes. In this review, we give an introduction to the basic concepts in the theory of quantum optimal control landscapes, and their trap-free critical topology under two fundamental assumptions. Furthermore, the effects of various factors on the search effort are discussed, including control constraints, singularities, saddles, noises, and non-topological features of the landscapes. Additionally, we review recent experimental advances in the control of molecular and spin systems. These results provide an overall understanding of the optimization complexity of quantum control dynamics, which may help to develop more efficient optimization algorithms for quantum control systems, and as a promising extension, the training processes in quantum machine learning.
Numerous lines of experimental, numerical and analytical evidence indicate that it is surprisingly easy to locate optimal controls steering quantum dynamical systems to desired objectives. This has enabled the control of complex quantum systems despite the expense of solving the Schrödinger equation in simulations and the complicating effects of environmental decoherence in the laboratory. Recent work indicates that this simplicity originates in universal properties of the solution sets to quantum control problems that are fundamentally different from their classical counterparts. Here, we review studies that aim to systematically characterize these properties, enabling the classification of quantum control mechanisms and the design of globally efficient quantum control algorithms.
A puzzle arising in the control of quantum dynamics is to explain the relative ease with which high-quality control solutions can be found in the laboratory and in simulations. The emerging explanation appears to lie in the nature of the quantum control landscape, which is an observable as a function of the control variables. This work considers the common case of the observable being the transition probability between an initial and a target state. For any controllable quantum system, this landscape contains only global maxima and minima, and no local extrema traps. The probability distribution function for the landscape value is used to calculate the relative volume of the region of the landscape corresponding to good control solutions. The topology of the global optima of the landscape is analysed and the optima are shown to have inherent robustness to variations in the controls. Although the relative landscape volume of good control solutions is found to shrink rapidly as the system Hilbert space dimension increases, the highly favourable landscape topology at and away from the global optima provides a rationale for understanding the relative ease of finding high-quality, stable quantum optimal control solutions.
Why does controlling quantum phenomena appear easy to achieve? Why do effective quantum controls appear easy to find? Why is chemical synthesis and property optimization easier than expected? How to explain the commonalities across the optimal control applications in quantum mechanics, chemistry, material science, biological evolution and engineering? The theory of quantum control landscapes (QCL) is developed by Prof. Rabitz and his colleagues to address these puzzling questions. Unfortunately, the obtained conclusions are subject of gross misinterpretations which are spread in hundreds of published papers. We investigate, summarize and report several previously unknown subtleties of the QCL theory which have far-reaching implications for nearly all practical applications.
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.