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Journal of Mathematical Chemistry

Inherently trap-free convex landscapes for fully quantum optimal control

Re-Bing Wu, Qiuyang Sun, Tak‐San Ho, HERSCHEL A. RABITZ

Published Aug 24, 2019• 6 citations
Publisher
DOI
10.1007/s10910-019-01059-4

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The control of quantum systems has been proven to possess trap-free optimization landscapes under the satisfaction of proper assumptions. However, many details of the landscape geometry and their influence on search efficiency still need to be fully understood. This paper numerically explores the path-connectedness of globally optimal control solutions forming the top manifold of the landscape. We randomly sample a plurality of optimal controls in the top manifold to assess the existence of a continuous path at the top of the landscape that connects two arbitrary optimal solutions. It is shown that for different quantum control objectives including state-to-state transition probabilities, observable expectation values and unitary transformations, such a continuous path can be readily found, implying that these top manifolds are fundamentally path-connected. The significance of the latter conjecture lies in seeking locations in the top manifold where an ancillary objective can also be optimized while maintaining the full optimality of the original objective that defined the 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.