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arXiv:2401.10120 · INFORMS journal on computing

Binary Quantum Control Optimization with Uncertain Hamiltonians

Xinyu Fei, Lucas T. Brady, Jeffrey M. Larson, Sven Leyffer, Siqian Shen

Published Nov 7, 2024• 1 citation
arXivHTMLPDF

Abstract

Optimizing the controls of quantum systems plays a crucial role in advancing quantum technologies. The time-varying noises in quantum systems and the widespread use of inhomogeneous quantum ensembles raise the need for high-quality quantum controls under uncertainties. In this paper, we consider a stochastic discrete optimization formulation of a discretized binary optimal quantum control problem involving Hamiltonians with predictable uncertainties. We propose a sample-based reformulation that optimizes both risk-neutral and risk-averse measurements of control policies, and solve these with two gradient-based algorithms using sum-up-rounding approaches. Furthermore, we discuss the differentiability of the objective function and prove upper bounds of the gaps between the optimal solutions to binary control problems and their continuous relaxations. We conduct numerical simulations on various sized problem instances based on two applications of quantum pulse optimization; we evaluate different strategies to mitigate the impact of uncertainties in quantum systems. We demonstrate that the controls of our stochastic optimization model achieve significantly higher quality and robustness compared with the controls of a deterministic model. History: Accepted by Giacomo Nannicini, Area Editor for Quantum Computing and Operations Research. Accepted for Special Issue. Funding: This work was supported by the US Department of Energy, Advanced Scientific Computing Research [Grants DE-AC02-06CH11357, DE-SC0018018]; Defense Sciences Office, DARPA [Grant IAA-8839-annex-130]; the US National Science Foundation, Division of Civil, Mechanical and Manufacturing Innovation [Grant 2041745]; and the US National Aeronautics and Space Administration (NASA) Ames Research Center [Grant 80ARC020D0010]. Supplemental Material: The software that supports the findings of this study is available within the paper and its Supplemental Information ( https://pubsonline.informs.org/doi/suppl/10.1287/ijoc.2024.0560 ) as well as from the IJOC GitHub software repository ( https://github.com/INFORMSJoC/2024.0560 ). The complete IJOC Software and Data Repository is available at https://informsjoc.github.io/ .

DOI
10.1287/ijoc.2024.0560

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Optimizing the controls of quantum systems plays a crucial role in advancing quantum technologies. The time-varying noises in quantum systems and the widespread use of inhomogeneous quantum ensembles raise the need for high-quality quantum controls under uncertainties. In this paper, we consider a stochastic discrete optimization formulation of a discretized binary optimal quantum control problem involving Hamiltonians with predictable uncertainties. We propose a sample-based reformulation that optimizes both risk-neutral and risk-averse measurements of control policies, and solve these with two gradient-based algorithms using sum-up-rounding approaches. Furthermore, we discuss the differentiability of the objective function and prove upper bounds of the gaps between the optimal solutions to binary control problems and their continuous relaxations. We conduct numerical simulations on various sized problem instances based on two applications of quantum pulse optimization; we evaluate different strategies to mitigate the impact of uncertainties in quantum systems. We demonstrate that the controls of our stochastic optimization model achieve significantly higher quality and robustness compared with the controls of a deterministic model. History: Accepted by Giacomo Nannicini, Area Editor for Quantum Computing and Operations Research. Accepted for Special Issue. Funding: This work was supported by the US Department of Energy, Advanced Scientific Computing Research [Grants DE-AC02-06CH11357, DE-SC0018018]; Defense Sciences Office, DARPA [Grant IAA-8839-annex-130]; the US National Science Foundation, Division of Civil, Mechanical and Manufacturing Innovation [Grant 2041745]; and the US National Aeronautics and Space Administration (NASA) Ames Research Center [Grant 80ARC020D0010]. Supplemental Material: The software that supports the findings of this study is available within the paper and its Supplemental Information ( https://pubsonline.informs.org/doi/suppl/10.1287/ijoc.2024.0560 ) as well as from the IJOC GitHub software repository ( https://github.com/INFORMSJoC/2024.0560 ). The complete IJOC Software and Data Repository is available at https://informsjoc.github.io/ .
Applying sophisticated optimization methods to control problems in various systems offers a structured approach for achieving system efficiency and reliability, while ensuring the feasibility of physics-based constraints. This dissertation primarily focuses on developing optimization algorithms for control problems in complex systems with mixed-integer variables and parameter uncertainties. In Chapter 1, we provide a detailed introduction about the problem motivation and summarize our problems and contributions. Specifically, we develop new optimization models and algorithms for network-based traffic control and binary control in quantum systems, detailed as follows. Traffic signal control is an effective way of mitigating traffic congestion, where its complexity escalates in large cities due to numerous intersections and varying traffic conditions. Advancements in communication technologies within transportation infrastructures have made distributed traffic signal control at the network level possible and worth investigating. In Chapter 2, we build a stochastic optimization model for network-level traffic signal control under traffic demand uncertainty and solve it using decentralized algorithms. We compare the results with state-of-the-art traffic control methods via testing instances of real-world traffic networks and data. Quantum computing and quantum systems provide a novel way of significantly accelerating computation and their operations largely rely on quantum pulse control optimization to attain desired states or status. The optimization of binary quantum pulse control can potentially enhance the performance of classical quantum variational techniques and improve solution quality. In Chapter 3, we study a discrete-valued binary quantum control problem and propose an algorithmic framework to solve the problem with penalty on switches. In Chapter 4, we explore the binary quantum control problem in a continuous time horizon by optimizing both control functions and control time intervals. Moreover, the time-varying noise in quantum systems and the wide use of inhomogeneous quantum ensembles highlight the need for quantum controls considering uncertainties. In Chapter 5, we develop a stochastic optimization model for the binary quantum control problem with uncertain Hamiltonian controllers and solve it using gradient-based methods with rounding algorithms. We test the performance of our approaches and benchmark with state-of-the-art control methods in all three chapters. Lastly, in Chapter 6, we conclude the dissertation and state future research directions.
Quantum control aims to manipulate quantum systems toward specific quantum states or desired operations. Designing highly accurate and effective control steps is vitally important to various quantum applications, including energy minimization and circuit compilation. In this paper we focus on discrete binary quantum control problems and apply different optimization algorithms and techniques to improve computational efficiency and solution quality. Specifically, we develop a generic model and extend it in several ways. We introduce a squared L2 -penalty function to handle additional side constraints, to model requirements such as allowing at most one control to be active. We introduce a total variation (TV) regularizer to reduce the number of switches in the control. We modify the popular gradient ascent pulse engineering (GRAPE) algorithm, develop a new alternating direction method of multipliers (ADMM) algorithm to solve the continuous relaxation of the penalized model, and then apply rounding techniques to obtain binary control solutions. We propose a modified trust-region method to further improve the solutions. Our algorithms can obtain high-quality control results, as demonstrated by numerical studies on diverse quantum control examples.
Recent advances in quantum computing and the increasing availability of quantum hardware have substantially enhanced the practical relevance of quantum approaches to discrete optimization. Among these, the Quadratic Unconstrained Binary Optimization (QUBO) formulation provides a unifying modeling framework for a broad class of NP\mathbf{NP}NP-hard problems and is naturally suited to quantum computing and quantum-inspired algorithms. Location science, network design, and logistics represent core application domains of discrete optimization, combining high practical impact with substantial computational challenges. In this work, we develop QUBO formulations for several fundamental problems in these domains, including a nonlinear integer formulation of the Discrete Ordered Median Problem (DOMP). Beyond their modeling relevance, these QUBO formulations serve as representative benchmark problems for assessing quantum algorithms and quantum hardware. We further derive a tight bound for the penalty parameter ensuring equivalence between the QUBO formulation and its underlying integer program. Finally, we conduct a comprehensive computational study using QAOA, WS-QAOA, and classical heuristics for QUBO instances of the ppp-Median Problem and the Fixed-Charge Facility Location Problem (FCFLP), and introduce two effective warm-start strategies for WS-QAOA based on its linear programming relaxation.
Quantum optimal control is a technique for controlling the evolution of a quantum system and has been applied to a wide range of problems in quantum physics. We study a binary quantum control optimization problem, where control decisions are binary-valued and the problem is solved in diverse quantum algorithms. In this paper, we utilize classical optimization and computing techniques to develop an algorithmic framework that sequentially optimizes the number of control switches and the duration of each control interval on a continuous time horizon. Specifically, we first solve the continuous relaxation of the binary control problem based on time discretization and then use a heuristic to obtain a controller sequence with a penalty on the number of switches. Then, we formulate a switching time optimization model and apply sequential least-squares programming with accelerated time-evolution simulation to solve the model. We demonstrate that our computational framework can obtain binary controls with high-quality performance and also reduce computational time via solving a family of quantum control instances in various quantum physics applications.
The control of matter and energy at a fundamental level will be a cornerstone of new technologies for years to come. This idea is exemplified in a distilled form by controlling the dynamics of quantum mechanical systems via a time-dependent potential. The contributions detailed within this work focus on the computational aspects of formulating and solving quantum control problems efficiently. The accurate numerical computation of optimal controls of infinite dimensional quantum control problems is a very difficult task that requires to take into account the features of the original infinite dimensional problem. An important issue is the choice of the functional space where the minimization process is defined. A systematic comparison of L2 versus H1 based minimization shows that the choice of the appropriate functional space matters and has many consequences in the implementation of some optimization techniques. A matrix-free cascadic BFGS algorithm is introduced in the L 2 and H1 settings and it is demonstrated that the choice of H1 over L2 results in a substantial performance and robustness increase. A comparison between optimal control resulting from function space minimization and the control obtained by minimization over Chebyshev and POD basis function coefficients is presented. A theoretical and computational framework is presented to obtain accurate controls for fast quantum state transitions that are needed in a host of applications such as nano electronic devices and quantum computing. This method is based on a reduced Hessian Krylov-Newton scheme applied to a norm-preserving discrete model of a dipole quantum control problem. The use of second-order numerical methods for solving the control problem is justified proving existence of optimal solutions and analyzing first- and second-order optimality conditions. Criteria for the discretization of the non-convex optimization problem and for the formulation of the Hessian are given to ensure accurate gradients and a symmetric Hessian. Robustness of the Newton approach is obtained using a globalization strategy with a robust linesearch procedure. Results of numerical experiments demonstrate that the Newton approach presented in this dissertation is able to provide fast and accurate controls for high-energy state transitions. Control of bound-to-bound and bound-to-continuum transitions in open quantum systems and vector field control of two-dimensional systems is presented. An efficient space-time spectral discretization of the time-dependent Schrodinger equation and preconditioning strategy for a fast approximate solution with Krylov methods is outlined.