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Physical Review A

Solving constrained optimization problems via the variational quantum eigensolver with constraints

Thinh Viet Le, Vassilis Kekatos

Published Aug 20, 2024• 15 citations
Publisher

Abstract

Variational quantum approaches have shown great promise in finding near-optimal solutions to computationally challenging tasks, including solving optimization problems. Nonetheless, optimization problems with constraints may not have been handled in a disciplined fashion thus far. To address this gap, this work proposes a hybrid quantum-classical algorithmic paradigm termed the variational quantum eigensolver with constraints (VQEC) that extends the celebrated VQE to handle optimization with constraints. As with the standard VQE, the vector of optimization variables is captured by the state of a variational quantum circuit (VQC). To deal with constraints, VQEC optimizes a Lagrangian function classically over both the VQC parameters as well as the dual variables associated with constraints. To comply with the quantum setup, variables are updated via a perturbed primal-dual method leveraging the parameter shift rule. Among a wide gamut of potential applications, we showcase how VQEC can approximately solve quadratically constrained binary optimization problems, find stochastic binary policies satisfying quadratic constraints on the average and in probability, and solve large-scale linear programs over the probability simplex. Under an assumption on the error for the VQC to approximate an arbitrary probability mass function, we provide bounds on the optimality gap attained by a VQC. Numerical tests on a quantum simulator investigate the effect of various parameters and corroborate that VQEC can generate high-quality solutions.

DOI
10.1103/physreva.110.022430

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Variational quantum approaches have shown great promise in finding near-optimal solutions to computationally challenging tasks, including solving optimization problems. Nonetheless, optimization problems with constraints may not have been handled in a disciplined fashion thus far. To address this gap, this work proposes a hybrid quantum-classical algorithmic paradigm termed the variational quantum eigensolver with constraints (VQEC) that extends the celebrated VQE to handle optimization with constraints. As with the standard VQE, the vector of optimization variables is captured by the state of a variational quantum circuit (VQC). To deal with constraints, VQEC optimizes a Lagrangian function classically over both the VQC parameters as well as the dual variables associated with constraints. To comply with the quantum setup, variables are updated via a perturbed primal-dual method leveraging the parameter shift rule. Among a wide gamut of potential applications, we showcase how VQEC can approximately solve quadratically constrained binary optimization problems, find stochastic binary policies satisfying quadratic constraints on the average and in probability, and solve large-scale linear programs over the probability simplex. Under an assumption on the error for the VQC to approximate an arbitrary probability mass function, we provide bounds on the optimality gap attained by a VQC. Numerical tests on a quantum simulator investigate the effect of various parameters and corroborate that VQEC can generate high-quality solutions.
Variational quantum approaches have shown great promise in finding near-optimal solutions to computationally challenging tasks. Nonetheless, enforcing constraints in a disciplined fashion has been largely unexplored. To address this gap, this work proposes a hybrid quantum-classical algorithmic paradigm termed VQEC that extends the celebrated VQE to handle optimization with constraints. As with the standard VQE, the vector of optimization variables is captured by the state of a variational quantum circuit (VQC). To deal with constraints, VQEC optimizes a Lagrangian function classically over both the VQC parameters as well as the dual variables associated with constraints. To comply with the quantum setup, variables are updated via a perturbed primal-dual method leveraging the parameter shift rule. Among a wide gamut of potential applications, we showcase how VQEC can approximately solve quadratically-constrained binary optimization (QCBO) problems, find stochastic binary policies satisfying quadratic constraints on the average and in probability, and solve large-scale linear programs (LP) over the probability simplex. Under an assumption on the error for the VQC to approximate an arbitrary probability mass function (PMF), we provide bounds on the optimality gap attained by a VQC. Numerical tests on a quantum simulator investigate the effect of various parameters and corroborate that VQEC can generate high-quality solutions.
Analytical and practical evidence indicates the advantage of quantum computing solutions over classical alternatives. Quantum-based heuristics relying on the variational quantum eigensolver (VQE) and the quantum approximate optimization algorithm (QAOA) have been shown numerically to generate high-quality solutions to hard combinatorial problems, yet incorporating constraints to such problems has been elusive. To this end, this work puts forth a quantum heuristic to cope with stochastic binary quadratically constrained quadratic programs (QCQP). Identifying the strength of quantum circuits to efficiently generate samples from probability distributions that are otherwise hard to sample from, the variational quantum circuit is trained to generate binaryvalued vectors to approximately solve the aforesaid stochastic program. The method builds upon dual decomposition and entails solving a sequence of judiciously modified standard VQE tasks. Tests on several synthetic problem instances using a quantum simulator corroborate the near-optimality and feasibility of the method, and its potential to generate feasible solutions for the deterministic QCQP too.
The variational quantum eigensolver (VQE) is a hybrid quantum-classical variational algorithm that produces an upper-bound estimate of the ground-state energy of a Hamiltonian. As quantum computers become more powerful and go beyond the reach of classical brute-force simulation, it is important to assess the quality of solutions produced by them. Here we propose a dual variational quantum eigensolver (dual-VQE) that produces a lower-bound estimate of the ground-state energy. As such, VQE and dual-VQE can serve as quality checks on their solutions; in the ideal case, the VQE upper bound and the dual-VQE lower bound form an interval containing the true optimal value of the ground-state energy. The idea behind dual-VQE is to employ semidefinite programming duality to rewrite the ground-state optimization problem as a constrained maximization problem, which itself can be bounded from below by an unconstrained optimization problem to be solved by a variational quantum algorithm. When using a convex combination ansatz in conjunction with a classical generative model, the quantum computational resources needed to evaluate the objective function of dual-VQE are no greater than those needed for that of VQE. We also show that the problem is well suited for classical pretraining using matrix product states and these methods help warm-start the optimization. We simulated the performance of dual-VQE on the transverse-field Ising model with and without pretraining and found that, for the example considered, while dual-VQE training is slower and noisier than VQE, it approaches the true value with an error of order 10−210^{-2}10−2.
Variational Quantum Algorithms (VQAs) provide a promising framework for tackling complex optimization problems on near-term quantum hardware. Here, we demonstrate that hybrid qubit-qumode quantum devices offer an efficient route to solving Quadratic Unconstrained Binary Optimization (QUBO) problems using the Echoed Conditional Displacement Variational Quantum Eigensolver (ECD-VQE). Leveraging circuit quantum electrodynamics (cQED) architectures, we encode QUBO instances across multiple qumodes weakly coupled to a single qubit and extract binary solutions directly from photon-number measurements. We apply ECD-VQE to the Binary Knapsack Problem and show that it outperforms the Quantum Approximate Optimization Algorithm (QAOA) implemented on conventional qubit circuits, achieving higher-quality solutions with dramatically fewer resources. We also demonstrate that ECD-VQE can be extended to chemically motivated tasks such as active-space selection for multireference electronic structure methods. These results highlight the utility of hybrid qubit-qumode platforms for a broad class of NP-hard and chemistry-related optimization problems and demonstrate that variational ECD ansatz can realize expressive state preparation with significantly shallower circuits than qubit-only architectures, positioning qubit-qumode gates as compelling candidates for constrained optimization in early fault-tolerant quantum computing.
While quantum computers are a very promising tool for the far future, in their current state of the art they remain limited both in size and quality. This has given rise to hybrid quantum-classical algorithms, where the quantum device performs only a small but vital part of the overall computation. Among these, variational quantum algorithms (VQAs), which combine a classical optimization procedure with quantum evaluation of a cost function, have emerged as particularly promising. However, barren plateaus and ill-conditioned optimization landscapes remain among the primary obstacles faced by VQAs, often leading to unstable convergence and high sensitivity to initialization. Motivated by this challenge, we investigate whether a purely classical remedy, standard L2 squared-norm regularization, can systematically stabilize hybrid quantum-classical optimization. Specifically, we augment the Variational Quantum Eigensolver (VQE) objective with a quadratic penalty proportional to the squared norm of the parameters, without modifying the quantum circuit or measurement process. Across all tested Hamiltonians, H2, LiH, and the Random Field Ising Model (RFIM), we observe improved performance over a broad window of the regularization strength. Our large-scale numerical results demonstrate that classical regularization provides a robust, system-independent mechanism for mitigating VQE instability, enhancing the reliability and reproducibility of variational quantum optimization without altering the underlying quantum circuit.
This paper introduces the use of tailored variational forms for variational quantum eigensolver that have properties of representing certain constraints on the search domain of a linear constrained quadratic binary optimization problem solution. Four constraints that usually appear in several optimization problems are modeled. The main advantage of the proposed methodology is that the number of parameters on the variational form remain constant and depend on the number of variables that appear on the constraints. Moreover, this variational form always produces feasible solutions for the represented constraints differing from penalization techniques commonly used to translate constrained problems into unconstrained one. The methodology is implemented in a real quantum computer for two known optimization problems: the Facility Location Problem and the Set Packing Problem. The results obtained for this two problems with VQE using 2-Local variational form and a general QAOA implementation are compared, and indicate that less quantum gates and parameters were used, leading to a faster convergence.