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Quantum Science and Technology

Sequential optimal selections of single-qubit gates in parameterized quantum circuits

Kaito Wada, Rudy Raymond, Yuki Sato, Hiroshi C Watanabe

Published Apr 30, 2024• 13 citations
Publisher

Abstract

Abstract In variational quantum algorithms, it is important to balance conflicting requirements of expressibility and trainability of a parameterized quantum circuit (PQC). However, appropriate PQC designs are not necessarily trivial. Here, we propose an algorithm for optimizing the PQC structure, where single-qubit gates are sequentially replaced by the optimal ones via diagonalization of a matrix whose elements are evaluated on slightly modified circuits. This replacement leads to a better approximation of target states with limited circuit depth. Furthermore, we clarify the existence of a barren plateau in the sequential optimization in terms of the spectrum concentration of the matrix, which defines the cost landscape with respect to changes in the target gate. Then, we rigorously show the concentration is no faster than polynomials in the number of qubits when an $n$-qubit PQC depth is $O(\log{n})$ using local observables. Finally, numerical experiments are provided to show the convergence of our method which is faster than gradient-based optimizers. Our results provide evidences for sequential optimizers as better alternatives to optimize PQCs on near-term quantum devices.

DOI
10.1088/2058-9565/ad4583

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Abstract In variational quantum algorithms, it is important to balance conflicting requirements of expressibility and trainability of a parameterized quantum circuit (PQC). However, appropriate PQC designs are not necessarily trivial. Here, we propose an algorithm for optimizing the PQC structure, where single-qubit gates are sequentially replaced by the optimal ones via diagonalization of a matrix whose elements are evaluated on slightly modified circuits. This replacement leads to a better approximation of target states with limited circuit depth. Furthermore, we clarify the existence of a barren plateau in the sequential optimization in terms of the spectrum concentration of the matrix, which defines the cost landscape with respect to changes in the target gate. Then, we rigorously show the concentration is no faster than polynomials in the number of qubits when an nnn-qubit PQC depth is O(log⁡n)O(\log{n})O(logn) using local observables. Finally, numerical experiments are provided to show the convergence of our method which is faster than gradient-based optimizers. Our results provide evidences for sequential optimizers as better alternatives to optimize PQCs on near-term quantum devices.
We propose an algorithm for variational quantum algorithms (VQAs) to optimize the structure of parameterized quantum circuits (PQCs) efficiently. The algorithm optimizes the PQC structure on-the-fly in VQA by sequentially replacing a single-qubit gate with the optimal one to minimize the objective function. To directly find the optimal gate, our method uses the factorization of matrices whose elements are evaluated on a set of the slightly-modified circuits. The matrix factorization enables us to not only unify the existing sequential methods for further extension but also provide rigorous proofs of their limitation and potential in comparison with conventional gradient-based optimizers. Firstly, when the circuits are sufficiently deep, the sequential methods encounter a barren plateau that the spectrum of the matrix concentrates on a single value exponentially fast with respect to the number of qubits. Secondly, if the objective functions are local observables, they can avoid barren plateaus as long as the depth of the n-qubit PQCs is O(log⁡n)O(\log{n})O(logn). Although the family of these optimizers does not directly employ gradients of the objective function, our results establish their connection with conventional optimizations providing a consistent picture of the barren plateau. We also perform numerical experiments showing the advantages over conventional VQAs and confirm the successful optimization getting over the barren plateau in the ground state problem of the mixed field Ising model up to 12 qubits.
The variational quantum eigensolver (VQE) is a hybrid algorithm to find the minimum eigenvalue/vector of the given Hamiltonian by optimizing a parameterized quantum circuit (PQC) using a classical computer. Sequential optimization methods, which are often used in quantum circuit tensor networks, are popular for optimizing the parameterized gates of PQCs. In this paper, we focus on the case where the components to be optimized are single-qubit gates, in which the analytic optimization of a single-qubit gate is sequentially performed. The analytical solution is given by diagonalization of a matrix whose elements are computed from the expectation values of observables specified by a set of predetermined parameters, which we refer to as the parameter configurations. In this paper, we first show that the optimization accuracy significantly depends on the choice of parameter configurations owing to the statistical errors in the expectation values. We then identify a metric that quantifies the optimization accuracy of a parameter configuration for all possible statistical errors, named configuration overhead/cost or C-cost. We theoretically provide the lower bound of C-cost and show that, for the minimum size of parameter configurations, the lower bound is achieved if and only if the parameter configuration satisfies the so-called equiangular line condition. Finally, we provide numerical experiments demonstrating that the optimal parameter configuration exhibits the best result in several VQE problems. We hope that this general statistical methodology will enhance the efficacy of sequential optimization of PQCs for solving practical problems with near-term quantum devices.
Abstract Noisy Intermediate-Scale Quantum (NISQ) devices are near-term quantum computing devices that inherently suffer from imperfect gate implementation, decoherence, and measurement noise. The main type of variational quantum algorithms(VQAs) is based on Parameterized Quantum Circuits (PQCs), which, however, face practical challenges due to optimization instability of optimization caused by noise and reduced performance. In this paper, we suggest a comprehensive noise-resilient optimization framework for PQCs, which explicitly incorporates noise-resilient circuit architecture design, incorporating noise-aware training strategies into the variational optimization loop. The framework uses circuit structures that are efficient in depth and are hardware compatible in addition to adaptive optimizer choice, stochastic optimization, and averaging as a part of repeated measurement to reduce the impacts of realistic noise. Large-scale experiments are performed with different amounts of qubits, depths of the circuit and noise strengths with realistic noise models. The findings indicate that the convergence rate is faster, the stability is increased, the variability of run-to-run variability is minimized, and other robustness is better than the noise-unaware optimization techniques. Moreover, systematic studies determine optimal operating regions that optimally trade-off expressibility and noise tolerance to offer useful design advice on trusted implementation of VQAs with near-term quantum hardware.
Parameterized quantum circuits (PQCs) play an essential role in the application of variational quantum algorithms (VQAs) in noisy intermediate-scale quantum (NISQ) devices. The PQCs are a leading candidate to achieve a quantum advantage in NISQ devices and have already been applied in various domains such as quantum chemistry, quantum machine learning, combinatorial optimization, and many others. There is no single definitive way to optimize PQCs. The most commonly used methods are based on computing the gradient via the parameter-shift rule to use classical gradient descent (GD) optimizers like Adam, stochastic GD, and others. In addition, sequential single-qubit optimizers have been proposed, such as Rotosolve, Free-Axis Selection (Fraxis), Free-Quaternion Selection (FQS), and hybrid algorithms from the aforementioned optimizers. We further develop hybrid algorithms than those represented in the previous work by drawing inspiration from the early stopping method used in classical machine learning. The switch between the optimizers depends on the previous cost function values compared to the previous ones. We introduce two new hybrid algorithms that are more robust and scalable, and they outperform previous hybrid methods in terms of convergence towards the global minima across various cost functions. In addition, we find that they are feasible for NISQ devices with different noise profiles.
Parameterized quantum circuits (PQCs) have been widely used as a machine learning model to explore the potential of achieving quantum advantages for various tasks. However, training PQCs is notoriously challenging owing to the phenomenon of plateaus and/or the existence of (exponentially) many spurious local minima. To enhance trainability, in this work we propose an efficient parameter initialization strategy with theoretical guarantees. We prove that, by reducing the initial domain of each parameter inversely proportional to the square root of the circuit depth, the magnitude of the cost gradient decays at most polynomially with respect to the qubit count and circuit depth. Our theoretical results are substantiated through numerical simulations of variational quantum eigensolver tasks. Moreover, we demonstrate that the reduced-domain initialization strategy can protect specific quantum neural networks from exponentially many spurious local minima. Our results highlight the significance of an appropriate parameter initialization strategy, offering insights to enhance the trainability and convergence of variational quantum algorithms.
We propose a sequential minimal optimization method for quantum-classical hybrid algorithms, which converges faster, robust against statistical error, and hyperparameter-free.Specifically, the optimization problem of the parameterized quantum circuits is divided into solvable subproblems by considering only a subset of the parameters.In fact, if we choose a single parameter, the cost function becomes a simple sine curve with period 2π , and hence we can exactly minimize with respect to the chosen parameter.Furthermore, even in general cases, the cost function is given by a simple sum of trigonometric functions with certain periods and hence can be minimized by using a classical computer.By repeatedly performing this procedure, we can optimize the parameterized quantum circuits so that the cost function becomes as small as possible.We perform numerical simulations and compare the proposed method with existing gradient-free and gradient-based optimization algorithms.We find that the proposed method substantially outperforms the existing optimization algorithms and converges to a solution almost independent of the initial choice of the parameters.This accelerates almost all quantum-classical hybrid algorithms readily and would be a key tool for harnessing near-term quantum devices.