Variational Quantum Eigensolvers (VQEs) have recently attracted considerable attention. Yet, in practice, they still suffer from the efforts for estimating cost function gradients for large parameter sets or resource-demanding reinforcement strategies. Here, we therefore consider recent advances in weight-agnostic learning and propose a strategy that addresses the trade-off between finding appropriate circuit architectures and parameter tuning. We investigate the use of NEAT-inspired algorithms which evaluate circuits via genetic competition and thus circumvent issues due to exceeding numbers of parameters. Our methods are tested both via simulation and on real quantum hardware and are used to solve the transverse Ising Hamiltonian and the Sherrington-Kirkpatrick spin model.
Variational Quantum Eigensolvers (VQEs) have recently attracted considerable attention. Yet, in practice, they still suffer from the efforts for estimating cost function gradients for large parameter sets or resource-demanding reinforcement strategies. Here, we therefore consider recent advances in weight-agnostic learning and propose a strategy that addresses the trade-off between finding appropriate circuit architectures and parameter tuning. We investigate the use of NEAT-inspired algorithms which evaluate circuits via genetic competition and thus circumvent issues due to exceeding numbers of parameters. Our methods are tested both via simulation and on real quantum hardware and are used to solve the transverse Ising Hamiltonian and the Sherrington-Kirkpatrick spin model.
Variational quantum circuits build the foundation for various classes of quantum algorithms. In a nutshell, the weights of a parametrized quantum circuit are varied until the empirical sampling distribution of the circuit is sufficiently close to a desired outcome. Numerical first-order methods are applied frequently to fit the parameters of the circuit, but most of the time, the circuit itself, that is, the actual composition of gates, is fixed. Methods for optimizing the circuit design jointly with the weights have been proposed, but empirical results are rather scarce. Here, we consider a simple evolutionary strategy that addresses the trade-off between finding appropriate circuit ar-chitectures and parameter tuning. We evaluate our method both via simulation and on actual quantum hardware. Our benchmark problems include the transverse field Ising Hamiltonian and the Sherrington-Kirkpatrick spin model. Despite the shortcomings of current noisy intermediate-scale quantum hardware, we find only a minor slowdown on actual quantum machines compared to simulations. Moreover, we investigate which mutation operations most significantly contribute to the optimization. The results provide intuition on how randomized search heuristics behave on actual quantum hardware and layout a path for further refinement of evolutionary quantum gate circuits.
We present a collection of optimizers tuned for usage on Noisy Intermediate-Scale Quantum (NISQ) devices. Optimizers have a range of applications in quantum computing, including the Variational Quantum Eigensolver (VQE) and Quantum Approximate Optimization (QAOA) algorithms. They are also used for calibration tasks, hyperparameter tuning, in machine learning, etc. We analyze the efficiency and effectiveness of different optimizers in a VQE case study. VQE is a hybrid algorithm, with a classical minimizer step driving the next evaluation on the quantum processor. While most results to date concentrated on tuning the quantum VQE circuit, we show that, in the presence of quantum noise, the classical minimizer step needs to be carefully chosen to obtain correct results. We explore state-of-the-art gradient-free optimizers capable of handling noisy, black-box, cost functions and stress-test them using a quantum circuit simulation environment with noise injection capabilities on individual gates. Our results indicate that specifically tuned optimizers are crucial to obtaining valid science results on NISQ hardware, and will likely remain necessary even for future fault tolerant circuits.
Quantum Machine Learning (QML) is a recent and rapidly evolving field where the theoretical framework and logic of quantum mechanics are employed to solve machine learning tasks. Various techniques with different levels of quantum-classical hybridization have been proposed. Here we focus on variational quantum circuits (VQC), which emerged as the most promising candidates for the quantum counterpart of neural networks in the noisy intermediate-scale quantum (NISQ) era. Although showing promising results, VQCs can be hard to train because of different issues, e.g., barren plateau, periodicity of the weights, or choice of architecture. This paper focuses on this last problem for finding optimal architectures of variational quantum circuits for various tasks. To address it, we propose a gradient-free algorithm inspired by natural evolution to optimize both the weights and the architecture of the VQC. In particular, we present a version of the well-known neuroevolution of augmenting topologies (NEAT) algorithm and adapt it to the case of variational quantum circuits. We refer to the proposed architecture search algorithm for VQC as QNEAT. We test the algorithm with different benchmark problems of classical fields of machine learning i.e. reinforcement learning and combinatorial optimization.
The advent of Noisy Intermediate-Scale Quantum (NISQ) devices provides crucial promise for the development of quantum algorithms. Variational quantum algorithms have emerged as one of the best hopes to utilize NISQ devices. Among these is the famous Variational Quantum Eigensolver (VQE), where one trains a parameterized and fixed quantum circuit (or an ansatz) to accomplish the task. However, VQE also suffers from some serious challenges, which are training difficulty and accuracy reduction due to deep quantum circuit and hardware noise. To be motivated by these issues, we propose a runtime and resource efficient scheme, monto-carlo tree (MCT) search based quantum circuit architecture optimization, where the ansatz is built in the variable form. Our approach first models the search space with a MCT and regards it as a supernet, where we make use of layers dependence to reduce the size of the search space . Second, a two-stage scheme is proposed for the search space training where weight sharing and warm-up strategies are employed to avoid huge computation cost. Training results are stored in nodes of the MCT for future decisions and a hierarchical node selection is presented to obtain an optimal ansatz. As a proof of principle, we carry out a series of numerical experiments for condensed matter and quantum chemistry in the quantum simulator with and without noise. Consequently, our scheme can be efficient to mitigate trainability and accuracy issues by minimizing the ansatz depth and the number of entanglement gates.
Variational quantum algorithms have promising applications in noisy intermediate-scale quantum (NISQ) devices. These algorithms rely on a classical optimization outer loop that minimizes a parameterized quantum circuit function. The optimization in variational quantum eigensolver (VQE) is NP-hard, meaning that finding the optimal solution is infeasible in the worst-case scenario. One way to address this challenge is through parallel optimization of parameters using multiple-parameterized quantum circuits. However, this approach is unsuitable for cloud-based quantum processing unit utilization due to the increased number of quantum circuit executions. Although NISQ devices have limitations in terms of gate depth, their size has been growing in recent years. Therefore, implementing multiple-parameterized quantum circuits in NISQ devices can suppress the increase in the number of executions. In this study, we propose a parallel-VQE, which leverages the parallel execution of parameterized quantum circuits to perform parallel parameter optimization in VQE, achieving convergence to solutions closer to the ground state. We validate the effectiveness of parallel-VQE in solving the random weighted max-cut problem using numerical simulations and a real quantum device. We present the results of running up to six circuits in parallel (120 qubits) and demonstrate the advantages of using multiple units to improve computational accuracy. This study provides a potential method for solving eigenvalue problems and combinatorial optimization problems for future quantum devices.
In recent years, Variational Quantum Algorithms (VQAs) have emerged as a promising approach for solving optimization problems on quantum computers in the NISQ era. However, one limitation of VQAs is their reliance on fixed-structure circuits, which may not be taylored for specific problems or hardware configurations. A leading strategy to address this issue are Adaptative VQAs, which dynamically modify the circuit structure by adding and removing gates, and optimize their parameters during the training. Several Adaptative VQAs, based on heuristics such as circuit shallowness, entanglement capability and hardware compatibility, have already been proposed in the literature, but there is still lack of a systematic comparison between the different methods. In this paper, we aim to fill this gap by analyzing three Adaptative VQAs: Evolutionary Variational Quantum Eigensolver (EVQE), Variable Ansatz (VAns), already proposed in the literature, and Random Adapt-VQE (RA-VQE), a random approach we introduce as a baseline. In order to compare these algorithms to traditional VQAs, we also include the Quantum Approximate Optimization Algorithm (QAOA) in our analysis. We apply these algorithms to QUBO problems and study their performance by examining the quality of the solutions found and the computational times required. Additionally, we investigate how the choice of the hyperparameters can impact the overall performance of the algorithms, highlighting the importance of selecting an appropriate methodology for hyperparameter tuning. Our analysis sets benchmarks for Adaptative VQAs designed for near-term quantum devices and provides valuable insights to guide future research in this area.