Classical Optimizers for Noisy Intermediate-Scale Quantum Devices

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

Ability of Black-Box Optimisation to Efficiently Perform Simulation Studies in Power Engineering

In this study, the potential of the so-called black-box optimisation (BBO) to increase the efficiency of simulation studies in power engineering is evaluated. Three algorithms ("Multilevel Coordinate Search"(MCS) and "Stable Noisy Optimization by Branch and Fit"(SNOBFIT) by Huyer and Neumaier and "blackbox: A Procedure for Parallel Optimization of Expensive Black-box Functions"(blackbox) by Knysh and Korkolis) are implemented in MATLAB and compared for solving two use cases: the analysis of the maximum rotational speed of a gas turbine after a load rejection and the identification of transfer function parameters by measurements. The first use case has a high computational cost, whereas the second use case is computationally cheap. For each run of the algorithms, the accuracy of the found solution and the number of simulations or function evaluations needed to determine the optimum and the overall runtime are used to identify the potential of the algorithms in comparison to currently used methods. All methods provide solutions for potential optima that are at least 99.8% accurate compared to the reference methods. The number of evaluations of the objective functions differs significantly but cannot be directly compared as only the SNOBFIT algorithm does stop when the found solution does not improve further, whereas the other algorithms use a predefined number of function evaluations. Therefore, SNOBFIT has the shortest runtime for both examples. For computationally expensive simulations, it is shown that parallelisation of the function evaluations (SNOBFIT and blackbox) and quantisation of the input variables (SNOBFIT) are essential for the algorithmic performance. For the gas turbine overspeed analysis, only SNOBFIT can compete with the reference procedure concerning the runtime. Further studies will have to investigate whether the quantisation of input variables can be applied to other algorithms and whether the BBO algorithms can outperform the reference methods for problems with a higher dimensionality

Global optimization for accurate determination of EBSD pattern centers

Accurate pattern center determination has long been a challenge for the electron backscatter diffraction (EBSD) community and is becoming critically accuracy-limiting for more recent advanced EBSD techniques. Here, we study the parameter landscape over which a pattern center must be fitted in quantitative detail and reveal that it is both sloppy and noisy, which limits the accuracy to which pattern centers can be determined. To locate the global optimum in this challenging landscape, we propose a combination of two approaches: the use of a global search algorithm and averaging the results from multiple patterns. We demonstrate the ability to accurately determine pattern centers of simulated patterns, inclusive of effects of binning and noise on the error of the fitted pattern center. We also demonstrate the ability of this method to accurately detect changes in pattern center in an experimental dataset with noisy and highly binned patterns. Source code for our pattern center fitting algorithm is available online

Evaluating Optimization Solvers and Robust Semantics for Simulation-Based Falsification

Temporal-logic based falsification of Cyber-Physical Systems is a testing technique used to verify certain behaviours in simulation models, however the problem statement typically requires some model-specific tuning of parameters to achieve optimal results. In this experience report, we investigate how different optimization solvers and objective functions affect the falsification outcome for a benchmark set of models and specifications. With data from the four different solvers and three different objective functions for the falsification problem, we see that choice of solver and objective function depends both on the model and the specification that are to be falsified. We also note that using a robust semantics of Signal Temporal Logic typically increases falsification performance compared to using Boolean semantics

Classical Optimizers for Noisy Intermediate-Scale Quantum Devices

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.Comment: 11 pages, 17 figure

Enhancing Temporal Logic Falsification of Cyber-Physical Systems using multiple objective functions and a new optimization method

Cyber-physical systems (CPSs) are engineering systems that bridge the cyber-world of communications and computing with the physical world. These systems are usually safety-critical and exhibit both discrete and continuous dynamics that may have complex behavior. Typically, these systems have to satisfy given specifications, i.e., properties that define the valid behavior. One commonly used approach to evaluate the correctness of CPSs is testing. The main aim of testing is to detect if there are situations that may falsify the specifications.\ua0For many industrial applications, it is only possible to simulate the system under test because mathematical models do not exist, thus formal verification is not a viable option. Falsification is a strategy that can be used for testing CPSs as long as the system can be simulated and formal specifications exist. Falsification attempts to find counterexamples, in the form of input signals and parameters, that violate the specifications of the system. Random search or optimization can be used for the falsification process. In the case of an optimization-based approach, a quantitative semantics is needed to associate a simulation with a measure of the distance to a specification being falsified. This measure is used to guide the search in a direction that is more likely to falsify a specification, if possible. \ua0The measure can be defined in different ways. In this thesis, we evaluate different quantitative semantics that can be used to define this measure. The efficiency of the falsification can be affected by both the quantitative semantics used and the choice of the optimization method. The presented work attempts to improve the efficiency of the falsification process by suggesting to use multiple quantitative semantics, as well as a new optimization method. The use of different quantitative semantics and the new optimization method have been evaluated on standard benchmark problems. We show that the proposed methods improve the efficiency of the falsification process

Escaping local minima with derivative-free methods: a numerical investigation

We apply a state-of-the-art, local derivative-free solver, Py-BOBYQA, to global optimization problems, and propose an algorithmic improvement that is beneficial in this context. Our numerical findings are illustrated on a commonly-used but small-scale test set of global optimization problems and associated noisy variants, and on hyperparameter tuning for the machine learning test set MNIST. As Py-BOBYQA is a model-based trust-region method, we compare mostly (but not exclusively) with other global optimization methods for which (global) models are important, such as Bayesian optimization and response surface methods; we also consider state-of-the-art representative deterministic and stochastic codes, such as DIRECT and CMA-ES. As a heuristic for escaping local minima, we find numerically that Py-BOBYQA is competitive with global optimization solvers for all accuracy/budget regimes, in both smooth and noisy settings. In particular, Py-BOBYQA variants are best performing for smooth and multiplicative noise problems in high-accuracy regimes. As a by-product, some preliminary conclusions can be drawn on the relative performance of the global solvers we have tested with default settings