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arXiv:2305.13594

Connecting the Hamiltonian structure to the QAOA energy and Fourier landscape structure

Michał Stęchły, Lanruo Gao, Boniface Yogendran, Fontana, Enrico, Rudolph, Manuel

Published May 23, 2023• 4 citations
arXivHTMLPDF

Abstract

In this paper, we aim to expand the understanding of the relationship between the composition of the Hamiltonian in the Quantum Approximate Optimization Algorithm (QAOA) and the corresponding cost landscape characteristics. QAOA is a prominent example of a Variational Quantum Algorithm (VQA), which is most commonly used for combinatorial optimization. The success of QAOA heavily relies on parameter optimization, which is a great challenge, especially on scarce noisy quantum hardware. Thus understanding the cost function landscape can aid in designing better optimization heuristics and therefore potentially provide eventual value. We consider the case of 1-layer QAOA for Hamiltonians with up to 5-local terms and up to 20 qubits. In addition to visualizing the cost landscapes, we calculate their Fourier transform to study the relationship with the structure of the Hamiltonians from a complementary perspective. Furthermore, we introduce metrics to quantify the roughness of the landscape, which provide valuable insights into the nature of high-dimensional parametrized landscapes. While these techniques allow us to elucidate the role of Hamiltonian structure, order of the terms and their coefficients on the roughness of the optimization landscape, we also find that predicting the intricate landscapes of VQAs from first principles is very challenging and unlikely to be feasible in general.

DOI
10.48550/arxiv.2305.13594

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In this paper, we aim to expand the understanding of the relationship between the composition of the Hamiltonian in the Quantum Approximate Optimization Algorithm (QAOA) and the corresponding cost landscape characteristics. QAOA is a prominent example of a Variational Quantum Algorithm (VQA), which is most commonly used for combinatorial optimization. The success of QAOA heavily relies on parameter optimization, which is a great challenge, especially on scarce noisy quantum hardware. Thus understanding the cost function landscape can aid in designing better optimization heuristics and therefore potentially provide eventual value. We consider the case of 1-layer QAOA for Hamiltonians with up to 5-local terms and up to 20 qubits. In addition to visualizing the cost landscapes, we calculate their Fourier transform to study the relationship with the structure of the Hamiltonians from a complementary perspective. Furthermore, we introduce metrics to quantify the roughness of the landscape, which provide valuable insights into the nature of high-dimensional parametrized landscapes. While these techniques allow us to elucidate the role of Hamiltonian structure, order of the terms and their coefficients on the roughness of the optimization landscape, we also find that predicting the intricate landscapes of VQAs from first principles is very challenging and unlikely to be feasible in general.
Variational quantum algorithms (VQAs) have demonstrated considerable potential in solving NP-hard combinatorial problems in the contemporary noisy intermediate-scale quantum (NISQ) era. The quantum approximate optimization algorithm (QAOA) is one such algorithm, used in solving the maximum cut (Max-Cut) problem for a given graph by successive implementation of L quantum circuit layers within a corresponding Trotterized ansatz. The challenge of exploring the cost function of VQAs arising from an exponential proliferation of local minima with increasing circuit depth has been well documented. However, fewer studies have investigated the impact of circuit depth on QAOA performance in finding the correct Max-Cut solution. Here we employ basin-hopping global optimization methods to navigate the energy landscapes for QAOA ansätze for various graphs, and analyze QAOA performance in finding the correct Max-Cut solution. The structure of the solution space is also investigated using discrete path sampling to build databases of local minima and the transition states that connect them, providing insightful visualizations using disconnectivity graphs. We find that the corresponding landscapes generally have a single funnel organization, which makes it relatively straightforward to locate low-lying minima with good Max-Cut solution probabilities. In some cases below the adiabatic limit the second lowest local minimum may even yield a higher solution probability than the global minimum. This important observation has motivated us to develop broader metrics in evaluating QAOA performance, based on collections of minima obtained from basin-hopping global optimization. Hence we establish expectation thresholds in elucidating useful solution probabilities from local minima, an approach that may provide significant gains in elucidating reasonable solution probabilities from local minima. Published by the American Physical Society 2024
Variational quantum algorithms (VQAs) have demonstrated considerable potential in solving NP-hard combinatorial problems in the contemporary near intermediate-scale quantum (NISQ) era. The quantum approximate optimisation algorithm (QAOA) is one such algorithm, used in solving the maximum cut (Max-Cut) problem for a given graph by successive implementation of LLL quantum circuit layers within a corresponding Trotterised ansatz. The challenge of exploring the cost function of VQAs arising from an exponential proliferation of local minima with increasing circuit depth has been well-documented. However, fewer studies have investigated the impact of circuit depth on QAOA performance in finding the correct Max-Cut solution. Here, we employ basin-hopping global optimisation methods to navigate the energy landscapes for QAOA ansätze for various graphs, and analyse QAOA performance in finding the correct Max-Cut solution. The structure of the solution space is also investigated using discrete path sampling to build databases of local minima and the transition states that connect them, providing insightful visualisations using disconnectivity graphs. We find that the corresponding landscapes generally have a single funnel organisation, which makes it relatively straightforward to locate low-lying minima with good Max-Cut solution probabilities. In some cases below the adiabatic limit the second lowest local minimum may even yield a higher solution probability than the global minimum. This important observation has motivated us to develop broader metrics in evaluating QAOA performance, based on collections of minima obtained from basin-hopping global optimisation. Hence we establish expectation thresholds in elucidating useful solution probabilities from local minima, an approach that may provide significant gains in elucidating reasonable solution probabilities from local minima.
The classical homotopy optimization approach has the potential to deal with highly nonlinear landscapes, such as the energy landscape of quantum approximate optimization algorithm (QAOA) problems. Following this motivation, we introduce Hamiltonian-oriented homotopy QAOA (HOHo-QAOA), a heuristic method for combinatorial optimization using QAOA, based on classical homotopy optimization. The method consists of a homotopy map that produces an optimization problem for each value of the interpolating parameter. Therefore, HOHo-QAOA decomposes the optimization of QAOA into several loops, each using a mixture of the mixer and the objective Hamiltonian for cost function evaluation. Furthermore, we conclude that the HOHo-QAOA improves the search for low-energy states in the nonlinear energy landscape and outperforms other variants of QAOA.
The Quantum Approximate Optimization Algorithm (QAOA) is a promising variational quantum algorithm introduced to tackle classically intractable combinatorial optimization problems. This tutorial offers a comprehensive, first-principles introduction to QAOA and its properties, focusing on its application to Quadratic and Polynomial Unconstrained Binary Optimization (QUBO and PUBO) problems. The tutorial begins by outlining variational quantum circuits and QUBO problems, focusing on their key properties and the encoding of problem constraints through quadratic penalty terms. Next, it explores the QAOA in detail, covering its Hamiltonian formulation, gate decomposition, and example applications, along with their implementation and performance results. This is followed by an analysis of the algorithm's energy landscape, where proofs are provided for its symmetry and periodicity, and where a resulting parameter space reduction is proposed. Finally, the tutorial extends these concepts to PUBO problems by generalizing the results to higher-order Hamiltonians and discussing the associated symmetries and circuit construction.
Abstract We report on the energy-expectation-value landscapes produced by the single-layer ( p = 1) quantum approximate optimization algorithm ( QAOA ) when being used to solve Ising problems. The landscapes are obtained using an analytical formula that we derive. The formula allows us to predict the landscape for any given Ising problem instance and consequently predict the optimal QAOA parameters for heuristically solving that instance using the single-layer QAOA . We have validated our analytical formula by showing that it accurately reproduces the landscapes published in recent experimental reports. We then applied our methods to address the question: how well is the single-layer QAOA able to solve large benchmark problem instances? We used our analytical formula to calculate the optimal energy-expectation values for benchmark M AX -C UT problems containing up to 7000 vertices and 41 459 edges. We also calculated the optimal energy expectations for general Ising problems with up to 100 000 vertices and 150 000 edges. Our results provide an estimate for how well the single-layer QAOA may work when run on a quantum computer with thousands of qubits. In addition to providing performance estimates when optimal angles are used, we are able to use our analytical results to investigate the difficulties one may encounter when running the QAOA in practice for different classes of Ising instances. We find that depending on the parameters of the Ising Hamiltonian, the expectation-value landscapes can be rather complex, with sharp features that necessitate highly accurate rotation gates in order for the QAOA to be run optimally on quantum hardware. We also present analytical results that explain some of the qualitative landscape features that are observed numerically.
The main object of study of this work is the Quantum Approximate Optimization Algorithm (QAOA) —the best-known heuristic quantum algorithm for addressing combinatorial optimization problems. Despite its popularity, QAOA poses major challenges. Namely, its performance remains poorly understood, especially in the low depth regime most relevant to near-term quantum computing. Besides, the algorithm is of variational nature, relying on several hyperparameters to be classically trained. In this work, we contribute to addressing these issues by developing techniques to understand the performance of QAOA at low depth, and deducing from these pretrained hyperparameters, thereby eliminating or considerably reducing the need for a classical optimization loop. We first consider applying QAOA to constraint satisfaction problems with the goal of maximizing the algorithm’s approximation ratio (fraction of satisfied constraints). As a particular example, we consider QAOA applied to MAXCUT on non-regular graphs, showing how analytic techniques provide good guess hyperparameters in this setting. Next, we analyze the performance of QAOA on a well-studied constraint satisfaction problem: random k-SAT. In this case, the performance is measured by the probability of finding an assignment satisfying all constraints (“success probability”). To estimate this quantity, we develop new techniques, mapping quantum expectation values of the QAOA circuits to classical spin models. We further show how these techniques can be generalized to a larger family of random constraint satisfaction problems. We conclude the work by two feasibility studies inspired by real-world use cases encountered in collaborations with industrial partners: peptide sampling, and solving flow problems. These problems are naturally phrased by encoding combinatorial variables in qudits, a relatively unexplored setting in the existing literature. We present partial analytic and numerical results for optimal QAOA hyperparameters and the scaling of its success probability in this framework, underlining potential specific difficulties when using QAOA with qudits.