Benchmarking Variational Quantum Algorithms for Combinatorial Optimization in Practice
Humboldt-Universität zu Berlin（柏林洪堡大学）；Deutsches Elektronen-Synchrotron DESY（德国电子同步加速器）；Northeastern University - London（东北大学伦敦分校）；Khoury College of Computer Sciences, Northeastern University（东北大学科里计算机学院）；Computation-Based Science and Technology Research Center, The Cyprus Institute（塞浦路斯研究所计算科学与技术研究中心）
Tim Schwägerl, Yahui Chai, Tobias Hartung, Karl Jansen, Stefan Kühn
Variational quantum algorithms and, in particular, variants of the varational quantum eigensolver have been proposed to address combinatorial optimization (CO) problems. Using only shallow ansatz circuits, these approaches are deemed suitable for current noisy intermediate-scale quantum hardware. However, the resources required for training shallow variational quantum circuits often scale superpolynomially in problem size. In this study we numerically investigate what this scaling result means in practice for solving CO problems using Max-Cut as a benchmark. For fixed resources, we compare the average performance of training a shallow variational quantum circuit, sampling with replacement, and a greedy algorithm starting from the same initial point as the quantum algorithm. We identify a minimum problem size for which the quantum algorithm can consistently outperform sampling and, for each problem size, characterize the separation between the quantum algorithm and the greedy algorithm. Furthermore, we extend the average case analysis by investigating the correlation between the performance of the algorithms by instance. Our results provide a step towards meaningful benchmarks of variational quantum algorithms for CO problems for a realistic set of resources.
The Variational Quantum Eigensolver (VQE) is a promising algorithm for Noisy Intermediate Scale Quantum (NISQ) computation. Verification and validation of NISQ algorithms' performance on NISQ devices is an important task. We consider the exactly-diagonalizable Lipkin-Meshkov-Glick (LMG) model as a candidate for benchmarking NISQ computers. We use the Bethe ansatz to construct eigenstates of the trigonometric LMG model using quantum circuits inspired by the LMG's underlying algebraic structure. We construct circuits with depth $\mathcal{O}(N)$ and $\mathcal{O}(\log_2N)$ that can prepare any tri…
Quantum chemistry is one of the most promising applications of quantum computers in the near future. For noisy intermediate-scale quantum devices, the quantum-classical hybrid framework based on the variational quantum eigensolver (VQE) has become the method of choice. In the literature, there are many different variants of VQE, but it is not known which one is optimal for a given molecule. For this purpose, we perform a thorough benchmarking on more than ten different kinds of VQE ansatzes (in systems up to 30 qubits), based on their performance on the energy accuracy, runtime until convergen…
Variational quantum algorithms are considered to be appealing applications of near-term quantum computers. However, it has been unclear whether they can outperform classical algorithms or not. To reveal their limitations, we must seek a technique to benchmark them on large scale problems. Here, we propose a perturbative approach for efficient benchmarking of variational quantum algorithms. The proposed technique performs perturbative expansion of a circuit consisting of Clifford and Pauli rotation gates, which is enabled by exploiting the classical simulatability of Clifford circuits. Our meth…
We use the Variational Quantum Eigensolver (VQE) as implemented in the Qiskit software package to compute the ground state energy of small molecules derived from water, H$_2$O, and hydrogen cyanide, HCN. The work aims to benchmark algorithms for calculating the electronic structure and energy surfaces of molecules of relevance to prebiotic chemistry, beginning with water and hydrogen cyanide, and to run them on the available simulated and physical quantum hardware. The numerical calculations of the algorithms for small quantum processors allow us to design more efficient protocols to be run in…
Current gate-based quantum computers have the potential to provide a computational advantage if algorithms use quantum hardware efficiently. To make combinatorial optimization more efficient, we introduce the Filtering Variational Quantum Eigensolver (F-VQE) which utilizes filtering operators to achieve faster and more reliable convergence to the optimal solution. Additionally we explore the use of causal cones to reduce the number of qubits required on a quantum computer. Using random weighted MaxCut problems, we numerically analyze our methods and show that they perform better than the origi…
Statistical Benchmarking of Optimization Methods for Variational Quantum Eigensolver under Quantum Noise
IT4Innovations National Supercomputing Center, VSB - Technical University of Ostrava（IT4Innovations国家超级计算中心，俄斯特拉发理工大学）；Gran Sasso Science Institute（格兰萨索科学研究所）；Technical University of Munich（慕尼黑工业大学）；VSB-Technical University of Ostrava（俄斯特拉发理工大学）；Marine Research Institute, Klaipeda University（克莱佩达大学海洋研究所）；Université Montpellier, CNRS, ENSCM（蒙彼利埃大学，法国国家科学研究中心，国立高等化学学院）；Università dell’Aquila（阿奎拉大学）
The power method (or iteration) is a well-known classical technique that can be used to find the dominant eigenpair of a matrix. Here, we present a variational quantum circuit method for the power iteration, which can be used to find the eigenpairs of unitary matrices and so their associated Hamiltonians. We discuss how to apply the circuit to combinatorial optimization problems formulated as a quadratic unconstrained binary optimization and discuss its complexity. In addition, we run numerical simulations for random problem instances with up to 21 parameters and observe that the method can ge…
The rapid progress of noisy intermediate-scale quantum (NISQ) computing underscores the need to test and evaluate new devices and applications. Quantum chemistry is a key application area for these devices, and therefore serves as an important benchmark for current and future quantum computer performance. Previous benchmarks in this field have focused on variational methods for computing ground and excited states of various molecules, including a benchmarking suite focused on performance of computing ground states for alkali-hydrides under an array of error mitigation methods. Here, we outline…
The variational reduced density matrix theory has been recently applied with great success to models within the truncated doubly-occupied configuration interaction space, which corresponds to the seniority zero subspace. Conservation of the seniority quantum number restricts the Hamiltonians to be based on the SU(2) algebra. Among them there is a whole family of exactly solvable Richardson-Gaudin pairing Hamiltonians. We benchmark the variational theory against two different exactly solvable models, the Richardson-Gaudin-Kitaev and the reduced BCS Hamiltonians. We obtain exact numerical result…
Quantum processors promise a paradigm shift in high-performance computing which needs to be assessed by accurate benchmarking measures. In this work, we introduce a new benchmark for variational quantum algorithm (VQA), recently proposed as a heuristic algorithm for small-scale quantum processors. In VQA, a classical optimization algorithm guides the quantum dynamics of the processor to yield the best solution for a given problem. A complete assessment of scalability and competitiveness of VQA should take into account both the quality and the time of dynamics optimization. The method of optima…
By design, the variational quantum eigensolver (VQE) strives to recover the lowest-energy eigenvalue of a given Hamiltonian by preparing quantum states guided by the variational principle. In practice, the prepared quantum state is indirectly assessed by the value of the associated energy. Novel adaptive derivative-assembled pseudo-trotter (ADAPT) ansatz approaches and recent formal advances now establish a clear connection between the theory of quantum chemistry and the quantum state ansatz used to solve the electronic structure problem. Here we benchmark the accuracy of VQE and ADAPT-VQE to …
Proposed hybrid algorithms encode a combinatorial cost function into a problem Hamiltonian and optimize its energy by varying over a set of states with low circuit complexity. Classical processing is typically only used for the choice of variational parameters following gradient descent. As a consequence, these approaches are limited by the descriptive power of the associated states. We argue that for certain combinatorial optimization problems, such algorithms can be hybridized further, thus harnessing the power of efficient non-local classical processing. Specifically, we consider combining …
The Quest for Quantum Advantage in Combinatorial Optimization: End-to-end Benchmarking of Quantum Solvers vs. Multi-core Classical Solvers
Kipu Quantum GmbH（基普量子有限公司）；Department of Physical Chemistry, University of the Basque Country UPV/EHU（巴斯克大学物理化学系）；Zuse Institute Berlin（柏林祖斯研究所）；Technische Universität Berlin（柏林工业大学）；IBM Quantum, IBM Research Europe – Zurich（IBM量子，IBM欧洲苏黎世研究院）；IDAL, Electronic Engineering Department, ETSE-UV, University of Valencia（瓦伦西亚大学电子工程学院IDAL）
Over the past decade, the usefulness of quantum annealing hardware for combinatorial optimization has been the subject of much debate. Thus far, experimental benchmarking studies have indicated that quantum annealing hardware does not provide an irrefutable performance gain over state-of-the-art optimization methods. However, as this hardware continues to evolve, each new iteration brings improved performance and warrants further benchmarking. To that end, this work conducts an optimization performance assessment of D-Wave Systems' most recent Advantage Performance Update computer, which can n…
Compact representations of fermionic Hamiltonians are necessary to perform calculations on quantum computers that lack error-correction. A fermionic system is typically defined within a subspace of fixed particle number and spin while unnecessary states are projected out of the Hilbert space. We provide a bijective mapping using combinatoric ranking to bijectively map fermion basis states to qubit basis states and express operators in the standard spin representation. We then evaluate compact mapping using the Variational Quantum Eigensolver (VQE) with the unitary coupled cluster singles and d…
Sub-universal variational circuits for combinatorial optimization problems
Department of Physics, University of Colorado Boulder, Boulder, CO 80309, USA（科罗拉多大学博尔德分校物理系）；University of Technology Sydney, Centre for Quantum Software（悉尼技术大学量子软件中心）；Department of Electrical, Computer and Energy Engineering, University of Colorado Boulder, Boulder, Colorado 80309, USA（科罗拉多大学博尔德分校电气、计算机与能源工程系）
The recent literature on near-term applications for quantum computers contains several examples of the applications of hybrid quantum/classical variational approaches. This methodology can be applied to a variety of optimization problems, but its practical performance is not well studied yet. This paper moves some steps in the direction of characterizing the practical performance of the methodology, in the context of finding solutions to classical combinatorial optimization problems. Our study is based on numerical results obtained applying several classical nonlinear optimization algorithms t…
Quantum annealing solves combinatorial optimization problems by finding the energetic ground states of an embedded Hamiltonian. However, quantum annealing dynamics under the embedded Hamiltonian may violate the principles of adiabatic evolution and generate excitations that correspond to errors in the computed solution. Here we empirically benchmark the probability of chain breaks and identify sweet spots for solving a suite of embedded Hamiltonians. We further correlate the physical location of chain breaks in the quantum annealing hardware with the underlying embedding technique and use thes…
We lay the foundation for a benchmarking methodology for assessing current and future quantum computers. We pose and begin addressing fundamental questions about how to fairly compare computational devices at vastly different stages of technological maturity. We critically evaluate and offer our own contributions to current quantum benchmarking efforts, in particular those involving adiabatic quantum computation and the Adiabatic Quantum Optimizers produced by D-Wave Systems, Inc. We find that the performance of D-Wave's Adiabatic Quantum Optimizers scales roughly on par with classical approac…
Imaginary Hamiltonian variational ansatz for combinatorial optimization problems
Peking University（北京大学）；Collaborative Innovation Center of Quantum Matter（量子物质协同创新中心）；Center for High Energy Physics, Peking University（北京大学高能物理中心）；Interdisciplinary Theoretical and Mathematical Sciences Program (iTHEMS), RIKEN（理化学研究所跨学科理论与数学科学项目（iTHEMS））；Deutsches Elektronen-Synchrotron DESY（德国电子同步加速器）；Computation-Based Science and Technology Research Center, The Cyprus Institute（塞浦路斯研究所计算科学与技术研究中心）；Institut für Physik, Humboldt-Universität zu Berlin（柏林洪堡大学物理研究所）
Variational Quantum Algorithm for Constrained Combinatorial Optimization Problems
College of Science, North China Institute of Science and Technology（华北科技学院理学院）；School of Mathematical Sciences, Capital Normal University（首都师范大学数学科学学院）
Combinatorial optimization on near-term quantum devices is a promising path to demonstrating quantum advantage. However, the capabilities of these devices are constrained by high noise or error rates. In this paper, we propose an iterative Layer VQE (L-VQE) approach, inspired by the Variational Quantum Eigensolver (VQE). We present a large-scale numerical study, simulating circuits with up to 40 qubits and 352 parameters, that demonstrates the potential of the proposed approach. We evaluate quantum optimization heuristics on the problem of detecting multiple communities in networks, for which …
Existing protocols for benchmarking current quantum co-processors fail to meet the usual standards for assessing the performance of High-Performance-Computing platforms. After a synthetic review of these protocols -- whether at the gate, circuit or application level -- we introduce a new benchmark, dubbed Atos Q-score (TM), that is application-centric, hardware-agnostic and scalable to quantum advantage processor sizes and beyond. The Q-score measures the maximum number of qubits that can be used effectively to solve the MaxCut combinatorial optimization problem with the Quantum Approximate Op…
Variational quantum algorithms for permutation-based combinatorial problems: Optimal ansatz generation with applications to quadratic assignment problems and beyond
Institut Polytechnique de Paris（巴黎理工学院）；ENSTA（国立高等先进技术学院）；UMA（应用数学实验室）；Conservatoire National des Arts et Métiers（国立工艺博物馆）；CEDRIC（计算机科学与数字系统研究中心）；École Nationale Supérieure d’Informatique pour l’Industrie et l’Entreprise（工业与企业高级信息学院）
Hybrid quantum/classical variational algorithms can be implemented on noisy intermediate-scale quantum computers and can be used to find solutions for combinatorial optimization problems. Approaches discussed in the literature minimize the expectation of the problem Hamiltonian for a parameterized trial quantum state. The expectation is estimated as the sample mean of a set of measurement outcomes, while the parameters of the trial state are optimized classically. This procedure is fully justified for quantum mechanical observables such as molecular energies. In the case of classical optimizat…
On neutral atom platforms, preparing specific quantum states is usually achieved by pulse shaping, i.e., by optimizing the time-dependence of the Hamiltonian related to the system. This process can be extremely costly, as it requires sampling of the final state in the quantum processor many times. Hence, determining a good pulse, as well as a good embedding, to solve specific combinatorial graph problems is one of the most important bottlenecks of the analog approach. In this work, we propose a novel protocol for solving hard combinatorial graph problems that combines variational analog quantu…
Detrimental Agnostic Entanglement: The Case Against Hardware-Efficient Ansätze for Combinatorial Optimization
Institute for Computer Science, LMU Munich（慕尼黑大学计算机科学研究所）；relAI – Konrad Zuse School of Excellence in Reliable AI, LMU Munich（LMU慕尼黑 relAI – 康拉德·楚泽可靠人工智能卓越学院）
Quantum(-inspired) annealers show promise in solving combinatorial optimisation problems in practice. There has been extensive researches demonstrating the utility of D-Wave quantum annealer and quantum-inspired annealer, i.e., Fujitsu Digital Annealer on various applications, but few works are comparing these platforms. In this paper, we benchmark quantum(-inspired) annealers with three combinatorial optimisation problems ranging from generic scientific problems to complex problems in practical use. In the case where the problem size goes beyond the capacity of a quantum(-inspired) computer, …
We study theoretically the effects of dissipation on the performances of a variational quantum algorithm used to approximately solve a combinatorial optimization problem, the Maximum Independent Set, on a platform of neutral atoms. We take a realistic model of dissipation with spontaneous emission, and show numerically that the detrimental effects of these incoherent processes are spontaneously attenuated by the variational nature of the procedure. We furthermore implement an alternative optimization scheme recently proposed, where one uses the expected shortfall of the mean energy as the obje…
