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Bulletin of the American Physical Society

Accurate Variational Description of Adiabatic Quantum Optimization

Giuseppe Carleo, Bela Bauer, Matthias Troyer

Published Mar 14, 2016• 0 citations
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The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm for finding the minimum eigenvalue of a Hamiltonian that involves the optimization of a parameterized quantum circuit. Since the resulting optimization problem is in general nonconvex, the method can converge to suboptimal parameter values that do not yield the minimum eigenvalue. In this work, we address this shortcoming by adopting the concept of variational adiabatic quantum computing (VAQC) as a procedure to improve VQE. In VAQC, the ground state of a continuously parameterized Hamiltonian is approximated via a parameterized quantum circuit. We discuss some basic theory of VAQC to motivate the development of a hybrid quantum-classical homotopy continuation method. The proposed method has parallels with a predictor-corrector method for numerical integration of differential equations. While there are theoretical limitations to the procedure, we see in practice that VAQC can successfully find good initial circuit parameters to initialize VQE. We demonstrate this with two examples from quantum chemistry. Through these examples, we provide empirical evidence that VAQC, combined with other techniques (an adaptive termination criteria for the classical optimizer and a variance-based resampling method for the expectation evaluation), can provide more accurate solutions than “plain” VQE, for the same amount of effort.
The theoretical analysis of the Adiabatic Quantum Computation protocol presents several challenges resulting from the difficulty of simulating, with classical resources, the unitary dynamics of a large quantum device. We present here a variational approach to substantially alleviate this problem in many situations of interest. Our approach is based on the time-dependent Variational Monte Carlo method, in conjunction with a correlated and time-dependent Jastrow ansatz. We demonstrate that accurate results can be obtained in a variety of problems, ranging from the description of defect generation through a dynamical phase transition in 1D to the complex dynamics of frustrated spin-glass problems both on fully-connected and Chimera graphs.
Quantum computing promises to efficiently and accurately solve many important problems in quantum chemistry which elude classical solvers, such as the electronic structure problem of highly correlated materials. Two leading methods in solving the ground state problem are the Variational Quantum Eigensolver (VQE) and Adiabatic Quantum Computing (AQC) algorithms. VQE often struggles with convergence due to the energy landscape being highly non-convex and the existence of barren plateaux, and implementing AQC is beyond the capabilities of current quantum devices as it requires deep circuits. Adiabatically-inspired algorithms aim to fill this gap. In this paper, we first present a unifying framework for these algorithms and then benchmark the following methods: the Adiabatically Assisted VQE (AAVQE) (Garcia-Saez and Latorre (2018)), the Variational Adiabatic Quantum Computing (VAQC) (Harwood et al (2022)), and the Adiabatic Quantum Computing with Parametrized Quantum Circuits (AQC-PQC) (Kolotouros et al (2025)) algorithms. Second, we introduce a novel hybrid approach termed G-AQC-PQC, which generalizes the AQC-PQC method, and combines adiabatic-inspired initialization with the low-memory BFGS optimizer, reducing the quantum computational cost of the method. Third, we compare the accuracy of the methods for chemistry applications using the beryllium hydride molecule (BeH2_22​). We compare the approaches across a number of different choices (ansätze types, depth, discretization steps, initial Hamiltonian, adiabatic schedules and method used). Our results show that the G-AQC-PQC outperforms conventional VQE. We further discuss limitations such as the zero-gradient problem and identify regimes where adiabatically-inspired methods offer a tangible advantage for near-term quantum chemistry applications.