One of the key applications for the emerging quantum simulators is to emulate the ground state of many-body systems, as it is of great interest in various fields from condensed matter physics to material science. Traditionally, in an analog sense, adiabatic evolution has been proposed to slowly evolve a simple Hamiltonian, initialized in its ground state, to the Hamiltonian of interest such that the final state becomes the desired ground state. Recently, variational methods have also been proposed and realized in quantum simulators for emulating the ground state of many-body systems. Here, we first provide a quantitative comparison between the adiabatic and variational methods with respect to required quantum resources on digital quantum simulators, namely the depth of the circuit and the number of two-qubit quantum gates. Our results show that the variational methods are less demanding with respect to these resources. However, they need to be hybridized with a classical optimization which can converge slowly. Therefore, as the second result of the paper, we provide two different approaches for speeding the convergence of the classical optimizer by taking a good initial guess for the parameters of the variational circuit. We show that these approaches are applicable to a wide range of Hamiltonian and provide significant improvement in the optimization procedure.
The problem of finding the ground state energy of a Hamiltonian using a quantum computer is currently solved using either the quantum phase estimation (QPE) or variational quantum eigensolver (VQE) algorithms. For precision $ε$, QPE requires $O(1)$ repetitions of circuits with depth $O(1/ε)$, whereas each expectation estimation subroutine within VQE requires $O(1/ε^{2})$ samples from circuits with depth $O(1)$. We propose a generalised VQE algorithm that interpolates between these two regimes via a free parameter $α\in[0,1]$ which can exploit quantum coherence over a circuit depth of $O(1/ε^α)…
Accelerated spin-adapted ground state preparation with non-variational quantum algorithms
The University of Tokyo（东京大学）；Quemix Inc.（Quemix公司）；Institute for Physics of Intelligence, The University of Tokyo（东京大学智能物理研究所）；Institute for Solid State Physics, The University of Tokyo（东京大学固体物理研究所）；National Institutes for Quantum Science and Technology (QST)（国立量子科学技术研究院）
The quantum approximate optimisation algorithm was proposed as a heuristic method for solving combinatorial optimisation problems on near-term quantum computers and may be among the first algorithms to perform useful computations in the post-supremacy, noisy, intermediate scale era of quantum computing. In this work, we exploit the recently proposed digital-analog quantum computation paradigm, in which the versatility of programmable universal quantum computers and the error resilience of quantum simulators are combined to improve platforms for quantum computation. We show that the digital-ana…
The iterative quantum phase estimation algorithm, applied to calculating the ground state energies of quantum chemical systems, is theoretically appealing in its wide scope of being able to handle both weakly and strongly correlated regimes. However, the goodness of the initial state that is sent as an input to the algorithm could strongly decide the quality of the results obtained. In this work, we generate the initial state by using the classical-quantum hybrid variational quantum eigensolver algorithm with unitary coupled cluster ansatz. We apply the procedure to obtain the ground state ene…
We establish and discuss a number of connections between a digitized version of Quantum Annealing (QA) with the Quantum Approximate Optimization Algorithm (QAOA) introduced by Farhi et al. (arXiv:1411.4028) as an alternative hybrid quantum-classical variational scheme for quantum-state preparation and optimization. We introduce a technique that allows to prove, for instance, a rigorous bound concerning the performance of QAOA for MaxCut on a $2$-regular graph, equivalent to an unfrustrated antiferromagnetic Ising chain. The bound shows that the optimal variational error of a depth-$\mathrm{P}$…
Variational quantum eigensolvers (VQEs) are a promising class of quantum algorithms for preparing approximate ground states in near-term quantum devices. Minimizing the error in such an approximation requires designing ansatzes using physical considerations that target the studied system. One such consideration is size-extensivity, meaning that the ground state quantum correlations are to be compactly represented in the ansatz. On digital quantum computers, however, the size-extensive ansatzes usually require expansion via Trotter-Suzuki methods. These introduce additional costs and errors to …
We propose the simulation of quantum-optical systems in the ultrastrong-coupling regime using a variational quantum algorithm. More precisely, we introduce a short-depth variational form to prepare the groundstate of the multimode Dicke model on a quantum processor and present proof-of-principle results obtained via cloud access to an IBM device. We moreover provide an algorithm for characterizing the groundstate by Wigner state tomography. Our work is a first step towards digital quantum simulation of quantum-optical systems with potential applications to the spin-boson, Kondo and Jahn-Teller…
Analysis of quantum dot structures is a current topic with important applications in solid-state digital logic design, quantum information technology and quantum optics. In this work, we show a variational formulation for the solution of the effective two-level approach of the analysis of electron localization in two coupled quantum dots. Numerical results are presented as well the use of electron localization in the realization of a configurable logic circuit using quantum-dot cellular automata.
Variational algorithms may enable classically intractable simulations on near-future quantum computers. However, their potential is limited by hardware errors. It is therefore crucial to develop efficient ways to mitigate these errors. Here, we propose a stabiliser-like method which enables the detection of up to 60 - 80 % of depolarising errors. Our method is suitable for near-term quantum hardware. Simulations show that our method can significantly benefit calculations subject to both stochastic and correlated noise, especially when combined with existing error mitigation techniques.
We investigate the effects of noise on parameterised quantum circuits using spectral analysis and classical signal processing tools. For different noise models, we quantify the additional, higher frequency modes in the output signal caused by device errors. We show that filtering these noise-induced modes effectively mitigates device errors. When combined with existing methods, this yields an improved reconstruction of the noiseless variational landscape. Moreover, we describe the classical and quantum resource requirements for these techniques and test their effectiveness for application moti…
Coherent states, known as displaced vacuum states, play an important role in quantum information processing, quantum machine learning,and quantum optics. In this article, two ways to digitally prepare coherent states in quantum circuits are introduced. First, we construct the displacement operator by decomposing it into Pauli matrices via ladder operators, i.e., creation and annihilation operators. The high fidelity of the digitally generated coherent states is verified compared with the Poissonian distribution in Fock space. Secondly, by using Variational Quantum Algorithms, we choose differe…
Quantum Monte Carlo and quantum simulation are both important tools for understanding quantum many-body systems. As a classical algorithm, quantum Monte Carlo suffers from the sign problem, preventing its application to most fermion systems and real time dynamics. In this paper, we introduce a novel non-variational algorithm using quantum simulation as a subroutine to accelerate quantum Monte Carlo by easing the sign problem. The quantum subroutine can be implemented with shallow circuits and, by incorporating error mitigation, can reduce the Monte Carlo variance by several orders of magnitude…
The simulation of dense fermionic matters is a long-standing problem in lattice gauge theory. One hopeful solution would be the use of quantum computers. In this paper, digital quantum simulation is designed for lattice gauge theory at nonzero density. The quantum variational algorithm is adopted to obtain the ground state at nonzero density. A benchmark test is performed in the lattice Schwinger model.
The potential energy surface (PES) is crucial for interpreting a variety of chemical reaction processes. However, predicting accurate PESs with high-level electronic structure methods is a challenging task due to the high computational cost. As an appealing application of quantum computing, we show in this work that variational quantum algorithms can be integrated with machine learning (ML) techniques as a promising scheme for exploring accurate PESs. Different from using a ML model to represent the potential energy, we encode the molecular geometry information into a deep neural network (DNN)…
The road to computing on quantum devices has been accelerated by the promises that come from using Shor's algorithm to reduce the complexity of prime factorization. However, this promise hast not yet been realized due to noisy qubits and lack of robust error correction schemes. Here we explore a promising, alternative method for prime factorization that uses well-established techniques from variational imaginary time evolution. We create a Hamiltonian whose ground state encodes the solution to the problem and use variational techniques to evolve a state iteratively towards these prime factors.…
Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. Recent developments in hybrid quantum-classical approaches enable the determinations of the ground or low energy states of molecular systems. Here, we extend near-term quantum simulations of chemistry to time-dependent processes by simulating energy transfer in organic semiconducting molecules. We developed a multi-scale modeling workflow that combines conventional molecular dynamics and quantum chemistry simulations with hybrid variational quantum algorithm to compute the exciton dy…
We propose an implementation of a two-dimensional $\mathbb{Z}_2$ lattice gauge theory model on a shallow quantum circuit, involving a number of single and two-qubits gates comparable to what can be achieved with present-day and near-future technologies. The ground state preparation is numerically analyzed on a small lattice with a variational quantum algorithm, which requires a small number of parameters to reach high fidelities and can be efficiently scaled up on larger systems. Despite the reduced size of the lattice we consider, a transition between confined and deconfined regimes can be de…
DQAOA-GPT: AI-Accelerated Distributed Quantum Optimization for Combinatorial Problems
1 National Center for Computational Sciences, Oak Ridge National Laboratory, Oak Ridge, TN, USA；2 Department of Physics \& Astronomy, University of Tennessee, Knoxville, TN, USA；3 NVIDIA Corporation, Santa Clara, CA, USA；4 IonQ Inc., Chattanooga, TN, USA；5 IonQ Inc., Seattle, WA, USA；Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA
