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arXiv:2203.12757

Adaptive variational algorithms for quantum Gibbs state preparation

Ada Warren, Zhu, Linghua, Nicholas J. Mayhall, Edwin Barnes, Sophia E. Economou

Published Mar 23, 2022• 12 citations
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Abstract

The preparation of Gibbs thermal states is an important task in quantum computation with applications in quantum simulation, quantum optimization, and quantum machine learning. However, many algorithms for preparing Gibbs states rely on quantum subroutines which are difficult to implement on near-term hardware. Here, we address this by (i) introducing an objective function that, unlike the free energy, is easily measured, and (ii) using dynamically generated, problem-tailored ansätze. This allows for arbitrarily accurate Gibbs state preparation using low-depth circuits. To verify the effectiveness of our approach, we numerically demonstrate that our algorithm can prepare high-fidelity Gibbs states across a broad range of temperatures and for a variety of Hamiltonians.

DOI
10.48550/arxiv.2203.12757

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The preparation of Gibbs thermal states is an important task in quantum computation with applications in quantum simulation, quantum optimization, and quantum machine learning. However, many algorithms for preparing Gibbs states rely on quantum subroutines which are difficult to implement on near-term hardware. Here, we address this by (i) introducing an objective function that, unlike the free energy, is easily measured, and (ii) using dynamically generated, problem-tailored ansätze. This allows for arbitrarily accurate Gibbs state preparation using low-depth circuits. To verify the effectiveness of our approach, we numerically demonstrate that our algorithm can prepare high-fidelity Gibbs states across a broad range of temperatures and for a variety of Hamiltonians.
The preparation of a quantum Gibbs state is an essential part of quantum computation and has wide-ranging applications in various areas, including quantum simulation, quantum optimization, and quantum machine learning. In this paper, we propose variational hybrid quantum-classical algorithms for quantum Gibbs state preparation. We first utilize a truncated Taylor series to evaluate the free energy and choose the truncated free energy as the loss function. Our protocol then trains the parameterized quantum circuits to learn the desired quantum Gibbs state. Notably, this algorithm can be implemented on near-term quantum computers equipped with parameterized quantum circuits. By performing numerical experiments, we show that shallow parameterized circuits with only one additional qubit can be trained to prepare the Ising chain and spin chain Gibbs states with a fidelity higher than 95%. In particular, for the Ising chain model, we find that a simplified circuit ansatz with only one parameter and one additional qubit can be trained to realize a 99% fidelity in Gibbs state preparation at inverse temperatures larger than 222.
Preparation of Gibbs distributions is an important task for quantum computation. It is a necessary first step in some types of quantum simulations and further is essential for quantum algorithms such as quantum Boltzmann training. Despite this, most methods for preparing thermal states are impractical to implement on near-term quantum computers because of the memory overheads required. Here we present a variational approach to preparing Gibbs states that is based on minimizing the free energy of a quantum system. The key insight that makes this practical is the use of Fourier series approximations to the logarithm that allows the entropy component of the free-energy to be estimated through a sequence of simpler measurements that can be combined together using classical post processing. We further show that this approach is efficient for generating high-temperature Gibbs states, within constant error, if the initial guess for the variational parameters for the programmable quantum circuit are sufficiently close to a global optima. Finally, we examine the procedure numerically and show the viability of our approach for five-qubit Hamiltonians using Trotterized adiabatic state preparation as an ansatz.
Preparing thermal states on a quantum computer can have a variety of applications, from simulating many-body quantum systems to training machine learning models. Variational circuits have been proposed for this task on near-term quantum computers, but several challenges remain, such as finding a scalable cost-function, avoiding the need of purification, and mitigating noise effects. We propose a new algorithm for thermal state preparation that tackles those three challenges by exploiting the noise of quantum circuits. We consider a variational architecture containing a depolarizing channel after each unitary layer, with the ability to directly control the level of noise. We derive a closed-form approximation for the free-energy of such circuit and use it as a cost function for our variational algorithm. By evaluating our method on a variety of Hamiltonians and system sizes, we find several systems for which the thermal state can be approximated with a high fidelity. However, we also show that the ability for our algorithm to learn the thermal state strongly depends on the temperature: while a high fidelity can be obtained for high and low temperatures, we identify a specific range for which the problem becomes more challenging. We hope that this first study on noise-assisted thermal state preparation will inspire future research on exploiting noise in variational algorithms.
The preparation of an equilibrium thermal state of a quantum many-body system on noisy intermediate-scale quantum (NISQ) devices is an important task in order to extend the range of applications of quantum computation. Faithful Gibbs state preparation would pave the way to investigate protocols such as thermalization and out-of-equilibrium thermodynamics and provide useful resources for quantum algorithms, where sampling from Gibbs states constitutes a key subroutine. We propose a variational quantum algorithm (VQA) to prepare Gibbs states of a quantum many-body system. The novelty of our VQA consists of implementing a parameterized quantum circuit acting on two distinct, yet connected (via cnot gates), quantum registers. The VQA evaluates the Helmholtz free energy, where the von Neumann entropy is obtained via postprocessing of computational-basis measurements on one register, while the Gibbs state is prepared on the other register via a unitary rotation in the energy basis. Finally, we benchmark our VQA by preparing Gibbs states of the transverse-field Ising and Heisenberg XXZ models and achieve remarkably high fidelities across a broad range of temperatures in state-vector simulations. We also assess the performance of the VQA on IBM quantum computers, showcasing its feasibility on current NISQ devices.
Sampling from distributions is an important capability for a range of tasks in science and engineering, including in machine learning applications. Quantum computers hold promise for the capability of sampling from distributions that are hard to sample from with usual (classical) computers. We have recently introduced an adaptive quantum variational algorithm for Gibbs state preparation, a state that can be sampled to yield a thermal (or Gibbs) distribution. This has applications in statistical physics, stochastic processes, and optimization. Here we explore the role of the initial quantum correlations (i.e., entanglement) built into the ‘data’ quantum bits (those that will be sampled) and the ancilla quantum bits (those that assist in preparing the Gibbs state) in the run-time of the adaptive state-preparation algorithm. Based on our simulations, we conclude that certain types of entangled states perform better for Ising Hamiltonians, while others are more appropriate for XY Hamiltonians. We also show that both perform well if multiple operators are added at each iteration through the ‘TETRIS-ADAPT’ technique.
Quantum simulation of chemical systems is one of the most promising near-term applications of quantum computers. The variational quantum eigensolver, a leading algorithm for molecular simulations on quantum hardware, has a serious limitation in that it typically relies on a pre-selected wavefunction ansatz that results in approximate wavefunctions and energies. Here we present an arbitrarily accurate variational algorithm that, instead of fixing an ansatz upfront, grows it systematically one operator at a time in a way dictated by the molecule being simulated. This generates an ansatz with a small number of parameters, leading to shallow-depth circuits. We present numerical simulations, including for a prototypical strongly correlated molecule, which show that our algorithm performs much better than a unitary coupled cluster approach, in terms of both circuit depth and chemical accuracy. Our results highlight the potential of our adaptive algorithm for exact simulations with present-day and near-term quantum hardware.