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arXiv:2107.06234 · Chinese Physics B

Variational quantum simulation of thermal statistical states on a superconducting quantum processer

Xueyi Guo, Shang-Shu Li, Xiao Xiao, Zhongcheng Xiang, Zi-Yong Ge, Hekang Li, Pengtao Song, Yi Peng, Zhan Wang, Kai Xu, Pan Zhang, Lei Wang, Dongning Zheng, Heng Fan

Published Dec 2, 2022• 15 citations
arXivHTMLPDF

Abstract

Quantum computers promise to solve finite-temperature properties of quantum many-body systems, which is generally challenging for classical computers due to high computational complexities. Here, we report experimental preparations of Gibbs states and excited states of Heisenberg XX and XXZ models by using a 5-qubit programmable superconducting processor. In the experiments, we apply a hybrid quantum–classical algorithm to generate finite temperature states with classical probability models and variational quantum circuits. We reveal that the Hamiltonians can be fully diagonalized with optimized quantum circuits, which enable us to prepare excited states at arbitrary energy density. We demonstrate that the approach has a self-verifying feature and can estimate fundamental thermal observables with a small statistical error. Based on numerical results, we further show that the time complexity of our approach scales polynomially in the number of qubits, revealing its potential in solving large-scale problems.

DOI
10.1088/1674-1056/aca7f3

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•Jan 1, 2026•0 citations
Quantum computers promise to solve finite-temperature properties of quantum many-body systems, which is generally challenging for classical computers due to high computational complexities. Here, we report experimental preparations of Gibbs states and excited states of Heisenberg XX and XXZ models by using a 5-qubit programmable superconducting processor. In the experiments, we apply a hybrid quantum–classical algorithm to generate finite temperature states with classical probability models and variational quantum circuits. We reveal that the Hamiltonians can be fully diagonalized with optimized quantum circuits, which enable us to prepare excited states at arbitrary energy density. We demonstrate that the approach has a self-verifying feature and can estimate fundamental thermal observables with a small statistical error. Based on numerical results, we further show that the time complexity of our approach scales polynomially in the number of qubits, revealing its potential in solving large-scale problems.
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.
Nature is governed by precise physical laws, which can inspire the discovery of new computer-run simulation algorithms. Thermal states are the most ubiquitous for they are the equilibrium states of matter. Simulating thermal states of quantum matter has applications ranging from quantum machine learning to better understanding of high-temperature superconductivity and quantum chemistry. The computational complexity of this task is hopelessly hard for classical computers. The existing quantum algorithms come with caveats: most either require quantum phase estimation rendering them impractical for current noisy hardware, or are variational which face obstacles such as initialization, barren plateaus, and a general lack of provable guarantee. We provide two quantum algorithms with provable guarantees to prepare thermal states on (near-term) quantum computers that avoid these drawbacks. The first algorithm is inspired by the natural thermalization process where the ancilla qubits act as the infinite thermal bath. This algorithm can potentially run in polynomial time to sample thermal distributions of ergodic systems -- the vast class of physical systems that equilibrate in isolation with respect to local observables. The second algorithm works for any system and in general runs in exponential time. However, it requires significantly smaller quantum resources than previous such algorithms. In addition, we provide an error mitigation technique for both algorithms to fight back decoherence, which enables us to run our algorithms on the near-term quantum devices. To illustration, we simulate the thermal state of the hardcore Bose-Hubbard model on the latest generation of available quantum computers.
Abstract The preparation of thermal equilibrium states is important for the simulation of condensed matter and cosmology systems using a quantum computer. We present a method to prepare such mixed states with unitary operators and demonstrate this technique experimentally using a gate-based quantum processor. Our method targets the generation of thermofield double states using a hybrid quantum-classical variational approach motivated by quantum-approximate optimization algorithms, without prior calculation of optimal variational parameters by numerical simulation. The fidelity of generated states to the thermal-equilibrium state smoothly varies from 99 to 75% between infinite and near-zero simulated temperature, in quantitative agreement with numerical simulations of the noisy quantum processor with error parameters drawn from experiment.
The preparation and computation of many properties of quantum Gibbs states is essential for algorithms such as quantum semidefinite programming and quantum Boltzmann machines.We propose a quantum algorithm that can predict M linear functions of an arbitrary Gibbs state with only O(log M ) experimental measurements.Our main insight is that for sufficiently large systems we do not need to prepare the nqubit mixed Gibbs state explicitly but, instead, we can evolve a random n-qubit pure state in imaginary time.The result then follows by constructing classical shadows of these random pure states.We propose a quantum circuit that implements this algorithm by using quantum signal processing for the imaginary time evolution.We numerically verify the efficiency of the algorithm by simulating the circuit for a tenspin-1/2 XXZ-Heisenberg model.In addition, we show that the algorithm can be successfully employed as a subroutine for training an eight-qubit fully connected quantum Boltzmann machine.
We present a holographic quantum simulation algorithm to variationally prepare thermal states of ddd-dimensional interacting quantum many-body systems, using only enough hardware qubits to represent a $(d\ensuremath{-}1)$-dimensional cross section. This technique implements the thermal state by approximately unraveling the quantum matrix-product density operator (qMPDO) into a stochastic mixture of quantum matrix-product states (sto-qMPS). The parameters of the quantum circuits generating the qMPS and of the probability distribution generating the stochastic mixture are determined through a variational optimization procedure. We demonstrate a small-scale proof-of-principle demonstration of this technique on Quantinuum's trapped-ion quantum processor to simulate thermal properties of correlated spin chains over a wide temperature range using only a single pair of hardware qubits. Then, through classical simulations, we explore the representational power of two versions of sto-qMPS ansatzes for larger and deeper circuits and establish empirical relationships between the circuit resources and the accuracy of the variational free energy.
The study of quantum many-body systems is crucial to our understanding of nature at the microscopic scale. As analytical solutions quickly become intractable, the development of efficient computational simulation techniques is indispensable to predict the behaviour of quantum systems. This task is particularly challenging as the dimension of the underlying Hilbert space grows exponentially with the system size. While classical computational methods have achieved remarkable success in specific regimes, their applicability is fundamentally limited by this exponential scaling. Quantum computers offer a natural platform for representing and simulating quantum systems, but current devices are constrained by noise and limited qubit counts, drastically restricting the algorithms that can be run. In this context, hybrid quantum-classical algorithms provide a promising approach to combine the strengths of both paradigms. This thesis develops hybrid quantum-classical algorithms for the simulation of quantum many-body systems. The key idea is to perform classically difficult tasks on near-term quantum devices, while leveraging classical computational power to control, correct, and extend the obtained results. Within this framework, we introduce two complementary approaches for the simulation of quantum dynamics. The first method employs circuit knitting techniques to distribute variational quantum simulations across multiple quantum devices. The entanglement between weakly coupled clusters of highly correlated spins is recovered in classical post-processing, where the overhead is controlled through a constrained optimisation problem. The second method combines a simplified, Trotterised quantum dynamics simulation with a parametrised classical ansatz trained to correct for the approximations made on the quantum device. We show that this method can be employed to correct Trotter errors, implement long-range gates with hardware-efficient circuits, or simulate larger systems by incorporating additional degrees of freedom purely classically. In addition, we present a hybrid approach to computing thermal properties of quantum many-body systems via the Quantum Finite Temperature Lanczos Method. A Krylov subspace is generated on a quantum computer by combining the efficient preparation of typical states with real-time evolution. A classical computer then diagonalises the system in the low-dimensional subspace and estimates the finite-temperature expectation values through trace estimation. The results presented in this thesis demonstrate that hybrid quantum-classical algorithms can expand the range of systems that can be studied on near-term quantum devices. Conversely, we show that incorporating quantum subroutines into classical simulation techniques can improve their efficiency. These results suggest that, rather than treating classical and quantum simulation as competing paradigms, their careful integration can provide a more effective route toward practical quantum many-body simulation.