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arXiv:2012.03895 · npj Quantum Information

Variational preparation of finite-temperature states on a quantum computer

Ramiro Sagastizabal, Shavindra Premaratne, Berend Klaver, Michiel Adriaan Rol, Victor Negîrneac, M. S. Moreira, Xiang Zou, Sonika Johri, Nandini Muthusubramanian, Marc Beekman, Christos Zachariadis, Viacheslav Ostroukh, Nadia Haider, Alessandro Bruno, A. Y. Matsuura, L. DiCarlo

Published Aug 20, 2021• 61 citations
arXivHTMLPDF

Abstract

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.

DOI
10.1038/s41534-021-00468-1

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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.
We present a variational approach for quantum simulators to realize finite temperature Gibbs states by preparing thermofield double (TFD) states. Our protocol is motivated by the quantum approximate optimization algorithm and involves alternating time evolution between the Hamiltonian of interest and interactions which entangle the system and its auxiliary counterpart. As a simple example, we demonstrate that thermal states of the 1D classical Ising model at any temperature can be prepared with perfect fidelity using L/2 iterations, where L is system size. We also show that a free fermion TFD can be prepared with nearly optimal efficiency. Given the simplicity and efficiency of the protocol, our approach enables near-term quantum platforms to access finite temperature phenomena via preparation of thermofield double states.
Finite-temperature phases of many-body quantum systems are fundamental to phenomena ranging from condensed-matter physics to cosmology, yet they are generally difficult to simulate. Using an ion trap quantum computer and protocols motivated by the quantum approximate optimization algorithm (QAOA), we generate nontrivial thermal quantum states of the transverse-field Ising model (TFIM) by preparing thermofield double states at a variety of temperatures. We also prepare the critical state of the TFIM at zero temperature using quantum-classical hybrid optimization. The entanglement structure of thermofield double and critical states plays a key role in the study of black holes, and our work simulates such nontrivial structures on a quantum computer. Moreover, we find that the variational quantum circuits exhibit noise thresholds above which the lowest-depth QAOA circuits provide the best results.
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.
We propose quantum algorithms for preparing thermal states via the simulation of the thermofield double states. The key idea is to leverage double-bracket quantum algorithms to implement imaginary-time evolution on thermofield double states, whose reduced state realizes the Gibbs state. Our method, termed double-bracket thermofield double (DB-TFD), introduces two variants. The first, the vanilla DB-TFD algorithm, directly implements imaginary-time evolution using double-bracket quantum imaginary-time evolution. The second, poly DB-TFD, employs double-bracket quantum signal processing to approximate the imaginary-time evolution operator via a polynomial transformation. We demonstrate that the complexity of the poly DB-TFD algorithm scales exponentially with the inverse temperature in a broad practical regime. This scaling is consistent with existing methods, and numerical simulations support the corresponding theoretical bound. We further demonstrate the utility of DB-TFD in quantum Boltzmann machines for generative modeling, achieving improved performance compared with variational imaginary-time evolution approaches. These results establish DB-TFD as a promising route for thermal state preparation in the near-term and early-fault-tolerant regimes.
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.
Calculating the physical properties of quantum thermal states is a difficult problem for classical computers, rendering it intractable for most quantum many-body systems. A quantum computer, by contrast, would make many of these calculations feasible in principle, but it is still nontrivial to prepare a given thermal state or sample from it. It is also not known how to prepare special simple purifications of thermal states known as thermofield doubles, which play an important role in quantum many-body physics and quantum gravity. To address this problem, we propose a variational scheme to prepare approximate thermal states on a quantum computer by applying a series of two-qubit gates to a product mixed state. We apply our method to a nonintegrable region of the mixed field Ising chain and the Sachdev-Ye-Kitaev model. We also demonstrate how our method can be easily extended to large systems governed by local Hamiltonians and the preparation of thermofield double states. By comparing our results with exact solutions, we find that our construction enables the efficient preparation of approximate thermal states on quantum devices. Our results can be interpreted as implying that the details of the many-body energy spectrum are not needed to capture simple thermal observables.