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.
In a recent work [10], Poulin and one of us presented a quantum algorithm for preparing thermal Gibbs states of interacting quantum systems. This algorithm is based on Grovers's technique for quantum state engineering, and its running time is dominated by the factor D/Z(β), where D and Z(β) denote the dimension of the quantum system and its partition function at inverse temperature β, respectively. We present here a modified algorithm and a more detailed analysis of the errors that arise due to imperfect simulation of Hamiltonian time evolutions and limited performance of phase estimation (fin…
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 effective…
The Gibbs partition function is an important quantity in describing statistical properties of a system in thermodynamic equilibrium. There are several proposals to calculate the partition functions on near-team quantum computers. However, the existing schemes require many copies of the Gibbs states to perform an extrapolation for the calculation of the partition function, and these could be costly performed on the near-term quantum computers. Here, we propose an efficient scheme to calculate the Gibbs function with the imaginary time evolution. To calculate the Gibbs function of $N$ qubits, on…
We present an algorithm that prepares thermal Gibbs states of one dimensional quantum systems on a quantum computer without any memory overhead, and in a time significantly shorter than other known alternatives. Specifically, the time complexity is dominated by the quantity $N^{\|h\|/ T}$, where $N$ is the size of the system, $\|h\|$ is a bound on the operator norm of the local terms of the Hamiltonian (coupling energy), and $T$ is the temperature. Given other results on the complexity of thermalization, this overall scaling is likely optimal. For higher dimensions, our algorithm lowers the kn…
We analyze the problem of preparing quantum Gibbs states of lattice spin Hamiltonians with local and commuting terms on a quantum computer and in nature. Our central result is an equivalence between the behavior of correlations in the Gibbs state and the mixing time of the semigroup which drives the system to thermal equilibrium (the Gibbs sampler). We introduce a framework for analyzing the correlation and mixing characteristics of quantum Gibbs states and quantum Gibbs samplers, which is rooted in the theory of non-commutative Lp spaces. We consider two distinct classes of Gibbs samplers, on…
Cleveland Clinic Research（克利夫兰诊所研究）；National Tsing Hua University（国立清华大学）；Iowa State University（爱荷华州立大学）；IBM Quantum, IBM T.J. Watson Research Center（IBM量子，IBM托马斯·J·沃森研究中心）；MIT-IBM Watson AI Lab（麻省理工学院-IBM沃森人工智能实验室）
This work presents a novel realization approach to Quantum Boltzmann Machines (QBMs). The preparation of the required Gibbs states, as well as the evaluation of the loss function's analytic gradient is based on Variational Quantum Imaginary Time Evolution, a technique that is typically used for ground state computation. In contrast to existing methods, this implementation facilitates near-term compatible QBM training with gradients of the actual loss function for arbitrary parameterized Hamiltonians which do not necessarily have to be fully-visible but may also include hidden units. The variat…
One of the most promising applications for near term quantum computers is the simulation of physical quantum systems, particularly many-electron systems in chemistry and condensed matter physics. In solid state physics, finding the correct symmetry broken ground state of an interacting electron system is one of the central challenges. The Variational Hamiltonian Ansatz (VHA), a variational hybrid quantum-classical algorithm especially suited for finding the ground state of a solid state system, will in general not prepare a broken symmetry state unless the initial state is chosen to exhibit th…
Many simulation tasks require that one first prepare a system's Gibbs state. We present a family of quantum circuits for variational preparation of thermal Gibbs states on a quantum computer; we call them the thermal multi-scale entanglement renormalization ansatz (TMERA). TMERA circuits transform input qubits to wavepacket modes localized to varying length scales and approximate a systems Gibbs state as a mixed state of these modes. The TMERA is a based on the deep multi-scale entanglement renormalization ansatz (DMERA); a TMERA modifies a ground-state DMERA circuit by preparing each input qu…
The development of Fault-Tolerant Quantum Computer (FTQC) gradually raises a possibility to implement the Quantum Phase Estimation (QPE) algorithm. However, QPE works only for normalized systems. This requires the minimum and maximum of eigenvalues of a Hamiltonian. Variational Quantum Eigensolver (VQE) well developed in the Noisy Intermediate Scale Quantum (NISQ) era is necessary for preparing the initial eigenvectors that close to the exact states. In this paper, we propose a method to derive all of the states with high accuracy by using the Variational Quantum State Eigensolver (VQSE) and S…
Baidu Research（百度研究院）；University of Technology Sydney（悉尼科技大学）
The preparation of 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 implement…
The Quantum Approximate Optimization Algorithm (QAOA) is a standard method for combinatorial optimization with a gate-based quantum computer. The QAOA consists of a particular ansatz for the quantum circuit architecture, together with a prescription for choosing the variational parameters of the circuit. We propose modifications to both. First, we define the Gibbs objective function and show that it is superior to the energy expectation value for use as an objective function in tuning the variational parameters. Second, we describe an Ansatz Architecture Search (AAS) algorithm for searching th…
We propose a method based on deep reinforcement learning that efficiently prepares a quantum many-body pure state in thermal or prethermal equilibrium. The main physical intuition underlying the method is that the information on the equilibrium states can be efficiently encoded/extracted by focusing on only a few local observables, relying on the typicality of equilibrium states. Instead of resorting to the expensive preparation protocol that adopts global features such as the quantum state fidelity, we show that the equilibrium states can be efficiently prepared only by learning the expectati…
We prove a nontrivial circuit-depth lower bound for preparing a low-energy state of a locally interacting quantum many-body system in two dimensions, assuming the circuit is geometrically local. For preparing any state which has an energy density of at most $ε$ with respect to Kitaev's toric code Hamiltonian on a two dimensional lattice $Λ$, we prove a lower bound of $Ω\left(\min\left(1/ε^{\frac{1-α}{2}}, \sqrt{|Λ|}\right)\right)$ for any $α>0$. We discuss two implications. First, our bound implies that the lowest energy density obtainable from a large class of existing variational circuits (e…
Preparing the ground states of a many-body system is essential for evaluating physical quantities and determining the properties of materials. This work provides a quantum ground state preparation scheme with shallow variational warm-start to tackle the bottlenecks of current algorithms, i.e., demand for prior ground state energy information and lack of demonstration of efficient initial state preparation. Particularly, our methods would not experience the instability for small spectral gap $Δ$ during pre-encoding the phase factors since our methods involve only $\widetilde{O}(1)$ factors whil…
Approximating the ground states of strongly interacting electron systems in quantum chemistry and condensed matter physics is expected to be one of the earliest applications of quantum computers. In this paper, we prepare highly accurate ground states of the Fermi-Hubbard model for small grids up to 6 sites (12 qubits) by using an interpretable, adaptive variational quantum eigensolver(VQE) called ADAPT-VQE. In contrast with non-adaptive VQE, this algorithm builds a system-specific ansatz by adding an optimal gate built from one-body or two-body fermionic operators at each step. We show this a…
Quantum simulations are bound to be one of the main applications of near-term quantum computers. Quantum chemistry and condensed matter physics are expected to benefit from these technological developments. Several quantum simulation methods are known to prepare a state on a quantum computer and measure the desired observables. The most resource economic procedure is the variational quantum eigensolver (VQE), which has traditionally employed unitary coupled cluster as the ansatz to approximate ground states of many-body fermionic Hamiltonians. A significant caveat of the method is that the ini…
The geometric measure of entanglement of variational quantum states is studied on the basis of its relation with the mean value of spin. We examine n-qubit quantum states prepared by a variational circuit with a layer formed by the rotational gates and two-qubit controlled phase gates. The variational circuit is a generalization of that used for preparing quantum Generative Adversarial Network states. The entanglement of a qubit with other qubits in the variational quantum states is determined by the angles of rotational gates that act on the qubit and qubits entangled with it by controlled ph…
Ground-state preparation for a given Hamiltonian is a common quantum-computing task of great importance and has relevant applications in quantum chemistry, computational material modeling, and combinatorial optimization. We consider an approach to simulate dissipative non-Hermitian Hamiltonian quantum dynamics using Hamiltonian simulation techniques to efficiently recover the ground state of a target Hamiltonian. The proposed method facilitates the energy transfer by repeatedly projecting ancilla qubits to the desired state, rendering the effective non-Hermitian Hamiltonian evolution on the sy…
Accelerating quantum Gibbs sampling without quantum walks
Virginia Tech（弗吉尼亚理工大学）；Simons Institute for the Theory of Computing, University of California, Berkeley（加州大学伯克利分校西蒙斯理论计算研究所）；Department of Mathematics, University of California, Berkeley（加州大学伯克利分校数学系）；Department of Computing and Mathematical Sciences, California Institute of Technology（加州理工学院计算与数学科学系）；Lawrence Berkeley National Laboratory（劳伦斯伯克利国家实验室）
The variational preparation of complex quantum states using the quantum approximate optimization algorithm (QAOA) is of fundamental interest, and becomes a promising application of quantum computers. Here, we systematically study the performance of QAOA for preparing ground states of target Hamiltonians near the critical points of their quantum phase transitions, and generating Greenberger-Horne-Zeilinger (GHZ) states. We reveal that the performance of QAOA is related to the translational invariance of the target Hamiltonian: Without the translational symmetry, for instance due to the open bou…
Efficient sampling from a classical Gibbs distribution is an important computational problem with applications ranging from statistical physics over Monte Carlo and optimization algorithms to machine learning. We introduce a family of quantum algorithms that provide unbiased samples by preparing a state encoding the entire Gibbs distribution. We show that this approach leads to a speedup over a classical Markov chain algorithm for several examples including the Ising model and sampling from weighted independent sets of two different graphs. Our approach connects computational complexity with p…
We provide an algorithm for preparing the thermofield double (TFD) state of the Sachdev-Ye-Kitaev model without the need for an auxiliary bath. Following previous work, the TFD can be cast as the approximate ground state of a Hamiltonian, $H_{\text{TFD}}$. Using variational quantum circuits, we propose and implement a gradient-based algorithm for learning parameters that find this ground state, an application of the variational quantum eigensolver. Concretely, we find quantum circuits that prepare the ground state of $H_{\text{TFD}}$ for the $q=4$ SYK model up to $N=12$.
In this work, we show how Gibbs or thermal states appear dynamically in closed quantum many-body systems, building on the program of dynamical typicality. We introduce a novel perturbation theorem for physically relevant weak system-bath couplings that is applicable even in the thermodynamic limit. We identify conditions under which thermalization happens and discuss the underlying physics. Based on these results, we also present a fully general quantum algorithm for preparing Gibbs states on a quantum computer with a certified runtime and error bound. This complements quantum Metropolis algor…
In recent years, there has been an emerging trend of combining two innovations in computer science and physics to achieve better computation capability. Exploring the potential of quantum computation to achieve highly efficient performance in various tasks is a vital development in engineering and a valuable question in sciences, as it has a significant potential to provide exponential speedups for technologically complex problems that are specifically advantageous to quantum computers. However, one key issue in unleashing this potential is constructing an efficient approach to load classical …
Thermal expectation estimation via single-trajectory Gibbs sampling with non-destructive measurements
Stanford University（斯坦福大学）；University of California, Berkeley（加州大学伯克利分校）；City University of Hong Kong（香港城市大学）；Institute for Computational and Mathematical Engineering, Stanford University（斯坦福大学计算与数学工程研究所）
Arrays of atoms trapped in optical tweezers combine features of programmable analog quantum simulators with atomic quantum sensors. Here we propose variational quantum algorithms, tailored for tweezer arrays as programmable quantum sensors, capable of generating entangled states on-demand for precision metrology. The scheme is designed to generate metrological enhancement by optimizing it in a feedback loop on the quantum device itself, thus preparing the best entangled states given the available quantum resources. We apply our ideas to generate spin-squeezed states on Sr atom tweezer arrays, …
The variational method is a versatile tool for classical simulation of a variety of quantum systems. Great efforts have recently been devoted to its extension to quantum computing for efficiently solving static many-body problems and simulating real and imaginary time dynamics. In this work, we first review the conventional variational principles, including the Rayleigh-Ritz method for solving static problems, and the Dirac and Frenkel variational principle, the McLachlan's variational principle, and the time-dependent variational principle, for simulating real time dynamics. We focus on the s…
