We consider the problem of preparing thermal equilibrium states at finite temperature on quantum computers. Assuming thermalization, we show that states that are locally at thermal equilibrium can be prepared by evolving adiabatically an initial thermal Gibbs state of a simple Hamiltonian with an interpolating time-dependent Hamiltonian, identically to adiabatic ground state preparation. We argue that the entropy density of local density matrices is conserved during the adiabatic evolution in the thermodynamic limit, so that both the entropy and energy of the final state can be computed, and thus the final temperature too. We show that in the presence of hardware noise, the entropy created by the noisy evolution can be precisely benchmarked with mirror circuits. We give numerical evidence that the resulting thermal state preparation protocol is noise-resilient for depolarizing noise, in the sense that the energy-temperature curve measured on a noisy quantum computer is remarkably insensitive to the amplitude of depolarizing noise in the state preparation. We finally propose a protocol to estimate the lack of adiabaticity in a given actual Trotter implementation of the dynamics. We test our protocol on Quantinuum’s H1-1 ion-trap device. We measure that a circuit with 640 two-qubit gates implemented on hardware generates an entropy per site of 0.166 ± 0.0045, giving a benchmark metric for this state preparation. We report the preparation of a thermal state with temperature 2.56 ± 0.26 of the Ising model in size 5 × 4.
We consider the problem of preparing thermal equilibrium states at finite temperature on quantum computers. Assuming thermalization, we show that states that are locally at thermal equilibrium can be prepared by evolving adiabatically an initial thermal Gibbs state of a simple Hamiltonian with an interpolating time-dependent Hamiltonian, identically to adiabatic ground state preparation. We argue that the entropy density of local density matrices is conserved during the adiabatic evolution in the thermodynamic limit, so that both the entropy and energy of the final state can be computed, and thus the final temperature too. We show that in the presence of hardware noise, the entropy created by the noisy evolution can be precisely benchmarked with mirror circuits. We give numerical evidence that the resulting thermal state preparation protocol is noise-resilient for depolarizing noise, in the sense that the energy-temperature curve measured on a noisy quantum computer is remarkably insensitive to the amplitude of depolarizing noise in the state preparation. We finally propose a protocol to estimate the lack of adiabaticity in a given actual Trotter implementation of the dynamics. We test our protocol on Quantinuum’s H1-1 ion-trap device. We measure that a circuit with 640 two-qubit gates implemented on hardware generates an entropy per site of 0.166 ± 0.0045, giving a benchmark metric for this state preparation. We report the preparation of a thermal state with temperature 2.56 ± 0.26 of the Ising model in size 5 × 4.
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.
We compare the performance of representative cooling, adiabatic, and optimization algorithms for ground-state preparation in the presence of noise. Using an exactly solvable family of quadratic fermionic Hamiltonians subject to depolarizing noise, we derive the scaling of the achievable relative energy as a function of the noise rate and support these results with numerical simulations. The Hamiltonian exhibits two phases, separated by a quantum phase transition. As expected, the performance of the different algorithms depends on the phase: adiabatic evolution is favorable in the trivial phase, while a multi-frequency cooling algorithm, as proposed in [1], becomes competitive or superior in the topological phase, where gap-closing limits adiabatic protocols. We further present numerical results for the quantum approximate optimization algorithm [2], showing that it performs competitively with cooling in the trivial phase but is typically outperformed in the topological regime. Finally, we show that for this model the cooling protocol exhibits enhanced robustness to parameter imperfections, highlighting its potential advantage for realistic implementations of noisy quantum state preparation.
The analytical approach developed here, in conjunction with numerical validation, establishes an extendable approach to benchmarking ground-state preparation algorithms.
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.
We compare the performance of representative cooling, adiabatic, and optimization algorithms for ground-state preparation in the presence of noise. Using an exactly solvable family of quadratic fermionic Hamiltonians subject to depolarizing noise, we derive the scaling of the achievable relative energy as a function of the noise rate and support these results with numerical simulations. The Hamiltonian exhibits two phases, separated by a quantum phase transition. As expected, the performance of the different algorithms depends on the phase: adiabatic evolution is favorable in the trivial phase, while a multi-frequency cooling algorithm, as proposed in [1], becomes competitive or superior in the topological phase, where gap-closing limits adiabatic protocols. We further present numerical results for the quantum approximate optimization algorithm [2], showing that it performs competitively with cooling in the trivial phase but is typically outperformed in the topological regime. Finally, we show that for this model the cooling protocol exhibits enhanced robustness to parameter imperfections, highlighting its potential advantage for realistic implementations of noisy quantum state preparation. The analytical approach developed here, in conjunction with numerical validation, establishes an extendable approach to benchmarking ground-state preparation algorithms.
Estimating molecular ground-state energies is a central application of quantum computing, requiring both the preparation of accurate quantum states and efficient energy readout. Understanding the effect of hardware noise on these experiments is crucial to distinguish errors that have low impact, errors that can be mitigated, and errors that must be reduced at the hardware level. We ran a state preparation and energy measurement protocol on an ion-trap quantum computer, without any non-scalable off-loading of computational tasks to classical computers, and show that leakage errors are the main obstacle to chemical accuracy. More specifically, we apply adiabatic state preparation to prepare the ground state of a six-qubit encoding of the H3+ molecule and extract its energy using a noise-resilient variant of iterative quantum phase estimation. Our results improve upon the classical Hartree-Fock energy. Analyzing the effect of hardware noise on the result, we find that while coherent and incoherent noise have little influence, the hardware results are mainly impacted by leakage errors. Absent leakage errors, noisy numerical simulations show that with our experimental settings we would have achieved close to chemical accuracy, even shot noise included. These insights highlight the importance of targeting leakage suppression in future algorithm and hardware development.
Despite its simplicity and strong theoretical guarantees, adiabatic state preparation has received considerably less interest than variational approaches for the preparation of low-energy electronic structure states. Two major reasons for this are the large number of gates required for Trotterizing time-dependent electronic structure Hamiltonians, as well as discretization errors heating the state. We show that a recently proposed randomized algorithm [E. Granet and H. Dreyer, npj Quantum Inf. 10, 82 (2024)], which implements exact adiabatic evolution without heating and with far fewer gates than Trotterization, can overcome this problem. We develop three methods for measuring the energy of the prepared state in an efficient and noise-resilient manner, yielding chemically accurate results on a four-qubit molecule in the presence of realistic gate noise, without the need for error mitigation. These findings suggest that adiabatic approaches to state preparation could play a key role in quantum chemistry simulations both in the era of noisy as well as error-corrected quantum computers.