Quantum Monte Carlo and quantum simulation are both important tools for understanding quantum many-body systems. As a classical algorithm, quantum Monte Carlo suffers from the sign problem, preventing its applications to most fermion systems and real-time dynamics. In contrast, on a quantum computer, we can simulate time evolution of general systems with local interactions, yet such algorithms usually require the development of fault-tolerant quantum technologies. In this paper, we introduce a novel non-variational algorithm using quantum computing as a subroutine to accelerate quantum Monte Carlo. On a fault-tolerant quantum computer, the complexity of our algorithm is polynomial as the same as conventional quantum simulation algorithms. On a noisy quantum computer, our algorithm incorporating error mitigation eases the sign problem. Even when the circuit noise is significant, our algorithm can reduce the Monte Carlo variance by orders of magnitude.Quantum Monte Carlo and quantum simulation are both important tools for understanding quantum many-body systems. As a classical algorithm, quantum Monte Carlo suffers from the sign problem, preventing its applications to most fermion systems and real-time dynamics. In contrast, on a quantum computer, we can simulate time evolution of general systems with local interactions, yet such algorithms usually require the development of fault-tolerant quantum technologies. In this paper, we introduce a novel non-variational algorithm using quantum computing as a subroutine to accelerate quantum Monte Carlo. On a fault-tolerant quantum computer, the complexity of our algorithm is polynomial as the same as conventional quantum simulation algorithms. On a noisy quantum computer, our algorithm incorporating error mitigation eases the sign problem. Even when the circuit noise is significant, our algorithm can reduce the Monte Carlo variance by orders of magnitude.

Jun 18, 20210 citations

Real-Time Sign-Problem-Suppressed Quantum Monte Carlo Algorithm for Noisy Quantum Circuit Simulations

Tong Shen, Daniel A. Lidar

We present a real-time quantum Monte Carlo algorithm that simulates the dynamics of open quantum systems by stochastically compressing and evolving the density matrix under both Markovian and non-Markovian master equations. Our algorithm uses population dynamics to continuously suppress the sign problem, preventing its accumulation throughout the evolution for a broad class of noisy-circuit Liouvillians of practical and experimental interest. We apply it to a variety of quantum circuits and demonstrate significant speedups and scaling improvements over state-of-the-art quantum trajectory methods and convergence to exact solutions even in non-Markovian regimes where trajectory methods fail. Our approach improves the efficiency of classical simulation of gate-based quantum computing, quantum annealing, and general open system dynamics.We present a real-time quantum Monte Carlo algorithm that simulates the dynamics of open quantum systems by stochastically compressing and evolving the density matrix under both Markovian and non-Markovian master equations. Our algorithm uses population dynamics to continuously suppress the sign problem, preventing its accumulation throughout the evolution for a broad class of noisy-circuit Liouvillians of practical and experimental interest. We apply it to a variety of quantum circuits and demonstrate significant speedups and scaling improvements over state-of-the-art quantum trajectory methods and convergence to exact solutions even in non-Markovian regimes where trajectory methods fail. Our approach improves the efficiency of classical simulation of gate-based quantum computing, quantum annealing, and general open system dynamics.

arXiv:2502.18929Physical Review LettersApr 30, 20263 citations

Quantum computing quantum Monte Carlo algorithm

Yukun Zhang, Yifei Huang, Jinzhao Sun +2 more

Quantum computing and quantum Monte Carlo (QMC) are respectively the state-of-the-art quantum and classical computing methods for understanding many-body quantum systems. Here, we propose a hybrid quantum-classical algorithm that integrates these two methods, inheriting their distinct features in efficient representation and manipulation of quantum states and overcoming their limitations. We first introduce non-stoquasticity indicators (NSIs) and their upper bounds, which measure the sign problem, the most notable limitation of QMC. We show that our algorithm could greatly mitigate the sign problem, which decreases NSIs with the assistance of quantum computing. Meanwhile, the use of quantum Monte Carlo also increases the expressivity of shallow quantum circuits, allowing more accurate computation that is conventionally achievable only with much deeper circuits. We numerically test and verify the method for the N $_2$ molecule (12 qubits) and the Hubbard model (16 qubits). Our work paves the way to solving practical problems with intermediate-scale and early-fault tolerant quantum computers, with potential applications in chemistry, condensed matter physics, materials, high energy physics, etc.Quantum computing and quantum Monte Carlo (QMC) are respectively the state-of-the-art quantum and classical computing methods for understanding many-body quantum systems. Here, we propose a hybrid quantum-classical algorithm that integrates these two methods, inheriting their distinct features in efficient representation and manipulation of quantum states and overcoming their limitations. We first introduce non-stoquasticity indicators (NSIs) and their upper bounds, which measure the sign problem, the most notable limitation of QMC. We show that our algorithm could greatly mitigate the sign problem, which decreases NSIs with the assistance of quantum computing. Meanwhile, the use of quantum Monte Carlo also increases the expressivity of shallow quantum circuits, allowing more accurate computation that is conventionally achievable only with much deeper circuits. We numerically test and verify the method for the N$_2$ molecule (12 qubits) and the Hubbard model (16 qubits). Our work paves the way to solving practical problems with intermediate-scale and early-fault tolerant quantum computers, with potential applications in chemistry, condensed matter physics, materials, high energy physics, etc.

arXiv:2206.10431Physical Review AJul 21, 202511 citations

Error-resilient Monte Carlo quantum simulation of imaginary time

Mingxia Huo, Ying Li

Computing the ground-state properties of quantum many-body systems is a promising application of near-term quantum hardware with a potential impact in many fields. The conventional algorithm quantum phase estimation uses deep circuits and requires fault-tolerant technologies. Many quantum simulation algorithms developed recently work in an inexact and variational manner to exploit shallow circuits. In this work, we combine quantum Monte Carlo with quantum computing and propose an algorithm for simulating the imaginary-time evolution and solving the ground-state problem. By sampling the real-time evolution operator with a random evolution time according to a modified Cauchy-Lorentz distribution, we can compute the expected value of an observable in imaginary-time evolution. Our algorithm approaches the exact solution given a circuit depth increasing polylogarithmically with the desired accuracy. Compared with quantum phase estimation, the Trotter step number, i.e. the circuit depth, can be thousands of times smaller to achieve the same accuracy in the ground-state energy. We verify the resilience to Trotterisation errors caused by the finite circuit depth in the numerical simulation of various models. The results show that Monte Carlo quantum simulation is promising even without a fully fault-tolerant quantum computer.Computing the ground-state properties of quantum many-body systems is a promising application of near-term quantum hardware with a potential impact in many fields. The conventional algorithm quantum phase estimation uses deep circuits and requires fault-tolerant technologies. Many quantum simulation algorithms developed recently work in an inexact and variational manner to exploit shallow circuits. In this work, we combine quantum Monte Carlo with quantum computing and propose an algorithm for simulating the imaginary-time evolution and solving the ground-state problem. By sampling the real-time evolution operator with a random evolution time according to a modified Cauchy-Lorentz distribution, we can compute the expected value of an observable in imaginary-time evolution. Our algorithm approaches the exact solution given a circuit depth increasing polylogarithmically with the desired accuracy. Compared with quantum phase estimation, the Trotter step number, i.e. the circuit depth, can be thousands of times smaller to achieve the same accuracy in the ground-state energy. We verify the resilience to Trotterisation errors caused by the finite circuit depth in the numerical simulation of various models. The results show that Monte Carlo quantum simulation is promising even without a fully fault-tolerant quantum computer.

arXiv:2109.07807QuantumFeb 9, 202322 citations

Mitigating sign problem by automatic differentiation

Zhou‐Quan Wan, Shi‐Xin Zhang, Hong Yao

As an intrinsically-unbiased method, quantum Monte Carlo (QMC) is of unique importance in simulating interacting quantum systems. Unfortunately, QMC often suffers from the notorious sign problem. Although generically curing sign problem is shown to be hard (NP-hard), sign problem of a given quantum model may be mitigated (sometimes even cured) by finding better choices of simulation scheme. A universal framework in identifying optimal QMC schemes has been desired. Here, we propose a general framework using differentiation (AD) to automatically search for the best continuously-parameterized QMC scheme, which we call automatic differentiable sign mitigation (ADSM). We further apply the ADSM framework to the honeycomb lattice Hubbard model with Rashba spin-orbit coupling and demonstrate ADSM's effectiveness in mitigating its sign problem. For the model under study, ADSM leads a significant power-law acceleration in computation time (the computation time is reduced from $M$ to the order of $M^{\nu}$ with $\nu\approx 2/3$ ).As an intrinsically-unbiased method, quantum Monte Carlo (QMC) is of unique importance in simulating interacting quantum systems. Unfortunately, QMC often suffers from the notorious sign problem. Although generically curing sign problem is shown to be hard (NP-hard), sign problem of a given quantum model may be mitigated (sometimes even cured) by finding better choices of simulation scheme. A universal framework in identifying optimal QMC schemes has been desired. Here, we propose a general framework using differentiation (AD) to automatically search for the best continuously-parameterized QMC scheme, which we call automatic differentiable sign mitigation (ADSM). We further apply the ADSM framework to the honeycomb lattice Hubbard model with Rashba spin-orbit coupling and demonstrate ADSM's effectiveness in mitigating its sign problem. For the model under study, ADSM leads a significant power-law acceleration in computation time (the computation time is reduced from $M$ to the order of $M^{\nu}$ with $\nu\approx 2/3$).

Oct 2, 20208 citations

Trotter error mitigation by error profiling with shallow quantum circuit

Sangjin Lee, Young‐Seok Kim, Seungwoo Lee

Understanding the dynamics of quantum systems is crucial in many areas of physics, but simulating many-body systems presents significant challenges due to the large Hilbert space to navigate and the exponential growth of computational overhead. Quantum computers offer a promising platform to overcome these challenges, particularly for simulating the time evolution with Hamiltonians. Trotterization is a widely used approach among available algorithms in this regard, and well suited for near-term quantum devices. However, it introduces algorithmic Trotter errors due to the non-commutativity of Hamiltonian components. Several techniques such as multi-product formulas have been developed to mitigate Trotter errors, but often require deep quantum circuits, which can introduce additional physical errors. In this work, we propose a resource-efficient scheme to reduce the algorithmic Trotter error with relatively shallow circuit depth. We develop a profiling method by introducing an auxiliary parameter to estimate the error effects in expectation values, enabling significant error suppression with a fixed number of Trotter steps. Our approach offers an efficient way of quantum simulation on near-term quantum processors with shallow circuits.Understanding the dynamics of quantum systems is crucial in many areas of physics, but simulating many-body systems presents significant challenges due to the large Hilbert space to navigate and the exponential growth of computational overhead. Quantum computers offer a promising platform to overcome these challenges, particularly for simulating the time evolution with Hamiltonians. Trotterization is a widely used approach among available algorithms in this regard, and well suited for near-term quantum devices. However, it introduces algorithmic Trotter errors due to the non-commutativity of Hamiltonian components. Several techniques such as multi-product formulas have been developed to mitigate Trotter errors, but often require deep quantum circuits, which can introduce additional physical errors. In this work, we propose a resource-efficient scheme to reduce the algorithmic Trotter error with relatively shallow circuit depth. We develop a profiling method by introducing an auxiliary parameter to estimate the error effects in expectation values, enabling significant error suppression with a fixed number of Trotter steps. Our approach offers an efficient way of quantum simulation on near-term quantum processors with shallow circuits.

arXiv:2503.09710Mar 12, 20250 citations

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molecule (12 qubits) and the Hubbard model (16 qubits). Our work paves the way to solving practical problems with intermediate-scale and early-fault tolerant quantum computers, with potential applications in chemistry, condensed matter physics, materials, high energy physics, etc.

M

to the order of

M^{\nu}

with

\nu\approx 2/3