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arXiv:2103.13962 · Physical Review A

Classical simulation of quantum circuits using a multiqubit Bloch vector representation of density matrices

Qunsheng Huang, Christian B. Mendl

Published Feb 9, 2022• 5 citations
arXivHTMLPDF

Abstract

In the Bloch sphere picture, one finds the coefficients for expanding a single-qubit density operator in terms of the identity and Pauli matrices. A generalization to $n$ qubits via tensor products represents a density operator by a real vector of length ${4}^{n}$, conceptually similar to a state vector. Here, we study this approach for the purpose of quantum circuit simulation, including noise processes. The tensor structure leads to computationally efficient algorithms for applying circuit gates and performing few-qubit quantum operations. In view of variational circuit optimization, we study ``backpropagation'' through a quantum circuit and gradient computation based on this representation, and generalize our analysis to the Lindblad equation for modeling the (nonunitary) time evolution of a density operator.

DOI
10.1103/physreva.105.022409

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As quantum devices grow in size while remaining affected by noise, a key challenge is to determine when and how they can surpass classical computation on practical tasks. This requires the development of highly efficient classical simulation algorithms. Pauli backpropagation algorithms are among the most promising, having shown efficiency in simulating certain classes of parameterized quantum circuits, strong candidates for near‑term quantum advantage, under random circuit assumptions and depolarizing noise. However, their efficiency had not been demonstrated for more realistic nonunital noise models, such as amplitude damping, which better capture the behaviour of current hardware. We close this gap by adapting Pauli backpropagation to most single‑qubit noise channels, including nonunital noise, and proving that it remains efficient under these conditions. Our algorithm is parallelizable, memory‑efficient, and requires no assumptions on the locality of the observable, the geometry of the hardware, or the depth of the circuit. While hardware noise can strongly affect computational power in highly structured, fault‑tolerant circuits, our findings indicate little difference for most near‑term variational architectures. This establishes Pauli backpropagation as an efficient method for simulating noisy quantum devices under realistic noise assumptions.While these advances improve our ability to reproduce noisy expectation values of observables, many practical applications, including combinatorial optimization, require direct access to the bitstrings output by quantum circuits, as these encode candidate solutions. Classical replication of such noisy samples has so far been limited beyond the random circuit setting. To bridge this gap, we first focus on problems whose objective functions depend only on two‑body correlations, such as Max‑Cut, and apply Gaussian randomized rounding to the circuit's two‑qubit marginals. This produces classical samples whose expected cost is provably close to that of the noisy quantum device. Large‑scale simulations and experiments on IBMQ hardware confirm that the rounded samples reproduce the full energy distribution, with similar behaviour under various noise models. Coupled with Pauli backpropagation for efficiently estimating noisy marginals, this yields an end‑to‑end classical sampler operating in polynomial time for a broad class of variational circuits. Our results therefore show that sufficiently noisy quantum circuits for combinatorial optimization can be sampled from classically, clarifying where near‑term hardware may or may not outperform classical algorithms.Finally , we go beyond one and two‑body marginals and present an algorithm that samples valid bitstrings directly from a maximum‑entropy distribution matching the given expectation values of the quantum circuit. This method does not rely on the locality or sparsity of the problem's Hamiltonian and performs well across a variety of quantum circuits, including deep circuits on many qubits. When combined with Pauli propagation or error mitigation, it provides a practical pipeline for obtaining samples from quantum circuits in the near term, where full error correction might not yet be available.

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In the Bloch sphere picture, one finds the coefficients for expanding a single-qubit density operator in terms of the identity and Pauli matrices. A generalization to nnn qubits via tensor products represents a density operator by a real vector of length 4n{4}^{n}4n, conceptually similar to a state vector. Here, we study this approach for the purpose of quantum circuit simulation, including noise processes. The tensor structure leads to computationally efficient algorithms for applying circuit gates and performing few-qubit quantum operations. In view of variational circuit optimization, we study ``backpropagation'' through a quantum circuit and gradient computation based on this representation, and generalize our analysis to the Lindblad equation for modeling the (nonunitary) time evolution of a density operator.
Variational quantum algorithms are promising tools whose efficacy depends on their optimization method. For noise-free unitary circuits, the quantum generalization of natural gradient descent has been introduced and shown to be equivalent to imaginary time evolution: the approach is effective due to a metric tensor reconciling the classical parameter space to the device's Hilbert space. Here we generalize quantum natural gradient to consider arbitrary quantum states (both mixed and pure) via completely positive maps; thus our circuits can incorporate both imperfect unitary gates and fundamentally nonunitary operations such as measurements. We employ the quantum Fisher information (QFI) as the core metric in the space of density operators. A modification of the error suppression by derangements (ESD) and virtual distillation (VD) techniques enables an accurate and experimentally efficient approximation of the QFI via the Hilbert-Schmidt metric tensor using prior results on the dominant eigenvector of noisy quantum states. Our rigorous proof also establishes the fundamental observation that the geometry of typical noisy quantum states is (approximately) identical in either the Hilbert-Schmidt metric or as characterized by the QFI. In numerical simulations of noisy quantum circuits we demonstrate the practicality of our approach and confirm it can significantly outperform other variational techniques.
Classical simulations of noisy quantum circuits are instrumental to our understanding of the behavior of real-world quantum systems and the identification of regimes where one expects quantum advantage. In this work, we present a highly parallelizable tensor-network-based classical algorithm, equipped with rigorous accuracy guarantees, for simulating n -qubit quantum circuits with arbitrary single-qubit noise. Our algorithm represents the state of a noisy quantum system by a particular ensemble of matrix product states from which we stochastically sample. Each pure state evolved under a single-qubit noise process is then represented by the ensemble of states that achieves the minimal average entanglement (the entanglement of formation) between the noisy qubit and the remainder. This approach lets us use a more compact representation of the quantum state for a given accuracy requirement and noise level. For a given maximum bond dimension χ and circuit, our algorithm comes with an upper bound on the simulation error, runs in poly ( n , χ ) -time, and improves upon related prior work (1) in scope by extending analytic methods from the three commonly considered noise models to general single-qubit noise, (2) in performance by deriving an exact, closed-form solution to the local entanglement minimization problem, previously approached via variational heuristics, thereby guaranteeing local optimality without numerical optimization overhead, and (3) in conceptual contribution by showing that the fixed unraveling used in prior work becomes equivalent to our choice of unraveling in the special case of depolarizing, dephasing, and amplitude damping noise acting on a maximally entangled state.
Due to the unreliability and limited capacity of existing quantum computer prototypes, quantum circuit simulation continues to be a vital tool for validating next generation quantum computers and for studying variational quantum algorithms, which are among the leading candidates for useful quantum computation. Existing quantum circuit simulators do not address the common traits of variational algorithms, namely: 1) their ability to work with noisy qubits and operations, 2) their repeated execution of the same circuits but with different parameters, and 3) the fact that they sample from circuit final wavefunctions to drive a classical optimization routine. We present a quantum circuit simulation toolchain based on logical abstractions targeted for simulating variational algorithms. Our proposed toolchain encodes quantum amplitudes and noise probabilities in a probabilistic graphical model, and it compiles the circuits to logical formulas that support efficient repeated simulation of and sampling from quantum circuits for different parameters. Compared to state-of-the-art state vector and density matrix quantum circuit simulators, our simulation approach offers greater performance when sampling from noisy circuits with at least eight to 20 qubits and with around 12 operations on each qubit, making the approach ideal for simulating near-term variational quantum algorithms. And for simulating noise-free shallow quantum circuits with 32 qubits, our simulation approach offers a 66× reduction in sampling cost versus quantum circuit simulation techniques based on tensor network contraction.
Abstract Based oh the properties of Lie algebras, in this work we develop a general framework to linearize the von Neumann equation rendering it in a suitable form for quantum simulations. Departing from the conventional method of expanding the density matrix in the Liouville space formed by matrices unit we express the von Neumann equation in terms of Pauli strings. This provides several advantages related to the quantum tomography of the density matrix and the formulation of the unitary gates that generate the time evolution. The use of Pauli strings facilitates the quantum tomography of the density matrix whose elements are purely real. As for any other basis of Hermitian matrices, this eliminates the need to calculate the phase of the complex entries of the density matrix. This approach also enables to express the evolution operator as a sequence of commuting Hamiltonian gates of Pauli strings that can readily be synthetized using Clifford gates. Additionally, the fact that these gates commute with each other along with the unique properties of the algebra formed by Pauli strings allows to avoid the use of Trotterization hence considerably reducing the circuit depth. The algorithm is demonstrated for three Hamiltonians using the IBM noisy quantum circuit simulator.
As quantum devices grow in size while remaining affected by noise, a key challenge is to determine when and how they can surpass classical computation on practical tasks. This requires the development of highly efficient classical simulation algorithms. Pauli backpropagation algorithms are among the most promising, having shown efficiency in simulating certain classes of parameterized quantum circuits, strong candidates for near‑term quantum advantage, under random circuit assumptions and depolarizing noise. However, their efficiency had not been demonstrated for more realistic nonunital noise models, such as amplitude damping, which better capture the behaviour of current hardware. We close this gap by adapting Pauli backpropagation to most single‑qubit noise channels, including nonunital noise, and proving that it remains efficient under these conditions. Our algorithm is parallelizable, memory‑efficient, and requires no assumptions on the locality of the observable, the geometry of the hardware, or the depth of the circuit. While hardware noise can strongly affect computational power in highly structured, fault‑tolerant circuits, our findings indicate little difference for most near‑term variational architectures. This establishes Pauli backpropagation as an efficient method for simulating noisy quantum devices under realistic noise assumptions.While these advances improve our ability to reproduce noisy expectation values of observables, many practical applications, including combinatorial optimization, require direct access to the bitstrings output by quantum circuits, as these encode candidate solutions. Classical replication of such noisy samples has so far been limited beyond the random circuit setting. To bridge this gap, we first focus on problems whose objective functions depend only on two‑body correlations, such as Max‑Cut, and apply Gaussian randomized rounding to the circuit's two‑qubit marginals. This produces classical samples whose expected cost is provably close to that of the noisy quantum device. Large‑scale simulations and experiments on IBMQ hardware confirm that the rounded samples reproduce the full energy distribution, with similar behaviour under various noise models. Coupled with Pauli backpropagation for efficiently estimating noisy marginals, this yields an end‑to‑end classical sampler operating in polynomial time for a broad class of variational circuits. Our results therefore show that sufficiently noisy quantum circuits for combinatorial optimization can be sampled from classically, clarifying where near‑term hardware may or may not outperform classical algorithms.Finally , we go beyond one and two‑body marginals and present an algorithm that samples valid bitstrings directly from a maximum‑entropy distribution matching the given expectation values of the quantum circuit. This method does not rely on the locality or sparsity of the problem's Hamiltonian and performs well across a variety of quantum circuits, including deep circuits on many qubits. When combined with Pauli propagation or error mitigation, it provides a practical pipeline for obtaining samples from quantum circuits in the near term, where full error correction might not yet be available.