Simulating the dynamics of many-body quantum systems is believed to be one of the first fields that quantum computers can show a quantum advantage over classical computers. Noisy intermediate-scale quantum (NISQ) algorithms aim at effectively using the currently available quantum hardware. For quantum simulation, various types of NISQ algorithms have been proposed with individual advantages as well as challenges. In this work, we propose a new algorithm, truncated Taylor quantum simulator (TTQS), that shares the advantages of existing algorithms and alleviates some of the shortcomings. Our algorithm does not have any classical-quantum feedback loop and bypasses the barren plateau problem by construction. The classical part in our hybrid quantum-classical algorithm corresponds to a quadratically constrained quadratic program (QCQP) with a single quadratic equality constraint, which admits a semidefinite relaxation. The QCQP based classical optimization was recently introduced as the classical step in quantum assisted eigensolver (QAE), a NISQ algorithm for the Hamiltonian ground state problem. Thus, our work provides a conceptual unification between the NISQ algorithms for the Hamiltonian ground state problem and the Hamiltonian simulation. We recover differential equation-based NISQ algorithms for Hamiltonian simulation such as quantum assisted simulator (QAS) and variational quantum simulator (VQS) as particular cases of our algorithm. We test our algorithm on some toy examples on current cloud quantum computers. We also provide a systematic approach to improve the accuracy of our algorithm.
We describe a simple, efficient method for simulating Hamiltonian dynamics on a quantum computer by approximating the truncated Taylor series of the evolution operator. Our method can simulate the time evolution of a wide variety of physical systems. As in another recent algorithm, the cost of our method depends only logarithmically on the inverse of the desired precision, which is optimal. However, we simplify the algorithm and its analysis by using a method for implementing linear combinations of unitary operations to directly apply the truncated Taylor series.
We describe an improved version of the quantum simulation method based on the implementation of a truncated Taylor series of the evolution operator. The idea is to add an extra step to the previously known algorithm which implements an operator that corrects the weightings of the Taylor series. This way, the desired accuracy is achieved with an improvement in the overall complexity of the algorithm. This quantum simulation method is applicable to a wide range of Hamiltonians of interest, including to quantum chemistry problems.
The Poisson equation has many applications across the broad areas of science and engineering. Most quantum algorithms for the Poisson solver presented so far, either suffer from lack of accuracy and/or are limited to very small sizes of the problem, and thus have no practical usage. Here we present an advanced quantum algorithm for solving the Poisson equation with high accuracy and dynamically tunable problem size. After converting the Poisson equation to the linear systems through the finite difference method, we adopt the Harrow-Hassidim-Lloyd (HHL) algorithm as the basic framework. Particu…
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…
Istanbul Medeniyet University（伊斯坦布尔梅德尼耶大学）；Purdue University（普渡大学）
In this paper, we present a method for the Hamiltonian simulation in the context of eigenvalue estimation problems which improves earlier results dealing with Hamiltonian simulation through the truncated Taylor series. In particular, we present a fixed-quantum circuit design for the simulation of the Hamiltonian dynamics, $H(t)$, through the truncated Taylor series method described by Berry et al. \cite{berry2015simulating}. The circuit is general and can be used to simulate any given matrix in the phase estimation algorithm by only changing the angle values of the quantum gates implementing t…
A highly anticipated use of quantum computers is the simulation of complex quantum systems including molecules and other many-body systems. One promising method involves directly applying a linear combination of unitaries (LCU) to approximate a Taylor series by truncating after some order. Here we present an adaptation of that method, optimized for Hamiltonians with terms of widely varying magnitude, as is commonly the case in electronic structure calculations. We show that it is more efficient to apply LCU using a truncation that retains larger magnitude terms as determined by an iterative pr…
The accelerated progress in manufacturing noisy intermediate-scale quantum (NISQ) computing hardware has opened the possibility of exploring its application in transforming approaches to solving computationally challenging problems. The important limitations common among all NISQ computing technologies are the absence of error correction and the short coherence time, which limit the computational power of these systems. Shortening the required time of a single run of a quantum algorithm is essential for reducing environment-induced errors and for the efficiency of the computation. We have inve…
The algorithmic error of digital quantum simulations is usually explored in terms of the spectral norm distance between the actual and ideal evolution operators. In practice, this worst-case error analysis may be unnecessarily pessimistic. To address this, we develop a theory of average-case performance of Hamiltonian simulation with random initial states. We relate the average-case error to the Frobenius norm of the multiplicative error and give upper bounds for the product formula (PF) and truncated Taylor series methods. As applications, we estimate average-case error for digital Hamiltonia…
Black-box quantum state preparation is a fundamental building block for many higher-level quantum algorithms, which is applied to transduce the data from computational basis into amplitude. Here we present a new algorithm for performing black-box state preparation with inverse coefficients based on the technique of inequality test. This algorithm can be used as a subroutine to perform the controlled rotation stage of the Harrow-Hassidim-Lloyd (HHL) algorithm and the associated matrix inversion algorithms with exceedingly low cost. Furthermore, we extend this approach to address the general bla…
We introduce novel algorithms for the quantum simulation of molecular systems which are asymptotically more efficient than those based on the Trotter-Suzuki decomposition. We present the first application of a recently developed technique for simulating Hamiltonian evolution using a truncated Taylor series to obtain logarithmic scaling with the inverse of the desired precision, an exponential improvement over all prior methods. The two algorithms developed in this work rely on a second quantized encoding of the wavefunction in which the state of an $N$ spin-orbital system is encoded in ${\cal …
We show how series expansions of functions of bosonic number operators are naturally derived from finite-difference calculus. The scheme employs Newton series rather than Taylor series known from differential calculus, and also works in cases where the Taylor expansion fails. For a function of number operators, such an expansion is automatically normal ordered. Applied to the Holstein-Primakoff representation of spins, the scheme yields an exact series expansion with a finite number of terms and, in addition, allows for a systematic expansion of the spin operators that respects the spin commut…
We present a quantum algorithm for simulating the dynamics of a first-quantized Hamiltonian in real space based on the truncated Taylor series algorithm. We avoid the possibility of singularities by applying various cutoffs to the system and using a high-order finite difference approximation to the kinetic energy operator. We find that our algorithm can simulate $η$ interacting particles using a number of calculations of the pairwise interactions that scales, for a fixed spatial grid spacing, as $\tilde{O}(η^2)$, versus the $\tilde{O}(η^5)$ time required by previous methods (assuming the numbe…
Quantum computing can efficiently simulate Hamiltonian dynamics of many-body quantum physics, a task that is generally intractable with classical computers. The hardness lies at the ubiquitous anti-commutative relations of quantum operators, in corresponding with the notorious negative sign problem in classical simulation. Intuitively, Hamiltonians with more commutative terms are also easier to simulate on a quantum computer, and anti-commutative relations generally cause more errors, such as in the product formula method. Here, we theoretically explore the role of anti-commutative relation in…
We present a quantum algorithm for the simulation of molecular systems that is asymptotically more efficient than all previous algorithms in the literature in terms of the main problem parameters. As in previous work [Babbush et al., New Journal of Physics 18, 033032 (2016)], we employ a recently developed technique for simulating Hamiltonian evolution, using a truncated Taylor series to obtain logarithmic scaling with the inverse of the desired precision. The algorithm of this paper involves simulation under an oracle for the sparse, first-quantized representation of the molecular Hamiltonian…
