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 the time variable $t$ in the series. The circuit complexity depends on the number of summation terms composing the Hamiltonian and requires $O(Ln)$ number of quantum gates for the simulation of a molecular Hamiltonian. Here, $n$ is the number of states of a spin orbital, and $L$ is the number of terms in the molecular Hamiltonian and generally bounded by $O(n^4)$. We also discuss how to use the circuit in adaptive processes and eigenvalue related problems along with a slight modified version of the iterative phase estimation algorithm. In addition, a simple divide and conquer method is presented for mapping a matrix which are not given as sums of unitary matrices into the circuit. The complexity of the circuit is directly related to the structure of the matrix and can be bounded by $O(poly(n))$ for a matrix with $poly(n)-$sparsity.
We provide a general method for efficiently simulating time-dependent Hamiltonian dynamics on a circuit-model based quantum computer. Our approach is based on approximating the truncated Dyson series of the evolution operator, extending the earlier proposal by Berry to evolution generated by explicitly time-dependent Hamiltonians. Two alternative strategies are proposed to implement time ordering while exploiting the superposition principle for sampling the Hamiltonian at different times. The resource cost of our simulation algorithm retains the optimal logarithmic dependence on the inverse of…
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.
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…
In this paper we reconsider the notion of an optimal effective Hamiltonian for the semiclassical propagation of the Wigner distribution in phase space. An explicit expression for the optimal effective Hamiltonian is obtained in the short time limit by minimizing the Hilbert-Schmidt distance between the semiclassical approximation and the real state of the system. The method is illustrated for the quartic oscillator.
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 alg…
In a gas of $N$ weakly interacting bosons \cite{Bogo1, Bogo2}, a truncated canonic Hamiltonian $\widetilde{h}_c$ follows from dropping all the interaction terms between free bosons with momentum $\hbar\mathbf{k}\ne\mathbf{0}$. Bogoliubov Canonic Approximation (BCA) is a further manipulation, replacing the number \emph{operator} $\widetilde{N}_{in}$ of free particles in $\mathbf{k}=\mathbf{0}$, with the total number $N$ of bosons. BCA transforms $\widetilde{h}_c$ into a different Hamiltonian $H_{BCA}=\sum_{\mathbf{k}\ne\mathbf{0}}ε(k)B^\dagger_\mathbf{k}B_\mathbf{k}+const$, where $B^\dagger_\ma…
We derive the Hamiltonian of a superconducting circuit that comprises a single-Josephson-junction flux qubit inductively coupled to an LC oscillator, and we compare the derived circuit Hamiltonian with the quantum Rabi Hamiltonian, which describes a two-level system coupled to a harmonic oscillator. We show that there is a simple, intuitive correspondence between the circuit Hamiltonian and the quantum Rabi Hamiltonian. While there is an overall shift of the entire spectrum, the energy level structure of the circuit Hamiltonian up to the seventh excited states can still be fitted well by the q…
The circuit-to-Hamiltonian construction translates dynamics (a quantum circuit and its output) into statics (the groundstate of a circuit Hamiltonian) by explicitly defining a quantum register for a clock. The standard Feynman-Kitaev construction uses one global clock for all qubits while we consider a different construction in which a clock is assigned to each interacting qubit. This makes it possible to capture the spatio-temporal structure of the original quantum circuit into features of the circuit Hamiltonian. The construction is inspired by the original two-dimensional interacting fermio…
Many applications of practical interest rely on time evolution of Hamiltonians that are given by a sum of Pauli operators. Quantum circuits for exact time evolution of single Pauli operators are well known, and can be extended trivially to sums of commuting Paulis by concatenating the circuits of individual terms. In this paper we reduce the circuit complexity of Hamiltonian simulation by partitioning the Pauli operators into mutually commuting clusters and exponentiating the elements within each cluster after applying simultaneous diagonalization. We provide a practical algorithm for partitio…
We analyze three different quantum search algorithms, the traditional Grover's algorithm, its continuous-time analogue by Hamiltonian evolution, and finally the quantum search by local adiabatic evolution. We show that they are closely related algorithms in the sense that they all perform a rotation, at a constant angular velocity, from a uniform superposition of all states to the solution state. This make it possible to implement the last two algorithms by Hamiltonian evolution on a conventional quantum circuit, while keeping the quadratic speedup of Grover's original algorithm.
Electronic structure simulation is an anticipated application for quantum computers. Due to high-dimensional quantum entanglement in strongly correlated systems, the quantum resources required to perform such simulations are far beyond the capacity of current quantum devices. To reduce the quantum circuit complexity, it has been suggested to incorporate a part of the electronic correlation into an effective Hamiltonian, which is often obtained from a similarity transformation of the electronic Hamiltonian. In this work, we introduce a new transformation in the form of a product of a linear com…
The circuit-to-Hamiltonian construction has found widespread use within the field of Hamiltonian complexity, particularly for proving QMA-hardness results. In this work we examine the ground state energies of the Hamiltonian for standard clock constructions and those which require dynamic initialisation. We put exponentially tight bounds on these ground state energies and also determine improved scaling bounds in the case where there is a constant probability of the computation being rejected. Furthermore, we prove a collection of results concerning the low-energy subspace of quantum walks on …
Unitary evolution under a time dependent Hamiltonian is a key component of simulation on quantum hardware. Synthesizing the corresponding quantum circuit is typically done by breaking the evolution into small time steps, also known as Trotterization, which leads to circuits whose depth scales with the number of steps. When the circuit elements are limited to a subset of SU(4) -- or equivalently, when the Hamiltonian may be mapped onto free fermionic models -- several identities exist that combine and simplify the circuit. Based on this, we present an algorithm that compresses the Trotter steps…
We analyze whether circuit-QED Hamiltonians are stoquastic focusing on systems of coupled flux qubits: we show that scalable sign-problem free path integral Monte Carlo simulations can typically be performed for such systems. Despite this, we corroborate the recent finding [arXiv:1903.06139] that an effective, non-stoquastic qubit Hamiltonian can emerge in a system of capacitively coupled flux qubits. We find that if the capacitive coupling is sufficiently small, this non-stoquasticity of the effective qubit Hamiltonian can be avoided if we perform a canonical transformation prior to projectin…
This work proposes numerical tests which determine whether a two-qubit operator has an atypically simple quantum circuit. Specifically, we describe formulae, written in terms of matrix coefficients, characterizing operators implementable with exactly zero, one, or two controlled-not (CNOT) gates and all other gates being one-qubit. We give an algorithm for synthesizing two-qubit circuits with optimal number of CNOT gates, and illustrate it on operators appearing in quantum algorithms by Deutsch-Josza, Shor and Grover. In another application, our explicit numerical tests allow timing a given Ha…
Efficient Quantum Circuit Construction of Controlled Time-Evolution for Arbitrary Pauli-Sum Hamiltonians
Faculty of Engineering, Yokohama National University（横滨国立大学工学部）；Department of Applied Physics and Physico-Informatics, Keio University（庆应义塾大学应用物理·物理信息系）
This work develops and illustrates a new method of calculating "chemically accurate" electronic wavefunctions (and energies) via a truncated full configuration interaction (CI) procedure which arguably circumvents the large matrix diagonalization that is the core problem of full CI and is also central to modern selective CI approaches. This is accomplished simply by following the standard/ubiquitous Davidson method in its "direct" form -- wherein, in each iteration, the electronic Hamiltonian operator is applied directly in second quantization to the Ritz vector/wavefunction from the prior ite…
Quantum computing is a promising technology that harnesses the peculiarities of quantum mechanics to deliver computational speedups for some problems that are intractable to solve on a classical computer. Current generation noisy intermediate-scale quantum (NISQ) computers are severely limited in terms of chip size and error rates. Shallow quantum circuits with uncomplicated topologies are essential for successful applications in the NISQ era. Based on matrix analysis, we derive localized circuit transformations to efficiently compress quantum circuits for simulation of certain spin Hamiltonia…
The time or cost of simulating a quantum circuit by adiabatic evolution is determined by the spectral gap of the Hamiltonians involved in the simulation. In "standard" constructions based on Feynman's Hamiltonian, such a gap decreases polynomially with the number of gates in the circuit, L. Because a larger gap implies a smaller cost, we study the limits of spectral gap amplification in this context. We show that, under some assumptions on the ground states and the cost of evolving with the Hamiltonians (which apply to the standard constructions), an upper bound on the gap of order 1/L follows…
All Hamiltonian complexity results to date have been proven by constructing a local Hamiltonian whose ground state -- or at least some low-energy state -- is a "computational history state", encoding a quantum computation as a superposition over the history of the computation. We prove that all history-state Hamiltonians must be critical. More precisely, for any circuit-to-Hamiltonian mapping that maps quantum circuits to local Hamiltonians with low-energy history states, there is an increasing sequence of circuits that maps to a growing sequence of Hamiltonians with spectral gap closing at le…
Circuit Depth Reduction for Executable Hamiltonian Dynamics of Covalent Inhibitor Reactivity on Quantum Hardware
Capgemini Quantum Lab（凯捷量子实验室）；IBM T. J. Watson Research Center（IBM T.J.沃森研究中心）；Haiqu Inc.（海奇公司）；IBM Quantum IBM France Lab（IBM量子法国实验室）；GSK Medicines Research Centre（葛兰素史克药物研究中心）
The butterfly velocity $v_B$ has been proposed as a characteristic velocity for information propagation in local systems. It can be measured by the ballistic spreading of local operators in time (or, equivalently, by out-of-time-ordered commutators). In general, this velocity can depend on the direction of spreading and, indeed, the asymmetry between different directions can be made arbitrarily large using arbitrarily deep quantum circuits. Nevertheless, in almost all examples of local time-independent Hamiltonians that have been examined thus far, this velocity is independent of the direction…
The quantum dynamics of a driven single-band tight-binding model with different boundary conditions is considered. The relation between the Hamiltonian describing the single-band tight-binding dynamics and the Hamiltonian of a discrete-charge mesoscopic quantum circuit is elucidated. It is shown that the former Hamiltonian, with Dirichlet boundary conditions, can be considered as a realization of the deformed parafermionic polynomial algebras.
Systematic Construction of Time-Dependent Hamiltonians for Microwave-Driven Josephson Circuits
Yale University（耶鲁大学）；Fermi National Accelerator Laboratory (FNAL)（费米国家加速器实验室）；Northwestern University（西北大学）；Brookhaven National Laboratory（布鲁克海文国家实验室）
We show how to perform universal adiabatic quantum computation using a Hamiltonian which describes a set of particles with local interactions on a two-dimensional grid. A single parameter in the Hamiltonian is adiabatically changed as a function of time to simulate the quantum circuit. We bound the eigenvalue gap above the unique groundstate by mapping our model onto the ferromagnetic XXZ chain with kink boundary conditions; the gap of this spin chain was computed exactly by Koma and Nachtergaele using its $q$-deformed version of SU(2) symmetry. We also discuss a related time-independent Hamil…
Feynman's circuit-to-Hamiltonian construction connects quantum computation and ground states of many-body quantum systems. Kitaev applied this construction to demonstrate QMA-completeness of the local Hamiltonian problem, and Aharanov et al. used it to show the equivalence of adiabatic computation and the quantum circuit model. In this work, we analyze the low energy properties of a class of modified circuit Hamiltonians, which include features like complex weights and branching transitions. For history states with linear clocks and complex weights, we develop a method for modifying the circui…
Time-dependent Hamiltonian simulation (TDHS) is a critical task in quantum computing. Existing algorithms are generally biased with a small algorithmic error $\varepsilon$, and the gate complexity scales as $O(\text{poly}(1/\varepsilon))$ for product formula-based methods and could be improved to be polylogarithmic with complicated circuit constructions. Here, we develop an unbiased random compiler for TDHS by combining Dyson expansion, an unbiased continuous sampling method for quantum evolution, and leading order rotations, and it is free from algorithmic errors. Our method has the single- a…
