Approximating Hamiltonian dynamics with the Nyström method
INRIA（法国国家信息与自动化研究所）；University College London（伦敦大学学院）；Rahko Ltd.（拉赫科有限公司）；University of Texas at Austin（得克萨斯大学奥斯汀分校）；University of Oxford（牛津大学）；IIT（意大利理工学院）
Alessandro Rudi, Leonard Wossnig, Carlo Ciliberto, Andrea Rocchetto, Massimiliano Pontil, Simone Severini
备注：
v2: 22 pages, fixed typos in Eq.27 and 28 + other minor changes to the presentation of the results; v3 final version accepted to Quantum; v4 DOIs added in order to comply with Quantum requirements
Simulating the time-evolution of quantum mechanical systems is BQP-hard and expected to be one of the foremost applications of quantum computers. We consider classical algorithms for the approximation of Hamiltonian dynamics using subsampling methods from randomized numerical linear algebra. We derive a simulation technique whose runtime scales polynomially in the number of qubits and the Frobenius norm of the Hamiltonian. As an immediate application, we show that sample based quantum simulation, a type of evolution where the Hamiltonian is a density matrix, can be efficiently classically simulated under specific structural conditions. Our main technical contribution is a randomized algorithm for approximating Hermitian matrix exponentials. The proof leverages a low-rank, symmetric approximation via the Nyström method. Our results suggest that under strong sampling assumptions there exist classical poly-logarithmic time simulations of quantum computations.
The interaction between an atom and a one mode external driving field is an ubiquitous problem in many branches of physics and is often modeled using the Rabi Hamiltonian. In this paper we present a series of analytically solvable Hamiltonians that approximate the Rabi Hamiltonian and compare our results to the Jaynes-Cummings model which neglects the so-called counter-rotating term in the Rabi Hamiltonian. Through a unitary transformation that diagonlizes the Jaynes-Cummings model, we transform the counter-rotating term into separate terms representing several different physical processes. By…
We analyze the error of approximating Gibbs states of local quantum spin Hamiltonians on lattices with Projected Entangled Pair States (PEPS) as a function of the bond dimension ($D$), temperature ($β^{-1}$), and system size ($N$). First, we introduce a compression method in which the bond dimension scales as $D=e^{O(\log^2(N/ε))}$ if $β<O(\log (N))$. Second, building on the work of Hastings [Phys. Rev. B 73, 085115 (2006)], we derive a polynomial scaling relation, $D=\left(N/ε\right)^{O(β)}$. This implies that the manifold of PEPS forms an efficient representation of Gibbs states of local qua…
The quantum k-Local Hamiltonian problem is a natural generalization of classical constraint satisfaction problems (k-CSP) and is complete for QMA, a quantum analog of NP. Although the complexity of k-Local Hamiltonian problems has been well studied, only a handful of approximation results are known. For Max 2-Local Hamiltonian where each term is a rank 3 projector, a natural quantum generalization of classical Max 2-SAT, the best known approximation algorithm was the trivial random assignment, yielding a 0.75-approximation. We present the first approximation algorithm beating this bound, a cla…
The fabrication, utilisation, and efficiency of quantum technologies rely on a good understanding of quantum thermodynamic properties. Many-body systems are often used as hardware for these quantum devices, but interactions between particles make the complexity of related calculations grow exponentially with the system size. Here we explore and systematically compare `simple' and `hybrid' approximations to the average work and entropy variation built on static density functional theory concepts. These approximations are computationally cheap and could be applied to large systems. We exemplify …
Approximating the operator norm of local Hamiltonians via few quantum states
Princeton University（普林斯顿大学）；California Institute of Technology（加州理工学院）；MSU（密歇根州立大学）；Hausdorff Center of Mathematics, Bonn（波恩豪斯多夫数学中心）；University of South Carolina（南卡罗来纳大学）
A (deterministic) polynomial-time algorithm is proposed for approximating the ground state of (general) one-dimensional gapped Hamiltonians. Let $ε,n,η$ be the energy gap, the system size, and the desired precision, respectively. Neglecting $ε$-dependent subpolynomial (in $n$) and constant factors, the running time of the algorithm is $n^{O(1)}$ for $η=n^{-O(1)}$.
Approximating ground and a fixed number of excited state energies, or equivalently low order Hamiltonian eigenvalues, is an important but computationally hard problem. Typically, the cost of classical deterministic algorithms grows exponentially with the number of degrees of freedom. Under general conditions, and using a perturbation approach, we provide a quantum algorithm that produces estimates of a constant number $j$ of different low order eigenvalues. The algorithm relies on a set of trial eigenvectors, whose construction depends on the particular Hamiltonian properties. We illustrate ou…
We present a quantum algorithm for approximating maximum independent sets of a graph based on quantum non-Abelian adiabatic mixing in the sub-Hilbert space of degenerate ground states, which generates quantum annealing in a secondary Hamiltonian. For both sparse and dense graphs, our quantum algorithm on average can find an independent set of size very close to $α(G)$, which is the size of the maximum independent set of a given graph $G$. Numerical results indicate that an $O(n^2)$ time complexity quantum algorithm is sufficient for finding an independent set of size $(1-ε)α(G)$. The best clas…
Many applications of quantum computing in the near term rely on variational quantum circuits (VQCs). They have been showcased as a promising model for reaching a quantum advantage in machine learning with current noisy intermediate scale quantum computers (NISQ). It is often believed that the power of VQCs relies on their exponentially large feature space, and extensive works have explored the expressiveness and trainability of VQCs in that regard. In our work, we propose a classical sampling method that may closely approximate a VQC with Hamiltonian encoding, given only the description of its…
Tensor network states are for good reasons believed to capture ground states of gapped local Hamiltonians arising in the condensed matter context, states which are in turn expected to satisfy an entanglement area law. However, the computational hardness of contracting projected entangled pair states in two and higher dimensional systems is often seen as a significant obstacle when devising higher-dimensional variants of the density-matrix renormalisation group method. In this work, we show that for those projected entangled pair states that are expected to provide good approximations of such g…
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 demonstrate that the dynamics of an open quantum system can be calculated efficiently and with predefined error, provided a basis exists in which the system-environment interactions are local and hence obey the Lieb-Robinson bound. We show that this assumption can generally be made. Defining a dynamical renormalization group transformation, we obtain an effective Hamiltonian for the full system plus environment that comprises only those environmental degrees of freedom that are within the effective light cone of the system. The reduced system dynamics can therefore be simulated with a compu…
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.
The DMRG method is very effective at finding ground states of 1D quantum systems in practice, but it is a heuristic method, and there is no known proof for when it works. In this paper we describe an efficient classical algorithm which provably finds a good approximation of the ground state of 1D systems under well defined conditions. More precisely, our algorithm finds a Matrix Product State of bond dimension $D$ whose energy approximates the minimal energy such states can achieve. The running time is exponential in D, and so the algorithm can be considered tractable even for D which is logar…
We consider quantum spin systems defined on finite sets $V$ equipped with a metric. In typical examples, $V$ is a large, but finite subset of Z^d. For finite range Hamiltonians with uniformly bounded interaction terms and a unique, gapped ground state, we demonstrate a locality property of the corresponding ground state projector. In such systems, this ground state projector can be approximated by the product of observables with quantifiable supports. In fact, given any subset, X, of V the ground state projector can be approximated by the product of two projections, one supported on X and one …
Phase diagrams chart material properties with respect to one or more external or internal parameters such as pressure or magnetisation; as such, they play a fundamental role in many theoretical and applied fields of science. In this work, we prove that provided the phase of the Hamiltonian at a finite size reflects the phase in the thermodynamic limit, approximating the critical boundary in its phase diagram to constant precision is $P^{QMA_{EXP}}$-complete. This holds even for translationally-invariant nearest neighbour couplings, and even if the system's phase diagram is promised to have a s…
We present a classical interactive protocol that verifies the validity of a quantum witness state for the local Hamiltonian problem. It follows from this protocol that approximating the non-local value of a multi-player one-round game to inverse polynomial precision is QMA-hard. Our work makes an interesting connection between the theory of QMA-completeness and Hamiltonian complexity on one hand and the study of non-local games and Bell inequalities on the other.
We prove that the theorems of TDDFT can be applied to a class of qubit Hamiltonians that are universal for quantum computation. The theorems of TDDFT applied to universal Hamiltonians imply that single-qubit expectation values can be used as the basic variables in quantum computation and information theory, rather than wavefunctions. From a practical standpoint this opens the possibility of approximating observables of interest in quantum computations directly in terms of single-qubit quantities (i.e. as density functionals). Additionally, we also demonstrate that TDDFT provides an exact presc…
We consider the task of approximating the ground state energy of two-local quantum Hamiltonians on bounded-degree graphs. Most existing algorithms optimize the energy over the set of product states. Here we describe a family of shallow quantum circuits that can be used to improve the approximation ratio achieved by a given product state. The algorithm takes as input an $n$-qubit product state $|v\rangle$ with mean energy $e_0=\langle v|H|v\rangle$ and variance $\mathrm{Var}=\langle v|(H-e_0)^2|v\rangle$, and outputs a state with an energy that is lower than $e_0$ by an amount proportional to $…
We propose a quantum-classical hybrid algorithm of the power method, here dubbed as quantum power method, to evaluate $\hat{\cal H}^n |ψ\rangle$ with quantum computers, where $n$ is a nonnegative integer, $\hat{\cal H}$ is a time-independent Hamiltonian of interest, and $|ψ\rangle$ is a quantum state. We show that the number of gates required for approximating $\hat{\cal H}^n$ scales linearly in the power and the number of qubits, making it a promising application for near term quantum computers. Using numerical simulation, we show that the power method can control systematic errors in approxi…
We consider the quantum complexity of computing Schatten $p$-norms and related quantities, and find that the problem of estimating these quantities is closely related to the one clean qubit model of computation. We show that the problem of approximating $\text{Tr}\, (|A|^p)$ for a log-local $n$-qubit Hamiltonian $A$ and $p=\text{poly}(n)$, up to a suitable level of accuracy, is contained in DQC1; and that approximating this quantity up to a somewhat higher level of accuracy is DQC1-hard. In some cases the level of accuracy achieved by the quantum algorithm is substantially better than a natura…
We present the problem of approximating the time-evolution operator $e^{-i\hat{H}t}$ to error $ε$, where the Hamiltonian $\hat{H}=(\langle G|\otimes\hat{\mathcal{I}})\hat{U}(|G\rangle\otimes\hat{\mathcal{I}})$ is the projection of a unitary oracle $\hat{U}$ onto the state $|G\rangle$ created by another unitary oracle. Our algorithm solves this with a query complexity $\mathcal{O}\big(t+\log({1/ε})\big)$ to both oracles that is optimal with respect to all parameters in both the asymptotic and non-asymptotic regime, and also with low overhead, using at most two additional ancilla qubits. This ap…
Product formulas can be used to simulate Hamiltonian dynamics on a quantum computer by approximating the exponential of a sum of operators by a product of exponentials of the individual summands. This approach is both straightforward and surprisingly efficient. We show that by simply randomizing how the summands are ordered, one can prove stronger bounds on the quality of approximation for product formulas of any given order, and thereby give more efficient simulations. Indeed, we show that these bounds can be asymptotically better than previous bounds that exploit commutation between the summ…
The task of estimating the ground state of Hamiltonians is an important problem in physics with numerous applications ranging from solid-state physics to combinatorial optimization. We provide a hybrid quantum-classical algorithm for approximating the ground state of a Hamiltonian that builds on the powerful Krylov subspace method in a way that is suitable for current quantum computers. Our algorithm systematically constructs the Ansatz using any given choice of the initial state and the unitaries describing the Hamiltonian. The only task of the quantum computer is to measure overlaps and no f…
The Floquet-Magnus expansion of unbounded operators
Institute of Theoretical Physics, Friedrich-Alexander-Universität Erlangen-Nürnberg（埃尔朗根-纽伦堡大学理论物理研究所）；School of Mathematical Sciences, Lancaster University（兰卡斯特大学数学科学学院）
Estimation of expectation values of incompatible observables is an essential practical task in quantum computing, especially for approximating energies of chemical and other many-body quantum systems. In this work we introduce a method for this purpose based on performing a single joint measurement that can be implemented locally and whose marginals yield noisy (unsharp) versions of the target set of non-commuting Pauli observables. We derive bounds on the number of experimental repetitions required to estimate energies up to a certain precision. We compare this strategy to the classical shado…
The local Hamiltonian problem is famously complete for the class QMA, the quantum analogue of NP. The complexity of its semi-classical version, in which the terms of the Hamiltonian are required to commute (the CLH problem), has attracted considerable attention recently due to its intriguing nature, as well as in relation to growing interest in the qPCP conjecture. We show here that if the underlying bipartite interaction graph of the CLH instance is a good locally-expanding graph, namely, the expansion of any constant-size set is e-close to optimal, then approximating its ground energy to wit…
We discuss classical algorithms for approximating the largest eigenvalue of quantum spin and fermionic Hamiltonians based on semidefinite programming relaxation methods. First, we consider traceless $2$-local Hamiltonians $H$ describing a system of $n$ qubits. We give an efficient algorithm that outputs a separable state whose energy is at least $λ_{\max}/O(\log n)$, where $λ_{\max}$ is the maximum eigenvalue of $H$. We also give a simplified proof of a theorem due to Lieb that establishes the existence of a separable state with energy at least $λ_{\max}/9$. Secondly, we consider a system of $…
Application of the adiabatic model of quantum computation requires efficient encoding of the solution to computational problems into the lowest eigenstate of a Hamiltonian that supports universal adiabatic quantum computation. Experimental systems are typically limited to restricted forms of 2-body interactions. Therefore, universal adiabatic quantum computation requires a method for approximating quantum many-body Hamiltonians up to arbitrary spectral error using at most 2-body interactions. Hamiltonian gadgets, introduced around a decade ago, offer the only current means to address this requ…
A Variational Framework for Time-Dependent Quantum Systems with Applications to Floquet Hamiltonians
Memorial University of Newfoundland and Labrador（纽芬兰与拉布拉多纪念大学）；National Research Council Canada（加拿大国家研究委员会）；Perimeter Institute for Theoretical Physics（理论物理前沿研究所）；University of Waterloo（滑铁卢大学）；Compute Everything Technologies Ltd.（Compute Everything科技有限公司）
Perturbative gadgets are used to construct a quantum Hamiltonian whose low-energy subspace approximates a given quantum $k$-body Hamiltonian up to an absolute error $ε$. Typically, gadget constructions involve terms with large interaction strengths of order $\text{poly}(ε^{-1})$. Here we present a 2-body gadget construction and prove that it approximates a target many-body Hamiltonian of interaction strength $γ= O(1)$ up to absolute error $ε\llγ$ using interactions of strength $O(ε)$ instead of the usual inverse polynomial in $ε$. A key component in our proof is a new condition for the converg…
Simulation of quantum systems is expected to be one of the most important applications of quantum computing, with much of the theoretical work so far having focused on fermionic and spin-$\frac{1}{2}$ systems. Here, we instead consider encodings of $d$-level (i.e. qudit) quantum operators into multi-qubit operators, studying resource requirements for approximating operator exponentials by Trotterization. We primarily focus on spin-$s$ and truncated bosonic operators in second quantization, observing desirable properties for approaches based on the Gray code, which to our knowledge has not been…
We present a quantum algorithm for approximating the real time evolution $e^{-iHt}$ of an arbitrary $d$-sparse Hamiltonian to error $ε$, given black-box access to the positions and $b$-bit values of its non-zero matrix entries. The complexity of our algorithm is $\mathcal{O}((t\sqrt{d}\|H\|_{1 \rightarrow 2})^{1+o(1)}/ε^{o(1)})$ queries and a factor $\mathcal{O}(b)$ more gates, which is shown to be optimal up to subpolynomial factors through a matching query lower bound. This provides a polynomial speedup in sparsity for the common case where the spectral norm $\|H\|\ge\|H\|_{1 \rightarrow 2}$…
We describe the contextual subspace variational quantum eigensolver (CS-VQE), a hybrid quantum-classical algorithm for approximating the ground state energy of a Hamiltonian. The approximation to the ground state energy is obtained as the sum of two contributions. The first contribution comes from a noncontextual approximation to the Hamiltonian, and is computed classically. The second contribution is obtained by using the variational quantum eigensolver (VQE) technique to compute a contextual correction on a quantum processor. In general the VQE computation of the contextual correction uses f…
Valiant-Vazirani showed in 1985 [VV85] that solving NP with the promise that "yes" instances have only one witness is powerful enough to solve the entire NP class (under randomized reductions). We are interested in extending this result to the quantum setting. We prove extensions to the classes Merlin-Arthur MA and Quantum-Classical-Merlin-Arthur QCMA. Our results have implications for the complexity of approximating the ground state energy of a quantum local Hamiltonian with a unique ground state and an inverse polynomial spectral gap. We show that the estimation (to within polynomial accurac…
We investigate an approach for studying the ground state of a quantum many-body Hamiltonian that is based on treating the correlation functions as variational parameters. In this approach, the challenge set by the exponentially-large Hilbert space is circumvented by approximating the positivity of the density matrix, order-by-order, in a way that keeps track of a limited set of correlation functions. In particular, the density-matrix description is replaced by a correlation matrix whose dimension is kept linear in system size, to all orders of the approximation. Unlike the conventional variati…
