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arXiv:1802.03408 · Nature Communications

On the computational complexity of curing non-stoquastic Hamiltonians

Milad Marvian, Daniel A. Lidar, Itay Hen

Published Apr 5, 2019• 58 citations
arXivHTMLPDF

Abstract

Quantum many-body systems whose Hamiltonians are non-stoquastic, i.e., have positive off-diagonal matrix elements in a given basis, are known to pose severe limitations on the efficiency of Quantum Monte Carlo algorithms designed to simulate them, due to the infamous sign problem. We study the computational complexity associated with 'curing' non-stoquastic Hamiltonians, i.e., transforming them into sign-problem-free ones. We prove that if such transformations are limited to single-qubit Clifford group elements or general single-qubit orthogonal matrices, finding the curing transformation is NP-complete. We discuss the implications of this result.

DOI
10.1038/s41467-019-09501-6

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Quantum many-body systems whose Hamiltonians are non-stoquastic, i.e., have positive off-diagonal matrix elements in a given basis, are known to pose severe limitations on the efficiency of Quantum Monte Carlo algorithms designed to simulate them, due to the infamous sign problem. We study the computational complexity associated with 'curing' non-stoquastic Hamiltonians, i.e., transforming them into sign-problem-free ones. We prove that if such transformations are limited to single-qubit Clifford group elements or general single-qubit orthogonal matrices, finding the curing transformation is NP-complete. We discuss the implications of this result.
We elucidate the distinction between global and termwise stoquasticity for local Hamiltonians and prove several complexity results. We show that the stoquastic local Hamiltonian problem is StoqMA\textbf{StoqMA}StoqMA-complete even for globally stoquastic Hamiltonians. We study the complexity of deciding whether a local Hamiltonian is globally stoquastic or not. In particular, we prove coNP\textbf{coNP}coNP-hardness of deciding global stoquasticity in a fixed basis and Σ2pΣ_2^pΣ2p​-hardness of deciding global stoquasticity under single-qubit transformations. As a last result, we expand the class of sign-curing transformations by showing how Clifford transformations can sign-cure a class of disordered 1D XYZXYZXYZ Hamiltonians.
We elucidate the distinction between global and termwise stoquasticity for local Hamiltonians and prove several complexity results. We prove coNP-hardness of deciding global stoquasticity in a fixed basis and Σ2p\Sigma_2^pΣ2p​-hardness of deciding global stoquasticity under single-qubit transformations. We expand the class of sign-curing transformations by showing how Clifford transformations can sign-cure a class of disordered 1D XYZ Hamiltonians.
Quantum Monte Carlo (QMC) methods are the gold standard for studying equilibrium properties of quantum many-body systems. However, in many interesting situations, QMC methods are faced with a sign problem, causing the severe limitation of an exponential increase in the runtime of the QMC algorithm. In this work, we develop a systematic, generally applicable, and practically feasible methodology for easing the sign problem by efficiently computable basis changes and use it to rigorously assess the sign problem. Our framework introduces measures of non-stoquasticity that-as we demonstrate analytically and numerically-at the same time provide a practically relevant and efficiently computable figure of merit for the severity of the sign problem. Complementing this pragmatic mindset, we prove that easing the sign problem in terms of those measures is generally an NP-complete task for nearest-neighbor Hamiltonians and simple basis choices by a reduction to the MAXCUT-problem.
We study several problems related to properties of non-negative matrices that arise at the boundary between quantum and classical probabilistic computation. Our results are twofold. First, we identify a large class of quantum Hamiltonians describing systems of qubits for which the adiabatic evolution can be efficiently simulated on a classical probabilistic computer. These are stoquastic local Hamiltonians with a "frustration free" ground-state. A Hamiltonian belongs to this class iff it can be represented as H=∑aHaH=\sum_a H_aH=∑a​Ha​ where (1) every term HaH_aHa​ acts non-trivially on a constant number of qubits, (2) every term HaH_aHa​ has real non-positive off-diagonal matrix elements in the standard basis, and (3) the ground-state of HHH is a ground-state of every term HaH_aHa​. Secondly, we generalize the Cook-Levin theorem proving NP-completeness of the satisfiability problem to the complexity class MA -- a probabilistic analogue of NP. Specifically, we construct a quantum version of the k-SAT problem which we call "stoquastic k-SAT" such that stoquastic k-SAT is contained in MA for any constant kkk, and any promise problem in MA is Karp-reducible to stoquastic 6-SAT. This result provides the first non-trivial example of a MA-complete promise problem.
We examine the problem of determining whether a multiqubit two-local Hamiltonian can be made stoquastic by single-qubit unitary transformations. We prove that when such a Hamiltonian contains one-local terms, then this task can be NP-hard. This is shown by constructing a class of Hamiltonians for which performing this task is equivalent to deciding 3-SAT. In contrast, we show that when such a Hamiltonian contains no one-local terms then this task is easy; namely, we present an algorithm which decides, in a number of arithmetic operations over R\mathbb{R}R which is polynomial in the number of qubits, whether the sign problem of the Hamiltonian can be cured by single-qubit rotations.
We study several problems related to properties of nonnegative matrices that arise at the boundary between quantum and classical probabilistic computation. Our results are twofold. First, we identify a large class of quantum Hamiltonians describing systems of qubits for which the adiabatic evolution can be efficiently simulated on a classical probabilistic computer. These are stoquastic local Hamiltonians with a “frustration-free” ground-state. A Hamiltonian belongs to this class iff it can be represented as H=∑aHaH=\sum_{a}H_{a}H=∑a​Ha​ where (1) every term HaH_{a}Ha​ acts nontrivially on a constant number of qubits, (2) every term HaH_{a}Ha​ has real nonpositive off-diagonal matrix elements in the standard basis, and (3) the ground-state of H is a ground-state of every term HaH_{a}Ha​. Second, we generalize the Cook–Levin theorem proving NP-completeness of the satisfiability problem to the complexity class MA (Merlin–Arthur games)—a probabilistic analogue of NP. Specifically, we construct a quantum version of the k-SAT problem which we call “stoquastic k-SAT” such that stoquastic k-SAT is contained in MA for any constant k, and any promise problem in MA is Karp-reducible to stoquastic 6-SAT. This result provides the first nontrivial example of a MA-complete promise problem.