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arXiv:1709.07828

Markovian Matrix Product Density Operators : Efficient computation of global entropy

Isaac H. Kim

Published Sep 22, 2017• 8 citations
arXivHTMLPDF

Abstract

We introduce the Markovian matrix product density operator, which is a special subclass of the matrix product density operator. We show that the von Neumann entropy of such ansatz can be computed efficiently on a classical computer. This is possible because one can efficiently certify that the global state forms an approximate quantum Markov chain by verifying a set of inequalities. Each of these inequalities can be verified in time that scales polynomially with the bond dimension and the local Hilbert space dimension. The total number of inequalities scale linearly with the system size. We use this fact to study the complexity of computing the minimum free energy of local Hamiltonians at finite temperature. To this end, we introduce the free energy problem as a generalization of the local Hamiltonian problem, and study its complexity for a class of Hamiltonians that describe quantum spin chains. The corresponding free energy problem at finite temperature is in NP if the Gibbs state of such Hamiltonian forms an approximate quantum Markov chain with an error that decays exponentially with the width of the conditioning subsystem.

DOI
10.48550/arxiv.1709.07828

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We introduce the Markovian matrix product density operator, which is a special subclass of the matrix product density operator. We show that the von Neumann entropy of such ansatz can be computed efficiently on a classical computer. This is possible because one can efficiently certify that the global state forms an approximate quantum Markov chain by verifying a set of inequalities. Each of these inequalities can be verified in time that scales polynomially with the bond dimension and the local Hilbert space dimension. The total number of inequalities scale linearly with the system size. We use this fact to study the complexity of computing the minimum free energy of local Hamiltonians at finite temperature. To this end, we introduce the free energy problem as a generalization of the local Hamiltonian problem, and study its complexity for a class of Hamiltonians that describe quantum spin chains. The corresponding free energy problem at finite temperature is in NP if the Gibbs state of such Hamiltonian forms an approximate quantum Markov chain with an error that decays exponentially with the width of the conditioning subsystem.
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The density matrix renormalization group approach is arguably the most successful method to numerically find ground states of quantum spin chains. It amounts to iteratively locally optimizing matrix-product states, aiming at better and better approximating the true ground state. To date, both a proof of convergence to the globally best approximation and an assessment of its complexity are lacking. Here we establish a result on the computational complexity of an approximation with matrix-product states: The surprising result is that when one globally optimizes over several sites of local Hamiltonians, avoiding local optima, one encounters in the worst case a computationally difficult NP-hard problem (hard even in approximation). The proof exploits a novel way of relating it to binary quadratic programming. We discuss intriguing ramifications on the difficulty of describing quantum many-body systems.
Quantum many-body states that frequently appear in physics often obey an entropy scaling law, meaning that an entanglement entropy of a subsystem can be expressed as a sum of terms that scale linearly with its volume and area, plus a correction term that is independent of its size.We conjecture that these states have an efficient dual description in terms of a set of marginal density matrices on bounded regions, obeying the same entropy scaling law locally.We prove a restricted version of this conjecture for translationally invariant systems in two spatial dimensions.Specifically, we prove that a translationally invariant marginal obeying three nonlinear constraints-all of which follow from the entropy scaling law straightforwardlymust be consistent with some global state on an infinite lattice.Moreover, we derive a closed-form expression for the maximum-entropy density compatible with those marginals, deriving a variational upper bound on the thermodynamic free energy.The main assumptions of our construction are satisfied exactly by solvable models of topological order and approximately by finite-temperature Gibbs states of certain quantum spin Hamiltonians.
We present a lower bound for the free energy of a quantum many-body system at finite temperature. This lower bound is expressed as a convex optimization problem with linear constraints, and is derived using strong subadditivity of von Neumann entropy and a relaxation of the consistency condition of local density operators. The dual to this minimization problem leads to a set of quantum belief propagation equations, thus providing a firm theoretical foundation to that approach. The minimization problem is numerically tractable, and we find good agreement with quantum Monte Carlo calculations for spin-1/2 Heisenberg antiferromagnet in two dimensions. This lower bound complements other variational upper bounds. We discuss applications to Hamiltonian complexity theory and give a generalization of the structure theorem of [P. Hayden et al., Commun. Math. Phys. 246, 359 (2004).] to trees in an appendix.
Time-dependent density matrix renormalization group method with a matrix product ansatz is employed for explicit computation of non-equilibrium steady state density operators of several integrable and non-integrable quantum spin chains, which are driven far from equilibrium by means of Markovian couplings to external baths at the two ends. It is argued that even though the time-evolution can not be simulated efficiently due to fast entanglement growth, the steady states in and out of equilibrium can be typically accurately approximated, so that chains of length of the order n ~ 100 are accessible. Our results are demonstrated by performing explicit simulations of steady states and calculations of energy/spin densities/currents in several problems of heat and spin transport in quantum spin chains. Previously conjectured relation between quantum chaos and normal transport is re-confirmed with high acurracy on much larger systems.