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arXiv:1610.06086

On the Approximation of Functionals of Very Large Hermitian Matrices represented as Matrix Product Operators

Moritz August, Mari Carmen Bañuls, Thomas Huckle

Published Oct 19, 2016• 4 citations
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Abstract

We present a method to approximate functionals $\text{Tr} \, f(A)$ of very high-dimensional hermitian matrices $A$ represented as Matrix Product Operators (MPOs). Our method is based on a reformulation of a block Lanczos algorithm in tensor network format. We state main properties of the method and show how to adapt the basic Lanczos algorithm to the tensor network formalism to allow for high-dimensional computations. Additionally, we give an analysis of the complexity of our method and provide numerical evidence that it yields good approximations of the entropy of density matrices represented by MPOs while being robust against truncations.

DOI
10.48550/arxiv.1610.06086

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We present a method to approximate functionals Tr f(A)\text{Tr} \, f(A)Trf(A) of very high-dimensional hermitian matrices AAA represented as Matrix Product Operators (MPOs). Our method is based on a reformulation of a block Lanczos algorithm in tensor network format. We state main properties of the method and show how to adapt the basic Lanczos algorithm to the tensor network formalism to allow for high-dimensional computations. Additionally, we give an analysis of the complexity of our method and provide numerical evidence that it yields good approximations of the entropy of density matrices represented by MPOs while being robust against truncations.
Building on a previously introduced block Lanczos method, we demonstrate how to approximate any operator function of the form Trf(A)\mathsf{Tr}f(A)Trf(A) when the argument AAA is given as a Hermitian matrix product operator (MPO). This gives access to quantities that, depending on the full spectrum, are difficult to access for standard tensor network techniques, such as the von Neumann entropy and the trace norm of an MPO. We present a modified, more efficient strategy for computing thermal properties of short- or long-range Hamiltonians, and we illustrate the performance of the method with numerical results for the thermal equilibrium states of the Lipkin-Meshkov-Glick and Ising Hamiltonians.
We propose a tensor-network (TN) approach for solving classical optimization problems that is inspired by spectral filtering and sampling on quantum states. We first shift and scale an Ising Hamiltonian of the cost function so that all eigenvalues become non-negative and the ground states correspond to the the largest eigenvalues, which are then amplified by power iteration. We represent the transformed Hamiltonian as a matrix product operator (MPO) and form an immense power of this object via truncated MPO-MPO contractions, embedding the resulting operator into a matrix product state for sampling in the computational basis. In contrast to the density-matrix renormalization group, our approach provides a straightforward route to systematic improvement by increasing the bond dimension and is better at avoiding local minima. We also study the performance of this power method in the context of a higher-order Ising Hamiltonian on a heavy-hexagonal lattice, making a comparison with simulated annealing. These results highlight the potential of quantum-inspired algorithms for solving optimization problems and provide a baseline for assessing and developing quantum algorithms.
Matrix product states and matrix product operators (MPOs) are one-dimensional tensor networks that underlie the modern density matrix renormalization group (DMRG) algorithm. The use of MPOs accounts for the high level of generality and wide range of applicability of DMRG. However, current algorithms for two-dimensional (2D) tensor network states, known as projected entangled-pair states, rarely employ the associated 2D tensor network operators, projected entangled-pair operators (PEPOs), due to their computational cost and conceptual complexity. To lower these two barriers, we describe how to reformulate a PEPO into a set of tensor network operators that resemble MPOs by considering the different sets of local operators that are generated from sequential bipartitions of the 2D system. The expectation value of a PEPO can then be evaluated on the fly using only the action of MPOs and generalized MPOs at each step of the approximate contraction of the 2D tensor network. This technique allows for the simpler construction and more efficient energy evaluation of 2D Hamiltonians that contain finite-range interactions, and provides an improved strategy to encode long-range interactions that is orders of magnitude more accurate and efficient than existing schemes.
We develop a block-encoding compiler that treats matrix product operators as compressed, virtual-path linear combination of unitaries programs. The compiler constructs conditional PREP and local SELECT stages directly from a parent matrix product operator, establishing tensor networks as structured quantum intermediate representations that can be efficiently compiled to block-encoded circuits. We apply the construction to real-time evolution in the Heisenberg chain and two perturbed Heisenberg-family models. Across the regimes studied, the compressed, approximately unitary propagator MPOs retain mild bond dimension and LCU normalization. Relative to an LCU that explicitly lists the O(NK)\mathcal{O}(N^K)O(NK) Pauli-product branches of an order-K truncated Taylor polynomial, our virtual-transition implementation replaces combinatorial branch enumeration by a circuit complexity scaling as O(αMPONχ2)\mathcal{O}(α_{\rm MPO}Nχ^2)O(αMPO​Nχ2), approaching O(Nχ2)\mathcal{O}(Nχ^2)O(Nχ2) when αMPOα_{\rm MPO}αMPO​ remains mild. We numerically characterize how truncation order, bond-dimension budget, and system size affect approximation error, normalization, and compiler cost. These results demonstrate how classically compressed tensor-network representations can serve as quantum compiler intermediate representations for block encoding and opens new avenues to accelerate quantum algorithms.
This is a set of lectures on tensor networks with a strong emphasis on the core algorithms involving Matrix Product States (MPS) and Matrix Product Operators (MPO). Compared to other presentations, particular care has been given to disentangle aspects of tensor networks from the quantum many-body problem: MPO/MPS algorithms are presented as a way to deal with linear algebra on extremely (exponentially) large matrices and vectors, regardless of any particular application. The lectures include well-known algorithms to find eigenvectors of MPOs (the celebrated DMRG), solve linear problems, and recent learning algorithms that allow one to map a known function into an MPS (the Tensor Cross Interpolation, or TCI, algorithm). The lectures end with a discussion of how to represent functions and perform calculus with tensor networks using the "quantics" representation. They include the detailed analytical construction of important MPOs such as those for differentiation, indefinite integration, convolution, and the quantum Fourier transform. Three concrete applications are discussed in detail: the simulation of a quantum computer (either exactly or with compression), the simulation of a quantum annealer, and techniques to solve partial differential equations (e.g. Poisson, diffusion, or Gross-Pitaevskii) within the "quantics" representation. The lectures have been designed to be accessible to a first-year PhD student and include detailed proofs of all statements.
Tensor network operators, such as the matrix product operator (MPO) and the projected entangled-pair operator (PEPO), can provide efficient representation of certain linear operators in high-dimensional spaces. This paper focuses on the efficient representation of tensor network operators with long-range pairwise interactions such as the Coulomb interaction. For MPOs, we find that all existing efficient methods exploit an upper-triangular low-rank (UTLR) property, i.e., the upper-triangular part of the matrix can be well approximated by a low-rank matrix, while the matrix itself can be full-rank. This allows us to convert the problem of finding the efficient MPO representation into a matrix completion problem. We develop a modified incremental singular value decomposition method (ISVD) to solve this ill-conditioned matrix completion problem. This algorithm yields equivalent MPO representation to that developed in [E. M. Stoudenmire and S. R. White, Phys. Rev. Lett., 119 (2017), 046401]. In order to efficiently treat more general tensor network operators, we develop another strategy for compressing tensor network operators based on hierarchical low-rank matrix formats, such as the hierarchical off-diagonal low-rank (HODLR) format and the H\mathcal{H}H-matrix format. Though the preconstant in the complexity is larger, the advantage of using the hierarchical low-rank matrix format is that it is applicable to both MPOs and PEPOs. For the Coulomb interaction, the operator can be represented by a linear combination of O(log⁡(N)log⁡(N/ϵ))\mathcal{O}(\log(N)\log(N/\epsilon))O(log(N)log(N/ϵ)) MPOs/PEPOs, each with a constant bond dimension, where NNN is the system size and ϵ\epsilonϵ is the accuracy of the low-rank truncation. Neither the modified ISVD nor the hierarchical low-rank algorithm assumes that the long-range interaction takes a translation-invariant form.