Matrix Product Operators Research Articles

Efficient variational diagonalization of fully many-body localized Hamiltonians

We introduce a unitary matrix-product operator (UMPO) based variational method that approximately finds all the eigenstates of fully many-body localized (fMBL) one-dimensional Hamiltonians. The computational cost of the variational optimization scales linearly with system size for a fixed bond dimension of the UMPO ansatz. We demonstrate the usefulness of our approach by considering the Heisenberg chain in a strongly disordered magnetic field for which we compare the approximation to exact diagonalization results.

Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithms.

Current descriptions of the ab initio density matrix renormalization group (DMRG) algorithm use two superficially different languages: an older language of the renormalization group and renormalized operators, and a more recent language of matrix product states and matrix product operators. The same algorithm can appear dramatically different when written in the two different vocabularies. In this work, we carefully describe the translation between the two languages in several contexts. First, we describe how to efficiently implement the ab initio DMRG sweep using a matrix product operator based code, and the equivalence to the original renormalized operator implementation. Next we describe how to implement the general matrix product operator/matrix product state algebra within a pure renormalized operator-based DMRG code. Finally, we discuss two improvements of the ab initio DMRG sweep algorithm motivated by matrix product operator language: Hamiltonian compression, and a sum over operators representation that allows for perfect computational parallelism. The connections and correspondences described here serve to link the future developments with the past and are important in the efficient implementation of continuing advances in ab initio DMRG and related algorithms.

Chiral condensate in the Schwinger model with matrix product operators

Tensor network (TN) methods, in particular the matrix product states (MPS) ansatz, have proven to be a useful tool in analyzing the properties of lattice gauge theories. They allow for a very good precision, much better than standard Monte Carlo (MC) techniques for the models that have been studied so far, due to the possibility of reaching much smaller lattice spacings. The real reason for the interest in the TN approach, however, is its ability, shown so far in several condensed matter models, to deal with theories which exhibit the notorious sign problem in MC simulations. This makes it prospective for dealing with the nonzero chemical potential in QCD and other lattice gauge theories, as well as with real-time simulations. In this paper, using matrix product operators, we extend our analysis of the Schwinger model at zero temperature to show the feasibility of this approach also at finite temperature. This is an important step on the way to deal with the sign problem of QCD. We analyze in detail the chiral symmetry breaking in the massless and massive cases and show that the method works very well and gives good control over a broad range of temperatures, essentially from zero to infinite temperature.

Exotic Attractors of the Nonequilibrium Rabi-Hubbard Model.

We explore the phase diagram of the dissipative Rabi-Hubbard model, as could be realized by a Raman-pumping scheme applied to a coupled cavity array. There exist various exotic attractors, including ferroelectric, antiferroelectric, and incommensurate fixed points, as well as regions of persistent oscillations. Many of these features can be understood analytically by truncating to the two lowest lying states of the Rabi model on each site. We also show that these features survive beyond mean field, using matrix product operator simulations.

Spin-adapted matrix product states and operators.

Matrix product states (MPSs) and matrix product operators (MPOs) allow an alternative formulation of the density matrix renormalization group algorithm introduced by White. Here, we describe how non-abelian spin symmetry can be exploited in MPSs and MPOs by virtue of the Wigner-Eckart theorem at the example of the spin-adapted quantum chemical Hamiltonian operator.

Computational complexity of nonequilibrium steady states of quantum spin chains

We study non-equilibrium steady states (NESS) of spin chains with boundary Markovian dissipation from the computational complexity point of view. We focus on XX chains whose NESS are matrix product operators (MPO), i.e. with coefficients of a tensor operator basis described by transition amplitudes in an auxiliary space. Encoding quantum algorithms in the auxiliary space, we show that estimating expectations of operators, being local in the sense that each acts on disjoint sets of few spins covering all the system, provides the answers of problems at least as hard as, and believed by many computer scientists to be much harder than, those solved by quantum computers. We draw conclusions on the hardness of the above estimations.

Renormalizing Entanglement Distillation.

Entanglement distillation refers to the task of transforming a collection of weakly entangled pairs into fewer highly entangled ones. It is a core ingredient in quantum repeater protocols, which are needed to transmit entanglement over arbitrary distances in order to realize quantum key distribution schemes. Usually, it is assumed that the initial entangled pairs are identically and independently distributed and are uncorrelated with each other, an assumption that might not be reasonable at all in any entanglement generation process involving memory channels. Here, we introduce a framework that captures entanglement distillation in the presence of natural correlations arising from memory channels. Conceptually, we bring together ideas from condensed-matter physics-ideas from renormalization and matrix-product states and operators-with those of local entanglement manipulation, Markov chain mixing, and quantum error correction. We identify meaningful parameter regions for which we prove convergence to maximally entangled states, arising as the fixed points of a matrix-product operator renormalization flow.

An efficient matrix product operator representation of the quantum chemical Hamiltonian.

We describe how to efficiently construct the quantum chemical Hamiltonian operator in matrix product form. We present its implementation as a density matrix renormalization group (DMRG) algorithm for quantum chemical applications. Existing implementations of DMRG for quantum chemistry are based on the traditional formulation of the method, which was developed from the point of view of Hilbert space decimation and attained higher performance compared to straightforward implementations of matrix product based DMRG. The latter variationally optimizes a class of ansatz states known as matrix product states, where operators are correspondingly represented as matrix product operators (MPOs). The MPO construction scheme presented here eliminates the previous performance disadvantages while retaining the additional flexibility provided by a matrix product approach, for example, the specification of expectation values becomes an input parameter. In this way, MPOs for different symmetries - abelian and non-abelian - and different relativistic and non-relativistic models may be solved by an otherwise unmodified program.

Matrix-Product-State Algorithm for Finite Fractional Quantum Hall Systems

Exact diagonalization is a powerful tool to study fractional quantum Hall (FQH) systems. However, its capability is limited by the exponentially increasing computational cost. In order to overcome this difficulty, density-matrix-renormalization-group (DMRG) algorithms were developed for much larger system sizes. Very recently, it was realized that some model FQH states have exact matrix-product-state (MPS) representation. Motivated by this, here we report a MPS code, which is closely related to, but different from traditional DMRG language, for finite FQH systems on the cylinder geometry. By representing the many-body Hamiltonian as a matrix-product-operator (MPO) and using single-site update and density matrix correction, we show that our code can efficiently search the ground state of various FQH systems. We also compare the performance of our code with traditional DMRG. The possible generalization of our code to infinite FQH systems and other physical systems is also discussed.

Thermal evolution of the Schwinger model with matrix product operators

We demonstrate the suitability of tensor network techniques for describing the thermal evolution of lattice gauge theories. As a benchmark case, we have studied the temperature dependence of the chiral condensate in the Schwinger model, using matrix product operators to approximate the thermal equilibrium states for finite system sizes with non-zero lattice spacings. We show how these techniques allow for reliable extrapolations in bond dimension, step width, system size and lattice spacing, and for a systematic estimation and control of all error sources involved in the calculation. The reached values of the lattice spacing are small enough to capture the most challenging region of high temperatures and the final results are consistent with the analytical prediction by Sachs and Wipf over a broad temperature range.

Matrix-product-operator approach to the nonequilibrium steady state of driven-dissipative quantum arrays

We develop a numerical procedure to efficiently model the nonequilibrium steady state of one-dimensional arrays of open quantum systems, based on a matrix-product operator ansatz for the density matrix. The procedure searches for the null eigenvalue of the Liouvillian superoperator by sweeping along the system while carrying out a partial diagonalization of the single-site stationary problem. It bears full analogy to the density-matrix renormalization group approach to the ground state of isolated systems, and its numerical complexity scales as a power law with the bond dimension. The method brings considerable advantage when compared to the integration of the time-dependent problem via Trotter decomposition, as it can address arbitrarily long-ranged couplings. Additionally, it ensures numerical stability in the case of weakly dissipative systems thanks to a slow tuning of the dissipation rates along the sweeps. We have tested the method on a driven-dissipative spin chain, under various assumptions for the Hamiltonian, drive, and dissipation parameters, and compared the results to those obtained both by Trotter dynamics and Monte-Carlo wave function. Accurate and numerically stable convergence was always achieved when applying the method to systems with a gapped Liouvillian and a non-degenerate steady-state.

One-dimensional mimicking of electronic structure: The case for exponentials

An exponential interaction is constructed so that one-dimensional atoms and chains of atoms mimic the general behavior of their three-dimensional counterparts. Relative to the more commonly used soft-Coulomb interaction, the exponential greatly diminishes the computational time needed for calculating highly accurate quantities with the density matrix renormalization group. This is due to the use of a small matrix product operator and to exponentially vanishing tails. Furthermore, its more rapid decay closely mimics the screened Coulomb interaction in three dimensions. Choosing parameters to best match earlier calculations, we report results for the one dimensional hydrogen atom, uniform gas, and small atoms and molecules both exactly and in the local density approximation.

Variational Matrix Product Operators for the Steady State of Dissipative Quantum Systems.

We present a new variational method based on the matrix product operator (MPO) ansatz, for finding the steady state of dissipative quantum chains governed by master equations of the Lindblad form. Instead of requiring an accurate representation of the system evolution until the stationary state is attained, the algorithm directly targets the final state, thus, allowing for a faster convergence when the steady state is a MPO with small bond dimension. Our numerical simulations for several dissipative spin models over a wide range of parameters illustrate the performance of the method and show that, indeed, the stationary state is often well described by a MPO of very moderate dimensions.

Bosonic anomalies, induced fractional quantum numbers, and degenerate zero modes: The anomalous edge physics of symmetry-protected topological states

The boundary of symmetry-protected topological states (SPTs) can harbor new quantum anomaly phenomena. In this work, we characterize the bosonic anomalies introduced by the 1+1D non-onsite-symmetric gapless edge modes of 2+1D bulk bosonic SPTs with a generic finite Abelian group symmetry (isomorphic to $G=\prod_i Z_{N_i}=Z_{N_1} \times Z_{N_2} \times Z_{N_3} \times ...$). We demonstrate that some classes of SPTs (termed "Type II") trap fractional quantum numbers (such as fractional $Z_N$ charges) at the 0D kink of the symmetry-breaking domain walls; while some classes of SPTs (termed "Type III") have degenerate zero energy modes (carrying the projective representation protected by the unbroken part of the symmetry), either near the 0D kink of a symmetry-breaking domain wall, or on a symmetry-preserving 1D system dimensionally reduced from a thin 2D tube with a monodromy defect 1D line embedded. More generally, the energy spectrum and conformal dimensions of gapless edge modes under an external gauge flux insertion (or twisted by a branch cut, i.e., a monodromy defect line) through the 1D ring can distinguish many SPT classes. We provide a manifest correspondence from the physical phenomena, the induced fractional quantum number and the zero energy mode degeneracy, to the mathematical concept of cocycles that appears in the group cohomology classification of SPTs, thus achieving a concrete physical materialization of the cocycles. The aforementioned edge properties are formulated in terms of a long wavelength continuum field theory involving scalar chiral bosons, as well as in terms of Matrix Product Operators and discrete quantum lattice models. Our lattice approach yields a regularization with anomalous non-onsite symmetry for the field theory description. We also formulate some bosonic anomalies in terms of the Goldstone-Wilczek formula.

On integrable matrix product operators with bond dimension D = 4

We construct and study a two-parameter family of matrix product operators of bond dimension D = 4. The operators M(x, y) act on , i.e. the space of states of a spin-1/2 chain of length N. For the particular values of the parameters: x = 1/3 and , the operator turns out to be proportional to the square root of the reduced density matrix of the valence-bond-solid state on a hexagonal ladder. We show that M(x, y) has several interesting properties when (x, y) lies on the unit circle centered at the origin: x2 + y2 = 1. In this case, we find that M(x, y) commutes with the Hamiltonian and all the conserved charges of the isotropic spin-1/2 Heisenberg chain. Moreover, M(x1, y1) and M(x2, y2) are mutually commuting if for both i = 1 and 2. These remarkable properties of M(x, y) are proved as a consequence of the Yang–Baxter equation.

Matrix-product operators and states: NP-hardness and undecidability.

Tensor network states constitute an important variational set of quantum states for numerical studies of strongly correlated systems in condensed-matter physics, as well as in mathematical physics. This is specifically true for finitely correlated states or matrix-product operators, designed to capture mixed states of one-dimensional quantum systems. It is a well-known open problem to find an efficient algorithm that decides whether a given matrix-product operator actually represents a physical state that in particular has no negative eigenvalues. We address and answer this question by showing that the problem is provably undecidable in the thermodynamic limit and that the bounded version of the problem is NP-hard (nondeterministic-polynomial-time hard) in the system size. Furthermore, we discuss numerous connections between tensor network methods and (seemingly) different concepts treated before in the literature, such as hidden Markov models and tensor trains.

Twisted injectivity in projected entangled pair states and the classification of quantum phases

We introduce a class of projected entangled pair states (PEPS) which is based on a group symmetry twisted by a 3-cocycle of the group. This twisted symmetry is expressed as a matrix product operator (MPO) with bond dimension greater than 1 and acts on the virtual boundary of a PEPS tensor. We show that it gives rise to a new standard form for PEPS from which we construct a family of local Hamiltonians which are gapped, frustration-free and include fixed points of the renormalization group flow. Based on this insight, we advance the classification of 2D gapped quantum spin systems by showing how this new standard form for PEPS determines the emergent topological order of these local Hamiltonians. Specifically, we identify their universality class as Dijkgraaf–Witten topological quantum field theory (TQFT).

Dynamical and steady-state properties of a Bose-Hubbard chain with bond dissipation: A study based on matrix product operators

We study a dissipative Bose-Hubbard chain subject to an engineered bath using a superoperator approach based on matrix product operators. The dissipation is engineered to stabilize a BEC condensate wave function in its steady state. We then characterize the steady state emerging from the interplay between incompatible Hamiltonian and dissipative dynamics. While it is expected that interactions lead to this competition, even the kinetic energy in an open boundary condition setup competes with the dissipation, leading to a non-trivial steady state. We also present results for the transient dynamics and probe the relaxation time revealing the closing of the dissipative gap in the thermodynamic limit.

Stabilization of High-Dimensional Harmonic Balance Solvers Using Time Spectral Viscosity

We investigate the application of a temporal spectral viscosity operator to eliminate aliasing errors associated with the high-dimensional harmonic balance technique, which is an efficient method for modeling nonlinear time-periodic problems. Previous studies have shown that aliasing errors resulting from the discrete Fourier transformation may slow down convergence, trigger a nonlinear instability, or lead to nonphysical solutions. A temporal spectral viscosity operator, similar to that used for pseudospectral methods, is introduced. The temporal spectral viscosity is added to the high-frequency modes of the solution to eliminate aliasing errors so as to ensure the convergence to the physical solution. The implementation of the technique is straightforward and can be incorporated into the high-dimensional harmonic balance solver as a matrix product operator. The accuracy and effectiveness of the modified method is demonstrated for different test cases including a Duffing oscillator and unsteady flow about an oscillating circular cylinder. Finally, the temporal spectral viscosity is applied to a turbomachinery aeroelasticity problem to investigate the effect of added dissipation on the accuracy of unsteady solutions.

Semi-nonnegative joint diagonalization by congruence and semi-nonnegative ICA

In this paper, we focus on the Joint Diagonalization by Congruence (JDC) decomposition of a set of matrices, while imposing nonnegative constraints on the joint diagonalizer. The latter will be referred to the semi-nonnegative JDC fitting problem. This problem appears in semi-nonnegative Independent Component Analysis (ICA), say ICA involving nonnegative static mixtures, such as those encountered for instance in image processing and in magnetic resonance spectroscopy. In order to achieve the semi-nonnegative JDC decomposition, we propose two novel algorithms called ELS-ALSexp and CGexp, which optimize an unconstrained problem obtained by means of an exponential change of variable. The proposed methods are based on the line search strategy for which an analytic global plane search procedure has been considered. All derivatives have been jointly calculated in matrix form using the algebraic basis for matrix calculus and product operator properties. Our algorithms have been tested on synthetic arrays and the semi-nonnegative ICA problem is illustrated through simulations in magnetic resonance spectroscopy and in image processing. The numerical results show the benefit of using a priori information, such as nonnegativity.