Matrix Product Operators Research Articles

A solvable model for graph state decoherence dynamics

We present an exactly solvable toy model for the continuous dissipative dynamics of permutation-invariant graph states of NN qubits. Such states are locally equivalent to an NN-qubit Greenberger-Horne-Zeilinger (GHZ) state, a fundamental resource in many quantum information processing setups. We focus on the time evolution of the state governed by a Lindblad master equation with the three standard single-qubit jump operators, the Hamiltonian part being set to zero. Deriving analytic expressions for the expectation values of observables expanded in the Pauli basis at all times, we analyze the nontrivial intermediate-time dynamics. Using a numerical solver based on matrix product operators, we simulate the time evolution for systems with up to 64 qubits and verify a numerically exact agreement with the analytical results. We find that the evolution of the operator space entanglement entropy of a bipartition of the system manifests a plateau whose duration increases logarithmically with the number of qubits, whereas all Pauli-operator products have expectation values decaying at most in constant time.

Compact sum-of-products form of the molecular electronic Hamiltonian based on canonical polyadic decomposition.

We propose an approach to represent the second-quantized electronic Hamiltonian in a compact sum-of-products (SOP) form. The approach is based on the canonical polyadic decomposition of the original Hamiltonian projected onto the sub-Fock spaces formed by groups of spin-orbitals. The algorithm for obtaining the canonical polyadic form starts from an exact sum-of-products, which is then optimally compactified using an alternating least squares procedure. We discuss the relation of this specific SOP with related forms, namely the Tucker format and the matrix product operator often used in conjunction with matrix product states. We benchmark the method on the electronic dynamics of an excited water molecule, trans-polyenes, and the charge migration in glycine upon inner-valence ionization. The quantum dynamics are performed with the multilayer multiconfiguration time-dependent Hartree method in second quantization representation. Other methods based on tree-tensor Ansätze may profit from this general approach.

Grassmann time-evolving matrix product operators for quantum impurity models

Grassmann time-evolving matrix product operators for quantum impurity models

Information flow in non-unitary quantum cellular automata

The information flow in a quantum system is a fundamental feature of its dynamics. An important class of dynamics are quantum cellular automata (QCA), systems with discrete updates invariant in time and space, for which an index theory has been proposed for the quantification of the net flow of quantum information across a boundary. While the index is rigid in the sense of begin invariant under finite-depth local circuits, it is not defined when the system is coupled to an environment, i.e.for non-unitary time evolution of open quantum systems. We propose a new measure of information flow for non-unitary QCA denoted the information current which is not rigid, but can be computed locally based on the matrix-product operator representation of the map.

Grassmann time-evolving matrix product operators for equilibrium quantum impurity problems

Tensor-network-based methods are promising candidates to solve quantum impurity problems (QIP). They are free of sampling noises and the sign problem compared to state-of-the-art continuous-time quantum Monte Carlo methods. Recent progress made in tensor-network-based impurity solvers is to use the Feynman–Vernon influence functional to integrate out the bath analytically, retaining only the impurity dynamics and representing it compactly as a matrix product state. The recently proposed Grassmann time-evolving matrix product operator (GTEMPO) method is one of the representative methods in this direction. In this work, we systematically study the performance of GTEMPO in solving equilibrium QIPs at a finite temperature with a semicircular spectrum density of the bath. Our results show that its computational cost would generally increase as the temperature goes down and scale exponentially with the number of orbitals. In particular, the single-orbital Anderson impurity model can be efficiently solved with this method, for two orbitals we estimate that one could possibly reach inverse temperature β ≈ 20 if high-performance computing techniques are utilized, while beyond that only very high-temperature regimes can be reached in the current formalism. Our work paves the way to apply GTEMPO as an imaginary-time impurity solver.

Simulating lossy Gaussian boson sampling with matrix-product operators

Simulating lossy Gaussian boson sampling with matrix-product operators

Matrix product operator representations for the local conserved quantities of the Heisenberg chain

We present the explicit expressions for the matrix product operator (MPO) representation for the local conserved quantities of the Heisenberg chain. The bond dimension of the MPO grows linearly with the locality of the charges. The MPO has more simple form than the local charges themselves, and their Catalan tree patterns naturally emerge from the matrix products. The MPO representation of local conserved quantities is generalized to the integrable SU(N) invariant spin chain.

Matrix Product Symmetries and Breakdown of Thermalization from Hard Rod Deformations.

We construct families of exotic spin-1/2 chains using a procedure called "hard rod deformation." We treat both integrable and nonintegrable examples. The models possess a large noncommutative symmetry algebra, which is generated by matrix product operators with a fixed small bond dimension. The symmetries lead to Hilbert space fragmentation and to the breakdown of thermalization. As an effect, the models support persistent oscillations in nonequilibrium situations. Similar symmetries have been reported earlier in integrable models, but here we show that they also occur in nonintegrable cases.

Dualities in One-Dimensional Quantum Lattice Models: Symmetric Hamiltonians and Matrix Product Operator Intertwiners

Dualities in One-Dimensional Quantum Lattice Models: Symmetric Hamiltonians and Matrix Product Operator Intertwiners

Many bounded versions of undecidable problems are NP-hard

Several physically inspired problems have been proven undecidable; examples are the spectral gap problem and the membership problem for quantum correlations. Most of these results rely on reductions from a handful of undecidable problems, such as the halting problem, the tiling problem, the Post correspondence problem or the matrix mortality problem. All these problems have a common property: they have an NP-hard bounded version. This work establishes a relation between undecidable unbounded problems and their bounded NP-hard versions. Specifically, we show that NP-hardness of a bounded version follows easily from the reduction of the unbounded problems. This leads to new and simpler proofs of the NP-hardness of bounded version of the Post correspondence problem, the matrix mortality problem, the positivity of matrix product operators, the reachability problem, the tiling problem, and the ground state energy problem. This work sheds light on the intractability of problems in theoretical physics and on the computational consequences of bounding a parameter.

PathSum: A C++ and Fortran suite of fully quantum mechanical real-time path integral methods for (multi-)system + bath dynamics.

This paper reports the release of PathSum, a new software suite of state-of-the-art path integral methods for studying the dynamics of single or extended systems coupled to harmonic environments. The package includes two modules, suitable for system-bath problems and extended systems comprising many coupled system-bath units, and is offered in C++ and Fortran implementations. The system-bath module offers the recently developed small matrix path integral (SMatPI) and the well-established iterative quasi-adiabatic propagator path integral (i-QuAPI) method for iteration of the reduced density matrix of the system. In the SMatPI module, the dynamics within the entanglement interval can be computed using QuAPI, the blip sum, time evolving matrix product operators, or the quantum-classical path integral method. These methods have distinct convergence characteristics and their combination allows a user to access a variety of regimes. The extended system module provides the user with two algorithms of the modular path integral method, applicable to quantum spin chains or excitonic molecular aggregates. An overview of the methods and code structure is provided, along with guidance on method selection and representative examples.

Circuits of space and time quantum channels

Exact solutions in interacting many-body systems are scarce but extremely valuable since they provide insights into the dynamics. Dual-unitary models are examples in one spatial dimension where this is possible. These brick-wall quantum circuits consist of local gates, which remain unitary not only in time, but also when interpreted as evolutions along the spatial directions. However, this setting of unitary dynamics does not directly apply to real-world systems due to their imperfect isolation, and it is thus imperative to consider the impact of noise to dual-unitary dynamics and its exact solvability. In this work we generalise the ideas of dual-unitarity to obtain exact solutions in noisy quantum circuits, where each unitary gate is substituted by a local quantum channel. Exact solutions are obtained by demanding that the noisy gates yield a valid quantum channel not only in time, but also when interpreted as evolutions along one or both of the spatial directions and possibly backwards in time. This gives rise to new families of models that satisfy different combinations of unitality constraints along the space and time directions. We provide exact solutions for the spatio-temporal correlation functions, spatial correlations after a quantum quench, and the structure of steady states for these families of models. We show that noise unbiased around the dual-unitary family leads to exactly solvable models, even if dual-unitarity is strongly violated. We prove that any channel unital in both space and time directions can be written as an affine combination of a particular class of dual-unitary gates. Finally, we extend the definition of solvable initial states to matrix-product density operators. We completely classify them when their tensor admits a local purification.

Nonlocal correlations in noisy multiqubit systems simulated using matrix product operators

We introduce an open-source solver for the Lindblad master equation, based on matrix product states and matrix product operators. Using this solver we study the dynamics of tens of interacting qubits with different connectivities, focusing on a problem where an edge qubit is being continuously driven on resonance, which is a fundamental operation in quantum devices. Because of the driving, induced excitations propagate through the qubits until the system reaches a steady state due to the incoherent terms. We find that with alternating-frequency qubits whose interactions with their off-resonant neighbors appear weak, the tunneling excitations lead to large correlations between distant qubits in the system. Some two-qubit correlation functions are found to increase as a function of distance in the system (in contrast to the typical decay with distance), peaking on the two edge qubits farthest apart from each other.

Universal Scaling of Klein Bottle Entropy near Conformal Critical Points.

We show that the Klein bottle entropy [H.-H. Tu, Phys. Rev. Lett. 119, 261603 (2017)PRLTAO0031-900710.1103/PhysRevLett.119.261603] for conformal field theories perturbed by a relevant operator is a universal function of the dimensionless coupling constant. The universal scaling of the Klein bottle entropy near criticality provides an efficient approach to extract the scaling dimension of lattice operators via data collapse. As paradigmatic examples, we validate the universal scaling of the Klein bottle entropy for Ising and Z_{3} parafermion conformal field theories with various perturbations using numerical simulation with continuous matrix product operator approach.

Non-Markovian effects in stochastic resonance in a two-level system

Stochastic resonance is a phenomenon where the response signal to external driving is enhanced by environmental noise. In quantum regime, the effect of the environment is often intrinsically non-Markovian. Due to the combination of such non-Markovian quantum noise and external driving force, it is difficult to evaluate the correlation function and hence the power spectrum. Nevertheless, a recently developed time-evolving matrix product operators (TEMPO) method and its extensions provide an efficient and numerically exact approach for this task. Using TEMPO, we investigate non-Markovian effects in quantum stochastic resonance in a two-level system. The periodic signal and the time-averaged asymptotic correlation function, along with the power spectrum, are calculated. From the power spectrum, the signal-to-noise ratio is evaluated. It is shown that both signal strength and signal-to-noise ratio are enhanced by non-Markovian effects, which indicates the importance of non-Markovian effects in quantum stochastic resonance. In addition, we show that the non-Markovian effects can shift the peak position of the background noise power spectrum.

Heat current in non-Markovian open systems

We generalize time-evolving matrix product operators method to nonequilibrium quantum transport problems. The nonequilibrium current is obtained via numerical differentiation of the generating functional which is represented as a tensor network. The approach is numerically exact and the non-Markovian effects are fully taken into account. In the transport process, a part of the heat that flows out from a bath flows into the system and other baths, and the rest is stored in the system-bath coupling part. We take the spin-boson model as a demonstration to show the details of this heat flowing and the establishment of a steady current between two baths.

A new general approach for obtaining matrix product operators for spin Hamiltonians with periodic boundary conditions

This article concerns the matrix product operators for one-dimensional spin Hamiltonians under open and periodic boundary conditions. A novel approach called ‘the dynamics of blocks’ is proposed to obtain the matrix product operators in the case of Hamiltonians with periodic boundary conditions. This approach works universally for any Hamiltonian with two-particle as well as single-particle interactions. The main significance of the proposed approach is that, the dimensions of the matrix product operators obtained are the same for both open and periodic boundary conditions. This method gives us a generic way of constructing MPOs for any Hamiltonian with arbitrary neighboring interactions, immaterial of how the interaction strength falls. A general numerical implementation of the ‘dynamics of blocks’ method is also carried out. The DMRG algorithm was implemented, and the ground state eigenvalue was obtained using these MPOs to numerically validate the method.

Classifying phases protected by matrix product operator symmetries using matrix product states

We classify the different ways in which matrix product states (MPSs) can stay invariant under the action of matrix product operator (MPO) symmetries. This is achieved through a local characterization of how the MPSs, that generate a ground space, remain invariant under a global MPO symmetry. This characterization yields a set of quantities satisfying the coupled pentagon equations, associated with a module category over the fusion category that describes the MPO symmetry. Equivalence classes of these quantities provide complete invariants for an MPO symmetry protected phase: they are robust under continuous deformations of the MPS tensor, and two phases with the same equivalence class can be connected by a symmetric gapped path. Our techniques match and extend the known renormalization fixed point classifications and facilitate the numerical study of these systems. For MPO symmetries described by a group, we recover the symmetry protected topological order classification for unique and degenerate ground states. Moreover, we study the interplay between time reversal symmetry and an MPO symmetry and we also provide examples of our classification, together with explicit constructions based on groups. Finally, we elaborate on the connection between our setup and gapped boundaries of two-dimensional topological systems, where MPO symmetries also play a key role.

Kylin 1.0: An ab-initio density matrix renormalization group quantum chemistry program.

The accurate evaluation of electron correlations is highly necessary for the proper descriptions of the electronic structures in strongly correlated molecules, ranging from bond-dissociating molecules, polyradicals, to large conjugated molecules and transition metal complexes. For this purpose, in this paper, a new ab-initio quantum chemistry program Kylin 1.0 for electron correlation calculations at various quantum many-body levels, including configuration interaction (CI), perturbation theory (PT), and density matrix renormalization group (DMRG), is presented. Furthermore, fundamental quantum chemistry methods such as Hartree-Fock self-consistent field (HF-SCF) and the complete active space SCF (CASSCF) are also implemented. The Kylin 1.0 program possesses the following features: (1) a matrix product operator (MPO) formulation-based efficient DMRG implementation for describing static electron correlation within a large active space composed of more than 100 orbitals, supporting both and symmetries; (2) an efficient second-order DMRG-self-consistent field (SCF) implementation; (3) an externally contracted multi-reference CI (MRCI) and Epstein-Nesbet PT with DMRG reference wave functions for including the remaining dynamic electron correlation outside the large active spaces. In this paper, we introduce the capabilities and numerical benchmark examples of the Kylin 1.0 program.

Gauging quantum states with nonanomalous matrix product operator symmetries

Gauging a global symmetry of a system amounts to introducing new degrees of freedom whose transformation rule makes the overall system observe a local symmetry. In quantum systems there can be obstructions to gauging a global symmetry. When this happens the symmetry is dubbed anomalous. Such obstructions are related to the fact that the global symmetry cannot be written as a tensor product of local operators. In this paper we study nonlocal symmetries that have an additional structure: They take the form of a matrix product operator (MPO). We exploit the tensor network structure of the MPOs to construct local operators from them, satisfying the same group relations; that is, we are able to localize even anomalous MPOs. For nonanomalous MPOs, we use these local operators to explicitly gauge the MPO symmetry of a one-dimensional quantum state obtaining nontrivial gauged states. We show that our gauging procedure satisfies all the desired properties that the standard on-site case does. We also show how this procedure is naturally represented in matrix product states protected by MPO symmetries. In the case of anomalous MPOs, we shed light on the obstructions to gauging these symmetries.