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Physical review. E

Efficient simulations of epidemic models with tensor networks: Application to the one-dimensional susceptible-infected-susceptible model

Wout Merbis, Clélia de Mulatier, Philippe Corboz

Published Aug 8, 2023• 7 citations
Publisher

Abstract

The contact process is an emblematic model of a nonequilibrium system, containing a phase transition between inactive and active dynamical regimes. In the epidemiological context, the model is known as the susceptible-infected-susceptible model, and it is widely used to describe contagious spreading. In this work, we demonstrate how accurate and efficient representations of the full probability distribution over all configurations of the contact process on a one-dimensional chain can be obtained by means of matrix product states (MPSs). We modify and adapt MPS methods from many-body quantum systems to study the classical distributions of the driven contact process at late times. We give accurate and efficient results for the distribution of large gaps, and illustrate the advantage of our methods over Monte Carlo simulations. Furthermore, we study the large deviation statistics of the dynamical activity, defined as the total number of configuration changes along a trajectory, and investigate quantum-inspired entropic measures, based on the second Rényi entropy.

DOI
10.1103/physreve.108.024303

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The contact process is an emblematic model of a nonequilibrium system, containing a phase transition between inactive and active dynamical regimes. In the epidemiological context, the model is known as the susceptible-infected-susceptible model, and it is widely used to describe contagious spreading. In this work, we demonstrate how accurate and efficient representations of the full probability distribution over all configurations of the contact process on a one-dimensional chain can be obtained by means of matrix product states (MPSs). We modify and adapt MPS methods from many-body quantum systems to study the classical distributions of the driven contact process at late times. We give accurate and efficient results for the distribution of large gaps, and illustrate the advantage of our methods over Monte Carlo simulations. Furthermore, we study the large deviation statistics of the dynamical activity, defined as the total number of configuration changes along a trajectory, and investigate quantum-inspired entropic measures, based on the second Rényi entropy.
The contact process is an emblematic model of a non-equilibrium system, containing a phase transition between inactive and active dynamical regimes. In the epidemiological context, the model is known as the susceptible-infected-susceptible (SIS) model, and widely used to describe contagious spreading. In this work, we demonstrate how accurate and efficient representations of the full probability distribution over all configurations of the contact process on a one-dimensional chain can be obtained by means of Matrix Product States (MPS). We modify and adapt MPS methods from many-body quantum systems to study the classical distributions of the driven contact process at late times. We give accurate and efficient results for the distribution of large gaps, and illustrate the advantage of our methods over Monte Carlo simulations. Furthermore, we study the large deviation statistics of the dynamical activity, defined as the total number of configuration changes along a trajectory, and investigate quantum-inspired entropic measures, based on the second Rényi entropy.
Abstract The exact treatment of Markovian models of complex systems requires knowledge of probability distributions exponentially large in the number of components n. Mean-field approximations provide an effective reduction in complexity of the models, requiring only a number of phase space variables polynomial in system size. However, this comes at the cost of losing accuracy close to critical points in the systems dynamics and an inability to capture correlations in the system. In this work, we introduce a tunable approximation scheme for Markovian spreading models on networks based on matrix product states (MPSs). By controlling the bond dimensions of the MPS, we can investigate the effective dimensionality needed to accurately represent the exact 2 n dimensional steady-state distribution. We introduce the entanglement entropy as a measure of the compressibility of the system and find that it peaks just after the phase transition on the disordered side, in line with the intuition that more complex states are at the ‘edge of chaos’. We compare the accuracy of the MPS with exact methods on different types of small random networks and with Markov chain Monte Carlo methods for a simplified version of the railway network of the Netherlands with 55 nodes. The MPS provides a systematic way to tune the accuracy of the approximation by reducing the dimensionality of the systems state vector, leading to an improvement over second-order mean-field approximations for sufficiently large bond dimensions.
This thesis treats the classical simulation of strongly-interacting many-body quantum-mechanical systems in more than one dimension using matrix product states and the more general tensor product states. Contrary to classical systems, quantum many-body systems possess an exponentially larger number of degrees of freedom, thereby significantly complicating their numerical treatment on a classical computer. For this thesis two different representations of quantum many-body states were employed. The first, the so-called matrix product states (MPS) form the basis for the extremely successful density matrix renormalization group (DMRG) algorithm. While originally conceived for one-dimensional systems, MPS are in principle capable of describing arbitrary quantum many-body states. Using concepts from quantum information theory it is possible to show that MPS provide a representation of one-dimensional quantum systems that scales polynomially in the number of particles, therefore allowing an efficient simulation of one-dimensional systems on a classical computer. One of the key results of this thesis is that MPS representations are indeed efficient enough to describe even large systems in two dimensions, thereby enabling the simulation of such systems using DMRG. As a demonstration of the power of the DMRG algorithm, it is applied to the Heisenberg antiferromagnet with spin S=1/2S = 1/2S=1/2 on the kagome lattice. This model's ground state has long been under debate, with proposals ranging from static spin configurations to so-called quantum spin liquids, states where quantum fluctuations destroy conventional order and give rise to exotic quantum orders. Using a fully SU(2)SU(2)SU(2)-symmetric implementation allowed us to handle the exponential growth of entanglement and to perform a large-scale study of this system, finding the ground state for cylinders of up to 700 sites. Despite employing a one-dimensional algorithm for a two-dimensional system, we were able to compute the spin gap (i.e. the energy gap to the first spinful excitation) and study the ground state properties, such as the decay of correlation functions, the static spin structure factors, and the structure and distribution of the nearest-neighbor spin-spin correlations. Additionally, by applying a new tool from quantum information theory, the topological entanglement entropy, we could also with high confidence demonstrate the ground state of this model to be the elusive gapped Z2Z_2Z2​ quantum spin liquid with topological order. To complement this study, we also considered the extension of MPS to higher dimensions, known as tensor product states (TPS). We implemented an optimization algorithm exploiting symmetries for this class of states and applied it to the bilinear-biquadratic-bicubic Heisenberg model with spin S=3/2S=3/2S=3/2 on the z=3z=3z=3 Bethe lattice. By carefully analyzing the simulation data we were able to determine the presence of both conventional and symmetry-protected topological order in this model, thereby demonstrating the analytically predicted existence of the Haldane phase in higher dimensions within an extended region of the phase diagram. Key properties of this symmetry-protected topological order include a doubling of the levels in the entanglement spectrum and the presence of edge spins, both of which were confirmed in our simulations. This finding simultaneously validated the applicability of the novel TPS algorithms to the search for exotic order.
Simulating quantum many-body systems (QMBS) is one of the long-standing, highly non-trivial challenges in condensed matter physics and quantum information due to the exponentially growing size of the system's Hilbert space. To date, tensor networks have been an essential tool for studying such quantum systems, owing to their ability to efficiently capture the entanglement properties of the systems they represent. One of the well-known tensor network architectures, namely matrix product states (MPS), is the standard method for simulating one-dimensional QMBS. Here, we propose a simple, yet efficient, method to augment the already available MPS algorithms to simulate the dynamics of time-dependent Hamiltonians with better accuracy and a faster convergence rate, giving a second-order convergence compared to the first-order convergence of the standard method. We apply our proposed method to simulate the dynamics of a chain of single spins associated with nitrogen-vacancy color centers in diamonds, which has potential applications for practical and scalable quantum technologies, and find that our method improves the average error for a system of few NV centers by a factor of about 1000 for moderate step sizes. Our work paves the way for efficient simulation of QMBS under the influence of time-dependent Hamiltonians.
Abstract We present a collection of methods to simulate entangled dynamics of open quantum systems governed by the Lindblad master equation with tensor network methods. Tensor network methods using matrix product states (MPSs) have been proven very useful to simulate many-body quantum systems and have driven many innovations in research. Since the MPS design is tailored for closed one-dimensional systems governed by the Schrödinger equation, the next step for many-body quantum dynamics is the simulation of one-dimensional open quantum systems. We review the three dominant approaches to the simulation of open quantum systems via the Lindblad master equation: quantum trajectories, matrix product density operators (MPDOs), and locally purified tensor networks. Selected examples guide possible applications of the methods and serve moreover as a benchmark between the techniques. These examples include the finite temperature states of the transverse quantum Ising model, the dynamics of an exciton traveling under the influence of spontaneous emission and dephasing, and a double-well potential simulated with the Bose–Hubbard model including dephasing. We analyze which approach is favorable leading to the conclusion that a complete set of all three methods is most beneficial, pushing the limits of different scenarios. The convergence studies using analytical results for macroscopic variables and exact diagonalization methods as comparison, show, for example, that MPDOs are favorable for the exciton problem in our study. All three methods access the same library, i.e., the software package Open Source Matrix Product States , allowing us to have a meaningful comparison between the different approaches based on the selected examples. For example, tensor operations are accessed from the same subroutines and with the same optimization eliminating one possible bias in a comparison of such numerical methods.
Recent work has shown the effectiveness of tensor network methods for computing large deviation functions in constrained stochastic models in the infinite time limit. Here we show that these methods can also be used to study the statistics of dynamical observables at arbitrary finite time. This is a harder problem because, in contrast to the infinite time case, where only the extremal eigenstate of a tilted Markov generator is relevant, for finite time the whole spectrum plays a role. We show that finite time dynamical partition sums can be computed efficiently and accurately in one dimension using matrix product states and describe how to use such results to generate rare event trajectories on demand. We apply our methods to the Fredrickson-Andersen and East kinetically constrained models and to the symmetric simple exclusion process, unveiling dynamical phase diagrams in terms of counting field and trajectory time. We also discuss extensions of this method to higher dimensions.