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Dynamical large deviations of two-dimensional kinetically constrained models using a neural-network state ansatz

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 Added by Corneel Casert
 Publication date 2020
  fields Physics
and research's language is English




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We use a neural network ansatz originally designed for the variational optimization of quantum systems to study dynamical large deviations in classical ones. We obtain the scaled cumulant-generating function for the dynamical activity of the Fredrickson-Andersen model, a prototypical kinetically constrained model, in one and two dimensions, and present the first size-scaling analysis of the dynamical activity in two dimensions. These results provide a new route to the study of dynamical large-deviation functions, and highlight the broad applicability of the neural-network state ansatz across domains in physics.

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Here we demonstrate that tensor network techniques - originally devised for the analysis of quantum many-body problems - are well suited for the detailed study of rare event statistics in kinetically constrained models (KCMs). As concrete examples we consider the Fredrickson-Andersen and East models, two paradigmatic KCMs relevant to the modelling of glasses. We show how variational matrix product states allow to numerically approximate - systematically and with high accuracy - the leading eigenstates of the tilted dynamical generators which encode the large deviation statistics of the dynamics. Via this approach we can study system sizes beyond what is possible with other methods, allowing us to characterise in detail the finite size scaling of the trajectory-space phase transition of these models, the behaviour of spectral gaps, and the spatial structure and entanglement properties of dynamical phases. We discuss the broader implications of our results.
82 - Cecile Monthus 2021
The East model is the simplest one-dimensional kinetically-constrained model of $N$ spins with a trivial equilibrium that displays anomalously large spatio-temporal fluctuations, with characteristic space-time bubbles in trajectory space, and with a discontinuity at the origin for the first derivative of the scaled cumulant generating function of the total activity. These striking dynamical properties are revisited via the large deviations at Level 2.5 for the relevant local empirical densities and flows that only involve two consecutive spins. This framework allows to characterize their anomalous rate functions and to analyze the consequences for all the time-additive observables that can be reconstructed from them, both for the pure and for the random East model. These singularities in dynamical large deviations properties disappear when the hard-constraint of the East model is replaced by the soft constraint.
Simple models of irreversible dynamical processes such as Bootstrap Percolation have been successfully applied to describe cascade processes in a large variety of different contexts. However, the problem of analyzing non-typical trajectories, which can be crucial for the understanding of the out-of-equilibrium phenomena, is still considered to be intractable in most cases. Here we introduce an efficient method to find and analyze optimized trajectories of cascade processes. We show that for a wide class of irreversible dynamical rules, this problem can be solved efficiently on large-scale systems.
We describe a simple form of importance sampling designed to bound and compute large-deviation rate functions for time-extensive dynamical observables in continuous-time Markov chains. We start with a model, defined by a set of rates, and a time-extensive dynamical observable. We construct a reference model, a variational ansatz for the behavior of the original model conditioned on atypical values of the observable. Direct simulation of the reference model provides an upper bound on the large-deviation rate function associated with the original model, an estimate of the tightness of the bound, and, if the ansatz is chosen well, the exact rate function. The exact rare behavior of the original model does not need to be known in advance. We use this method to calculate rate functions for currents and counting observables in a set of network- and lattice models taken from the literature. Straightforward ansatze yield bounds that are tighter than bounds obtained from Level 2.5 of large deviations via approximations that involve uniform scalings of rates. We show how to correct these bounds in order to recover the rate functions exactly. Our approach is complementary to more specialized methods, and offers a physically transparent framework for approximating and calculating the likelihood of dynamical large deviations.
In stochastic systems, numerically sampling the relevant trajectories for the estimation of the large deviation statistics of time-extensive observables requires overcoming their exponential (in space and time) scarcity. The optimal way to access these rare events is by means of an auxiliary dynamics obtained from the original one through the so-called ``generalised Doob transformation. While this optimal dynamics is guaranteed to exist its use is often impractical, as to define it requires the often impossible task of diagonalising a (tilted) dynamical generator. While approximate schemes have been devised to overcome this issue they are difficult to automate as they tend to require knowledge of the systems under study. Here we address this problem from the perspective of deep learning. We devise an iterative semi-supervised learning scheme which converges to the optimal or Doob dynamics with the clear advantage of requiring no prior knowledge of the system. We test our method in a paradigmatic statistical mechanics model with non-trivial dynamical fluctuations, the fully packed classical dimer model on the square lattice, showing that it compares favourably with more traditional approaches. We discuss broader implications of our results for the study of rare dynamical trajectories.

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