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Using matrix product states to study the dynamical large deviations of kinetically constrained models

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 Publication date 2019
  fields Physics
and research's language is English




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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.



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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.
The large deviation (LD) statistics of dynamical observables is encoded in the spectral properties of deformed Markov generators. Recent works have shown that tensor network methods are well suited to compute the relevant leading eigenvalues and eigenvectors accurately. However, the efficient generation of the corresponding rare trajectories is a harder task. Here we show how to exploit the MPS approximation of the dominant eigenvector to implement an efficient sampling scheme which closely resembles the optimal (so-called Doob) dynamics that realises the rare events. We demonstrate our approach on three well-studied lattice models, the Fredrickson-Andersen and East kinetically constrained models (KCMs), and the symmetric simple exclusion process (SSEP). We discuss how to generalise our approach to higher dimensions.
We adapt the time-evolving block decimation (TEBD) algorithm, originally devised to simulate the dynamics of 1D quantum systems, to simulate the time-evolution of non-equilibrium stochastic systems. We describe this method in detail; a systems probability distribution is represented by a matrix product state (MPS) of finite dimension and then its time-evolution is efficiently simulated by repeatedly updating and approximately re-factorizing this representation. We examine the use of MPS as an approximation method, looking at parallels between the interpretations of applying it to quantum state vectors and probability distributions. In the context of stochastic systems we consider two types of factorization for use in the TEBD algorithm: non-negative matrix factorization (NMF), which ensures that the approximate probability distribution is manifestly non-negative, and the singular value decomposition (SVD). Comparing these factorizations we find the accuracy of the SVD to be substantially greater than current NMF algorithms. We then apply TEBD to simulate the totally asymmetric simple exclusion process (TASEP) for systems of up to hundreds of lattice sites in size. Using exact analytic results for the TASEP steady state, we find that TEBD reproduces this state such that the error in calculating expectation values can be made negligible, even when severely compressing the description of the system by restricting the dimension of the MPS to be very small. Out of the steady state we show for specific observables that expectation values converge as the dimension of the MPS is increased to a moderate size.
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 (FA) and East kinetically constrained models, and to the symmetric simple exclusion process (SSEP), unveiling dynamical phase diagrams in terms of counting field and trajectory time. We also discuss extensions of this method to higher dimensions.
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.
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