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Phase diagrams with real-space mutual information neural estimation

Doruk Efe Gökmen, Zohar Ringel, Sebastian D. Huber, Maciej Koch-Janusz

Published Mar 31, 2021• 0 citations
OpenAlex

Abstract

Real-space mutual information (RSMI) has been shown to be an important quantity, both formally and from numerical standpoint, in constructing coarse-grained descriptions of physical systems. It very generally quantifies spatial correlations, and can give rise to constructive algorithms extracting relevant degrees of freedom. Efficient and reliable estimation or maximization of RSMI is, however, numerically challenging. A recent breakthrough in theoretical machine learning has been the introduction of variational lower bounds for mutual information, parametrized by neural networks. Here we describe in detail how these results can be combined with differentiable coarse-graining operations to develop a single unsupervised neural-network based algorithm, the RSMI-NE, efficiently extracting the relevant degrees of freedom in the form of the operators of effective field theories, directly from real-space configurations. We study the information, e.g. about the symmetries, contained in the ensemble of constructed coarse-graining transformations, and its practical recovery from partial input data using a secondary machine learning analysis applied to this ensemble. We demonstrate how the phase diagram and the order parameters for equilibrium systems are extracted, and consider also an example of a non-equilibrium problem.

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Real-space mutual information (RSMI) has been shown to be an important quantity, both formally and from numerical standpoint, in constructing coarse-grained descriptions of physical systems. It very generally quantifies spatial correlations, and can give rise to constructive algorithms extracting relevant degrees of freedom. Efficient and reliable estimation or maximization of RSMI is, however, numerically challenging. A recent breakthrough in theoretical machine learning has been the introduction of variational lower bounds for mutual information, parametrized by neural networks. Here we describe in detail how these results can be combined with differentiable coarse-graining operations to develop a single unsupervised neural-network based algorithm, the RSMI-NE, efficiently extracting the relevant degrees of freedom in the form of the operators of effective field theories, directly from real-space configurations. We study the information, e.g. about the symmetries, contained in the ensemble of constructed coarse-graining transformations, and its practical recovery from partial input data using a secondary machine learning analysis applied to this ensemble. We demonstrate how the phase diagram and the order parameters for equilibrium systems are extracted, and consider also an example of a non-equilibrium problem.
Real-space mutual information (RSMI) was shown to be an important quantity, formally and from a numerical standpoint, in finding coarse-grained descriptions of physical systems. It very generally quantifies spatial correlations and can give rise to constructive algorithms extracting relevant degrees of freedom. Efficient and reliable estimation or maximization of RSMI is, however, numerically challenging. A recent breakthrough in theoretical machine learning has been the introduction of variational lower bounds for mutual information, parametrized by neural networks. Here we describe in detail how these results can be combined with differentiable coarse-graining operations to develop a single unsupervised neural-network-based algorithm, the RSMI-NE, efficiently extracting the relevant degrees of freedom in the form of the operators of effective field theories, directly from real-space configurations. We study the information contained in the statistical ensemble of constructed coarse-graining transformations and its recovery from partial input data using a secondary machine learning analysis applied to this ensemble. In particular, we show how symmetries, also emergent, can be identified. We demonstrate the extraction of the phase diagram and the order parameters for equilibrium systems and consider also an example of a nonequilibrium problem.
Identifying the relevant degrees of freedom in a complex physical system is a key stage in developing effective theories in and out of equilibrium. The celebrated renormalization group provides a framework for this, but its practical execution in unfamiliar systems is fraught with ad hoc choices, whereas machine learning approaches, though promising, lack formal interpretability. Here we present an algorithm employing state-of-the-art results in machine-learning-based estimation of information-theoretic quantities, overcoming these challenges, and use this advance to develop a new paradigm in identifying the most relevant operators describing properties of the system. We demonstrate this on an interacting model, where the emergent degrees of freedom are qualitatively different from the microscopic constituents. Our results push the boundary of formally interpretable applications of machine learning, conceptually paving the way toward automated theory building.
Recently, a novel real-space renormalization group (RG) algorithm was introduced. By maximizing an information-theoretic quantity, the real-space mutual information, the algorithm identifies the relevant low-energy degrees of freedom. Motivated by this insight, we investigate the information-theoretic properties of coarse-graining procedures for both translationally invariant and disordered systems. We prove that a perfect real-space mutual information coarse graining does not increase the range of interactions in the renormalized Hamiltonian, and, for disordered systems, it suppresses the generation of correlations in the renormalized disorder distribution, being in this sense optimal. We empirically verify decay of those measures of complexity as a function of information retained by the RG, on the examples of arbitrary coarse grainings of the clean and random Ising chain. The results establish a direct and quantifiable connection between properties of RG viewed as a compression scheme and those of physical objects, i.e., Hamiltonians and disorder distributions. We also study the effect of constraints on the number and type of coarse-grained degrees of freedom on a generic RG procedure.
Recently, a novel real-space renormalization group (RG) algorithm was introduced.By maximizing an information-theoretic quantity, the real-space mutual information, the algorithm identifies the relevant lowenergy degrees of freedom.Motivated by this insight, we investigate the information-theoretic properties of coarse-graining procedures for both translationally invariant and disordered systems.We prove that a perfect real-space mutual information coarse graining does not increase the range of interactions in the renormalized Hamiltonian, and, for disordered systems, it suppresses the generation of correlations in the renormalized disorder distribution, being in this sense optimal.We empirically verify decay of those measures of complexity as a function of information retained by the RG, on the examples of arbitrary coarse grainings of the clean and random Ising chain.The results establish a direct and quantifiable connection between properties of RG viewed as a compression scheme and those of physical objects, i.e., Hamiltonians and disorder distributions.We also study the effect of constraints on the number and type of coarse-grained degrees of freedom on a generic RG procedure.
Characterizing correlations in a quantum system on the basis of the results of the projective measurements can be performed with different means including the calculation of the classical mutual information. Generally, estimating such information-entropy-based quantities requires having complete statistics of the system's states. Here we explore the possibility to reconstruct the classical mutual information and specific entropy of a quantum system with a neural network approach on the basis of a limited number of projective measurements. As a prominent example we consider the antiferromagnetic quantum Ising model in transverse and longitudinal magnetic fields which is in demand in both condensed matter physics and quantum computing. We show that the neural network approach gives reliable estimates of the classical mutual information even in the case of paramagnetic wave functions delocalized in the state space. In addition, the phase diagram of the considered quantum system is reconstructed with a special focus on discriminating various types of disordered states.