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arXiv:1810.11503 · Physical review. B./Physical review. B

Machine learning determination of dynamical parameters: The Ising model case

Guido Cossu, Luigi Del Debbio, Tommaso Giani, Ava Khamseh, Michael Wilson

Published Aug 7, 2019• 41 citations
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Abstract

We train a set of restricted Boltzmann machines (RBMs) on one- and two-dimensional Ising spin configurations at various values of temperature, generated using Monte Carlo simulations. We validate the training procedure by monitoring several estimators, including measurements of the log likelihood, with the corresponding partition functions estimated using annealed importance sampling. The effects of various choices of hyperparameters on training the RBM are discussed in detail, with a generic prescription provided. Finally, we present a closed-form expression for extracting the values of couplings, for every $n$-point interaction between the visible nodes of an RBM, in a binary system such as the Ising model. We aim at using this study as the foundation for further investigations of less well-known systems.

DOI
10.1103/physrevb.100.064304

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We train a set of restricted Boltzmann machines (RBMs) on one- and two-dimensional Ising spin configurations at various values of temperature, generated using Monte Carlo simulations. We validate the training procedure by monitoring several estimators, including measurements of the log likelihood, with the corresponding partition functions estimated using annealed importance sampling. The effects of various choices of hyperparameters on training the RBM are discussed in detail, with a generic prescription provided. Finally, we present a closed-form expression for extracting the values of couplings, for every nnn-point interaction between the visible nodes of an RBM, in a binary system such as the Ising model. We aim at using this study as the foundation for further investigations of less well-known systems.
The restricted Boltzmann machine (RBM) is a two-layer energy-based model that uses its hidden-visible connections to learn the underlying distribution of visible units, whose interactions are often complicated by high-order correlations. Previous studies on the Ising model of small system sizes have shown that RBMs are able to accurately learn the Boltzmann distribution and reconstruct thermal quantities at temperatures away from the critical point Tc. How the RBM encodes the Boltzmann distribution and captures the phase transition are, however, not well explained. In this work, we perform RBM learning of the 2d and 3d Ising model and carefully examine how the RBM extracts useful probabilistic and physical information from Ising configurations. We find several indicators derived from the weight matrix that could characterize the Ising phase transition. We verify that the hidden encoding of a visible state tends to have an equal number of positive and negative units, whose sequence is randomly assigned during training and can be inferred by analyzing the weight matrix. We also explore the physical meaning of the visible energy and loss function (pseudo-likelihood) of the RBM and show that they could be harnessed to predict the critical point or estimate physical quantities such as entropy.
We study the features extracted by the Restricted Boltzmann Machine (RBM) when it is trained with spin configurations of Ising model at various temperatures. Using the trained RBM, we obtain the flow of iterative reconstructions (RBM flow) of the spin configurations and find that in some cases the flow approaches the phase transition point T=TcT=T_cT=Tc​ in Ising model. Since the extracted features are emphasized in the reconstructed configurations, the configurations at such a fixed point should describe nothing but the extracted features. Then we investigate the dependence of the fixed point on various parameters and conjecture the condition where the fixed point of the RBM flow is at the phase transition point. We also provide supporting evidence for the conjecture by analyzing the weight matrix of the trained RBM.
Machine learning methods are powerful in distinguishing different phases of matter in an automated way and provide a new perspective on the study of physical phenomena.We train a restricted Boltzmann machine (RBM) on data constructed with spin configurations sampled from the Ising Hamiltonian at different values of temperature and external magnetic field using Monte Carlo methods.From the trained machine we obtain the flow of iterative reconstruction of spin state configurations to faithfully reproduce the observables of the physical system.We find that the flow of the trained RBM approaches the spin configurations of the maximal possible specific heat which resemble the near-criticality region of the Ising model.In the special case of the vanishing magnetic field the trained RBM converges to the critical point of the renormalization group (RG) flow of the lattice model.Our results suggest an explanation of how the machine identifies the physical phase transitions, by recognizing certain properties of the configuration like the maximization of the specific heat, instead of associating directly the recognition procedure with the RG flow and its fixed points.Then from the reconstructed data we deduce the critical exponent associated with the magnetization to find satisfactory agreement with the actual physical value.We assume no prior knowledge about the criticality of the system and its Hamiltonian.
We investigate the performance of machine learning algorithms trained exclusively with configurations obtained from importance sampling Monte Carlo simulations of the two-dimensional Ising model with conserved magnetization. For supervised machine learning, we use convolutional neural networks and find that the corresponding output not only allows to locate the phase transition point with high precision, it also displays a finite-size scaling characterized by an Ising critical exponent. For unsupervised learning, restricted Boltzmann machines (RBM) are trained to generate new configurations that are then used to compute various quantities. We find that RBM generates configurations with magnetizations and energies forbidden in the original physical system. The RBM generated configurations result in energy density probability distributions with incorrect weights as well as in wrong spatial correlations. We show that shortcomings are also encountered when training RBM with configurations obtained from the non-conserved Ising model.
Deep Neural Network (DNN) has been very successful.Especially, unsupervised DNN can extract the features of complicated dataset without any prior knowledge.However, theoretical understanding of how it extracts the features and what it extracts as the features is not clear.We investigate these questions from the theoretical physics point of view by using the Restricted Boltzmann Machine (RBM) and the Autoencoder (AE) trained by spin configurations of the Ising model.In order to explore the features RBM and AE extract, we train them by spin configurations of the 2-dimensional Ising model and construct a flow of its parameters (in particular temperature) generated by the trained RBM and AE.This flow is motivated by the renormalization group flow of statistical model.It is thought that this flow emphasizes the "relevant" features the unsupervised networks learn, and eliminate "irrelevant" information from the dataset.We show that the RBM trained by spin configurations at various temperatures generates a flow on which the temperature approaches the critical temperature T c ≃ 2.27 if the number of visible units is less than hidden units.Unlike the RBM case, the temperature of the fixed points of AE trained sufficiently is lower than the critical temperature if AE is sufficiently trained (5000 epochs).On the other hand, if the learning epochs are 1000, the fixed point temperature monotonically increase with the number of hidden units.We also analyze the weight matrices by singular value decomposition in order to read out the information RBM and AE learn.4 Autoencoder 4.1 Setup . . . . . .
Lately, there has been an extensive state-of-the-art research in Machine Learning methods, due to their important features such as universality in approximations and dimensional reduction. In this way, the present work aims at exploiting these properties of Machine Learning on physical many-body problems, in which a restricted Boltzmann Machine (RBM) is trained with quantum Monte Carlo data to best represent the ground state of an N spin system under the transverse field Ising model Hamiltonian in one dimension. During the path coursed along the development of this project, we first review classical well-implemented methods such as the single-layer perceptron, multi-layer perceptron for the XOR problem with back-propagation algorithm, discrete Hopfield network for pattern reconstruction, continuous Hopfield network with Simulated Annealing for solving the traveling salesman problem with 10 cities and the Boltzmann machine for feature extraction. Then, we review a few aspects of what is called a Quantum Boltzmann Machine and the basics of the transverse field Ising model. Finally, we train an RBM consisting of N visible neurons, hidden density neurons alpha=M/N=2 and 1-step contrastive divergence (CD_1), by minimizing the Kullbach-Liebler divergence of the RBM and the training data set coming from the algorithmic variant of quantum Monte Carlo, known as discrete Path-Integral Monte Carlo. For this last step, we use Trotter-Suzuki decomposition with m Trotter slices and the Wolff-s cluster algorithm. After training the RBM, we calculate magnetic observables based on the RBM-s wave-function such as longitudinal and transverse magnetization, for different values of transverse field and we do an estimation of the critical field at which the transverse Ising model system suffers a quantum phase transition from ferromagnet to paramagnet