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Lobachevskii Journal of Mathematics

Transfer Machine Learning of an Anisotropic Model

Diana Sukhoverkhova, Щур Лев Николаевич

Published Jan 1, 2025• 2 citations
Publisher

Abstract

Abstract We investigate the possibility of extracting features of second-order phase transitions using transfer machine learning. We have performed supervised machine learning for binary classification of snapshots of the spin distribution of the isotropic Ising model. The binary classification is performed in ferromagnetic and paramagnetic phases using a known critical temperature. The trained network is used to predict whether a snapshot obtained from model simulations with orthogonal anisotropy belongs to the paramagnetic phase. Using finite-dimensional prediction analysis, we estimate the critical temperature and the exponent of the correlation length. This gives us an estimate of the interval of the anisotropy parameter in which the neural network can make correct estimates.

DOI
10.1134/s1995080224607835

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Abstract We investigate the possibility of extracting features of second-order phase transitions using transfer machine learning. We have performed supervised machine learning for binary classification of snapshots of the spin distribution of the isotropic Ising model. The binary classification is performed in ferromagnetic and paramagnetic phases using a known critical temperature. The trained network is used to predict whether a snapshot obtained from model simulations with orthogonal anisotropy belongs to the paramagnetic phase. Using finite-dimensional prediction analysis, we estimate the critical temperature and the exponent of the correlation length. This gives us an estimate of the interval of the anisotropy parameter in which the neural network can make correct estimates.
Abstract We analyze the Ising model with anisotropic interactions in two dimensions using deep learning neural networks (NN) trained to classify paramagnetic (PM) and ferromagnetic (FM) phases. The spin configurations used as training data are labeled as belonging to either PM state or the FM state using analytically known phase transition temperatures. We use the variation of the output function to determine the critical temperature and to estimate the correlation length critical exponent, ν\nu ν ν , in a wide range of the anisotropy parameter. We find that on increasing the anisotropy, the critical exponent remains consistent with the expected value ν=1\nu {=}1ν=1 ν = 1 for the Ising universality class. At the same time, the NN prediction for the critical temperature, TcT_cTc​ T c , is shifted from the analytically known value, with the magnitude of the shift increasing with anisotropy.
In this paper, we applied a deep neural network to study the issue of knowledge transferability between statistical mechanics models. The following computer experiment was conducted. A convolutional neural network was trained to solve the problem of binary classification of snapshots of the Ising model’s spin configuration on a two-dimensional lattice. During testing, snapshots of the Ising model spins on a lattice with diagonal ferromagnetic and antiferromagnetic connections were fed to the input of the neural network. Estimates of the probability of samples belonging to the paramagnetic phase were obtained from the outputs of the tested network. The analysis of these probabilities allowed us to estimate the critical temperature and the critical correlation length exponent. It turned out that at weak anisotropy the neural network satisfactorily predicts the transition point and the value of the correlation length exponent. Strong anisotropy leads to a noticeable deviation of the predicted values from the precisely known ones. Qualitatively, strong anisotropy is associated with the presence of oscillations of the correlation function above the Stefenson disorder temperature and further approach to the point of the fully frustrated case.
The main question raised in the article is whether a neural network trained on a spin lattice model in one universality class can be used to test a model in another universality class. The quantities of interest are the critical phase transition temperature and the correlation length exponent. In other words, the question of transfer learning is how "universal" the trained network is and under what conditions. For this purpose, we applied a supervised learning procedure to three two-dimensional models for which critical properties are precisely known: The Ising model, the four-state Potts model, and the Baxter-Wu model. We consider two datasets: One with spin configurations and one with binding energy configurations. We find that estimates of the critical temperature agree well with the known results for both datasets, but not with the results of cross-testing using the energy datasets of the two models: The four-state Potts model and the Ising model. Estimates of the critical length exponent are less regular, and appear to be more accurate for energy datasets. A good example is the cross-testing using the energy dataset between the Ising model and the Baxter-Wu model in both training and testing directions.
We propose two machine-learning methods based on neural networks, which we respectively call the phase-classification method and the temperature-identification method, for detecting different types of phase transitions in the XXZ models without prior knowledge of their critical temperatures. The XXZ models have exchange couplings which are anisotropic in the spin space where the strength is represented by a parameter $\mathrm{\ensuremath{\Delta}}(>0)$. The models exhibit second-order phase transition when $\mathrm{\ensuremath{\Delta}}>1$, but the Berezinskii-Kosterlitz-Thouless (BKT) phase transition when $\mathrm{\ensuremath{\Delta}}<1$. In the phase-classification method, the neural network is trained using spin or vortex configurations of well-known classical spin models other than the XXZ models, e.g., the Ising models and the XY models, to classify those of the XXZ models to corresponding phases. We demonstrate that the trained neural network successfully detects the phase transitions for both $\mathrm{\ensuremath{\Delta}}>1$ and $\mathrm{\ensuremath{\Delta}}<1$, and the evaluated critical temperatures coincide well with those evaluated by conventional numerical calculations. In the temperature-identification method, on the other hand, the neural network is trained so as to identify temperatures at which the input spin or vortex configurations are generated by the Monte Carlo thermalization. The critical temperatures are evaluated by analyzing the optimized weight matrix, which coincides with the result of numerical calculation for the second-order phase transition in the Ising-like XXZ model with $\mathrm{\ensuremath{\Delta}}=1.05$ but cannot be determined uniquely for the BKT transition in the XY-like XXZ model with $\mathrm{\ensuremath{\Delta}}=0.95$.
The classification of phase transitions is a central and challenging task in condensed matter physics. Typically, it relies on the identification of order parameters and the analysis of singularities in the free energy and its derivatives. Here, we propose an alternative framework to identify quantum phase transitions, employing both unsupervised and supervised machine learning techniques. Using the axial next-nearest-neighbor Ising (ANNNI) model as a benchmark, we show how unsupervised learning can detect three phases (ferromagnetic, paramagnetic, and a cluster of the antiphase with the floating phase) as well as two distinct regions within the paramagnetic phase. Employing supervised learning we show that transfer learning becomes possible: a machine trained only with nearest-neighbor interactions can learn to identify a new type of phase occurring when next-nearest-neighbor interactions are introduced. All our results rely on few- and low-dimensional input data (up to twelve lattice sites), thus providing a computational friendly and general framework for the study of phase transitions in many-body systems.
Computational models adequately representing phase transitions and evaluating the critical system parameters are essential for the understanding of the properties of a wide range of materials. Here we propose a machine learning (ML)-based approach to the identification of the critical point in anisotropic spin systems. Our approach implies training of a convolutional neural network (CNN) model from the correlation matrices obtained by Monte Carlo simulations. Next, the pretrained model is employed as a fast estimator of the critical temperature, which can be extracted in several complementary ways from the CNN model inference, this way improving the robustness of the analysis. The ML-based estimates obtained in this study are in very good agreement with the reference Monte Carlo simulation results, while computational costs are about 10x lower compared to the classical thermodynamic approach.