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Lobachevskii Journal of Mathematics

Supervised Learning in Critical Phenomena—Statistical and Systematic Accuracy

Vladislav Chertenkov, Щур Лев Николаевич

Published Feb 1, 2026• 0 citations
Publisher

Abstract

Abstract Supervised machine learning is successfully applied to the study of critical phenomena and allows us to obtain a numerical estimate of the phase transition temperature and the correlation length exponent. We discuss the influence of possible systematic errors, as well as statistical errors, on the accuracy of such numerical estimates. Errors in the training and testing phases are considered separately. It is important to note that the analysis of functions obtained based on network predictions in the testing phase uses finite-size corrections, which also affect the accuracy of the estimation results.

DOI
10.1134/s1995080225615619

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Abstract Supervised machine learning is successfully applied to the study of critical phenomena and allows us to obtain a numerical estimate of the phase transition temperature and the correlation length exponent. We discuss the influence of possible systematic errors, as well as statistical errors, on the accuracy of such numerical estimates. Errors in the training and testing phases are considered separately. It is important to note that the analysis of functions obtained based on network predictions in the testing phase uses finite-size corrections, which also affect the accuracy of the estimation results.
We analyze the problem of supervised learning of ferromagnetic phase transitions from the statistical physics perspective. We consider two systems in two universality classes, the two-dimensional Ising model and two-dimensional Baxter-Wu model, and perform careful finite-size analysis of the results of the supervised learning of the phases of each model. We find that the variance of the neural network (NN) output function (VOF) as a function of temperature has a peak in the critical region. Qualitatively, the VOF is related to the classification rate of the NN. We find that the width of the VOF peak displays the finite-size scaling governed by the correlation length exponent ν of the universality class of the model. We check this conclusion using several NN architectures-a fully connected NN, a convolutional NN, and several members of the ResNet family-and discuss the accuracy of the extracted critical exponents ν.
Abstract We investigate the connection between the supervised learning of the binary phase classification in the ferromagnetic Ising model and the standard finite-size-scaling theory of the second-order phase transition. Proposing a minimal one-free-parameter neural network model, we analytically formulate the supervised learning problem for the canonical ensemble being used as a training data set. We show that just one free parameter is capable enough to describe the data-driven emergence of the universal finite-size-scaling function in the network output that is observed in a large neural network, theoretically validating its critical point prediction for unseen test data from different underlying lattices yet in the same universality class of the Ising criticality. We also numerically demonstrate the interpretation with the proposed one-parameter model by providing an example of finding a critical point with the learning of the Landau mean-field free energy being applied to the real data set from the uncorrelated random scale-free graph with a large degree exponent.
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.
In recent years Machine Learning has proved to be successful in many technological applications and scientific tasks, such as image and speech recognition, natural language understanding and more. In this work we apply both supervised and unsupervised Machine Learning to three key problems in statistical physics: design of Hamiltonian from data, phase recognition and study of critical properties of a system undergoing phase transition. As an example of model design, we use a dataset with spin configurations and corresponding energies randomly sampled from a one dimensional Ising model. We then make two guesses for the correct Hamiltonian: the former involving interactions of spins with an external local field, the latter involving two body interactions among spins. The coupling constants are determined with a linear penalized regression, comparing the effects of L1 and L2 penalization terms of the cost function. We pay specific attention to the problem of overfitting and to the validation process, which is critical for accepting or rejecting the proposed model. The phase recognition problem is faced with the two dimensional Ising and XY models as examples. After showing the limits of a simple softmax regression for this task, we build suitable neural networks to overcome these limits. In particular, a feed forward network is built and the learning process is investigated for the Ising model; while a more sophisticated convolutional network is proposed for the XY model in order to detect local topological structures. The last part of the work is dedicated to the unsupervised study of phase transitions, and the determination of critical properties (order parameter, critical temperature, critical exponents). The discussed techniques are Principal Component Analysis (PCA) for dimensional reduction and K-means clustering for organizing data into subsets with specific properties. PCA is applied to the two dimensional Ising, Potts and XY models, and it is used to find suitable order parameters. The study of the proposed order parameter as a function of temperature provides evidence of phase transition, and a finite size scaling allows to extrapolate both the critical temperature in the thermodynamic limit, and the ν\nuν critical exponent for the correlation length. K-means clustering is applied to equilibrium configurations of the two dimensional Ising model, before and after the dimensional reduction, and the critical temperature is estimated. Moreover, a clustering of relaxation curves of magnetization in a Monte Carlo dynamics is used to build a phase diagram on the parameter space of temperature and magnetic field. A synergy of C++, Python and Wolfram Mathematica 12.0 is used throughout this work in order to sample input datasets and to build and control customized neural networks and learning tools. The most relevant codes are provided in the appendix.
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.
A universal supervised neural network (NN) relevant to compute the associated criticalities of real experiments studying phase transitions is constructed. The validity of the built NN is examined by applying it to calculate the criticalities of several three-dimensional (3D) models on the cubic lattice, including the classical O(3)O(3)O(3) model, the 5-state ferromagnetic Potts model, and a dimerized quantum antiferromagnetic Heisenberg model. Particularly, although the considered NN is only trained one time on a one-dimensional (1D) lattice with 120 sites, yet it has successfully determined the related critical points of the studied 3D systems. Moreover, real configurations of states are not used in the testing stage. Instead, the employed configurations for the prediction are constructed on a 1D lattice of 120 sites and are based on the bulk quantities or the microscopic states of the considered models. As a result, our calculations are ultimately efficient in computation and the applications of the built NN is extremely broaden. Considering the fact that the investigated systems vary dramatically from each other, it is amazing that the combination of these two strategies in the training and the testing stages lead to a highly universal supervised neural network for learning phases and criticalities of 3D models. Based on the outcomes presented in this study, it is favorably probable that much simpler but yet elegant machine learning techniques can be constructed for fields of many-body systems other than the critical phenomena.