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arXiv:2406.13296 · Physical review. E

Critical temperature of the classical XY model via autoencoder latent space sampling

Brandon Willnecker, Mervlyn Moodley

Published Jan 21, 2025• 0 citations
arXivHTMLPDF

Abstract

The classical XY model has been consistently studied since it was introduced more than six decades ago. Of particular interest has been the two-dimensional spin model's exhibition of the Berezinskii-Kosterlitz-Thouless (BKT) transition. This topological phenomenon describes the transition from bound vortex-antivortex pairs at low temperatures to unpaired or isolated vortices and antivortices above some critical temperature. In this work we propose a machine learning based method to determine the emergence of this phase transition. Generating unique states can be difficult due to the U(1) symmetry present. We introduce an auxiliary field (analogous to a vortex density field) corresponding to a given state in order to eliminate the unwanted symmetry. An autoencoder was used to map these auxiliary fields into a lower-dimensional latent space. Samples were taken from this latent space to determine the thermal average of the vortex density, which was then used to determine the critical temperature of the phase transition.

DOI
10.1103/physreve.111.015305

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The classical XY model has been consistently studied since it was introduced more than six decades ago. Of particular interest has been the two-dimensional spin model's exhibition of the Berezinskii-Kosterlitz-Thouless (BKT) transition. This topological phenomenon describes the transition from bound vortex-antivortex pairs at low temperatures to unpaired or isolated vortices and antivortices above some critical temperature. In this work we propose a machine learning based method to determine the emergence of this phase transition. Generating unique states can be difficult due to the U(1) symmetry present. We introduce an auxiliary field (analogous to a vortex density field) corresponding to a given state in order to eliminate the unwanted symmetry. An autoencoder was used to map these auxiliary fields into a lower-dimensional latent space. Samples were taken from this latent space to determine the thermal average of the vortex density, which was then used to determine the critical temperature of the phase transition.
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 $\mathrm{\ensuremath{\Delta}}=0.95$.
Abstract Machine learning (ML) has become a useful tool for studying phase transitions in statistical systems. For the two-dimensional classical XY model, however, the topological character of the Berezinskii–Kosterlitz–Thouless (BKT) transition and pronounced finite-size effects make it nontrivial to extract reproducible size-dependent pseudo-critical temperatures from configuration data. Existing studies often stop at phase classification, leaving open how standard neural-network outputs can be turned into quantitatively testable observables. Here we develop a ML-assisted framework for the 2D XY model that uses standard network outputs to extract a size-dependent sequence of operational pseudo-critical temperatures T ∗ ( L ) . Specifically, we generate Monte Carlo configurations using embedded cluster updates, train a standard ResNet18 only on samples from the Quasi-ordered Phase and the Disordered Phase, and determine T ∗ ( L ) from bootstrap-averaged probability curves using the 50% crossing criterion. We then analyze the finite-size drift of this temperature sequence using BKT-motivated scaling and compare it with susceptibility-peak temperatures. The selected T ∗ ( L ) values display an overall downward finite-size drift compatible with BKT-motivated behavior and lie within the conventional susceptibility fluctuation regime. We further characterize and assess the extracted scale through threshold-sensitivity tests, window-variation analysis, probability calibration, comparison with a simple-physics baseline, vortex-density measurement, input-encoding comparison, and saliency mapping. These diagnostics reveal that while the network response is dominated by macroscopic physical observables, the extracted T ∗ ( L ) is conditional on representation, augmentation, and model-selection protocols. These results demonstrate that standard classifier outputs can be converted into an operational finite-size temperature scale on a well-characterized benchmark model, while also revealing the dependence of that scale on the adopted inference protocol.
The Berezinskii-Kosterlitz-Thouless (BKT) transition is a typical topological phase transition defined between binding and unbinding states of vortices and antivortices, which is not accompanied by spontaneous symmetry breaking. It is known that the BKT transition is difficult to detect from thermodynamic quantities such as specific heat and magnetic susceptibility because of the absence of anomaly in free energy and significant finite-size effects. Therefore, methods based on statistical mechanics which are commonly used to discuss phase transitions cannot be easily applied to the BKT transition. In recent years, several attempts to detect the BKT transition using machine-learning methods based on image recognition techniques have been reported. However, it has turned out that the detection is difficult even for machine learning methods because of the absence of trivial order parameters and symmetry breaking. Most of the methods proposed so far require prior knowledge about the models and/or preprocessing of input data for feature engineering, which is problematic in terms of the general applicability. In this article, we introduce recent development of the machine-learning methods to detect the BKT transitions in several spin models. Specifically, we demonstrate the success of two new methods named temperature-identification method and phase-classification method for detecting the BKT transitions in the q-state clock model and the XXZ model. This progress is expected to sublimate the machine-learning-based study of spin models for exploring new physics beyond simple benchmark test.
The Berezinskii-Kosterlitz-Thouless (BKT) transition in magnetic systems is an intriguing phenomenon, and estimating the BKT transition temperature is a long-standing problem. In this work, we explore anisotropic classical Heisenberg XY and XXZ models with ferromagnetic exchange on a square lattice and antiferromagnetic exchange on a triangular lattice using an unsupervised machine learning approach called principal component analysis (PCA). The earlier PCA studies of the BKT transition temperature (TBKT) using the vorticities as input fail to give any conclusive results, whereas, in this work, we show that the proper analysis of the first principal component-temperature curve can estimateTBKTwhich is consistent with the existing literature. This analysis works well for the anisotropic classical Heisenberg with a ferromagnetic exchange on a square lattice and for frustrated antiferromagnetic exchange on a triangular lattice. The classical anisotropic Heisenberg antiferromagnetic model on the triangular lattice has two close transitions: theTBKTand Ising-like phase transition for chirality atTc, and it is difficult to separate these transition points. It is also noted that using the PCA method and manipulation of their first principal component not only makes the separation of transition points possible but also determines transition temperature.
Abstract In this paper, we thoroughly examined the Berezinskii-Kosterlitz-Thouless (BKT) phase transition in the two-dimensional XY model on the honeycomb lattice. To address its thermodynamical behavior, we combined standard numerical Monte Carlo simulations with the simulated annealing (SA) protocol and entropic simulations based on the Wang-Landau (WL) algorithm. The transition temperature was determined using the second (ϒ) and fourth-order (ϒ4) helicity modulus as the order parameter. Our best finite-size scaling analysis suggests T BKT = 0.575(8) from SA and T BKT = 0.576(3) from WL. These values deviate significantly from the expected theoretical value of 1 / 2 . We believe that this discrepancy suggests that the theoretical assumptions regarding the analytical calculation may need to be revisited. Additionally, we calculated the vortex density and the formation energy of the vortex-antivortex pairs, where the obtained vortex formation energy is 2μ = 5.80(12). Upon comparison with the square lattice, our results support the notion of instability of the honeycomb lattice to support the spin long-range order and give additional backing to the critical behavior we found.