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Physics

Machine Learning for Dynamic Critical Exponent Estimation in the Three-Dimensional Ising Model with Limited Computational Resources

Gerardo Alfonso, J. Colchero

Published Jul 19, 2026• 0 citations
Publisher

Abstract

The dynamic critical exponent z describes the divergence of correlation times near a continuous phase transition. Obtaining accurate estimates of z from noisy time series is complex, especially when computational resources are limited. We compare machine learning approaches for estimating z in the three-dimensional Ising model. Data are generated from Monte Carlo simulations on a standard laptop computer, requiring 15 to 20 min of runtime. Twelve time-series features are extracted from the simulation output. We compare linear regression, simple scaling, and ensemble methods. Linear regression achieves a root mean square error of 0.0164 on the validation set with a coefficient of determination R2=0.974. The integrated autocorrelation time logτ shows a near-perfect correlation with z (the correlation value r=0.992), consistent with the system linear size scaling relation τ∼Lz. Autocorrelation features at three lags considered show correlations with z between 0.72 and 0.87. Standardised coefficient analysis indicates that the standard deviation of successive differences and the standard deviation of magnetisation are the dominant predictors in the standardised model, with coefficients of −0.246 and 0.239, respectively. Accurate exponent estimation is possible with minimal computational resources, and fluctuation-based features capture critical slowing down effectively.

DOI
10.3390/physics8030059

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The dynamic critical exponent z describes the divergence of correlation times near a continuous phase transition. Obtaining accurate estimates of z from noisy time series is complex, especially when computational resources are limited. We compare machine learning approaches for estimating z in the three-dimensional Ising model. Data are generated from Monte Carlo simulations on a standard laptop computer, requiring 15 to 20 min of runtime. Twelve time-series features are extracted from the simulation output. We compare linear regression, simple scaling, and ensemble methods. Linear regression achieves a root mean square error of 0.0164 on the validation set with a coefficient of determination R2=0.974. The integrated autocorrelation time logτ shows a near-perfect correlation with z (the correlation value r=0.992), consistent with the system linear size scaling relation τ∼Lz. Autocorrelation features at three lags considered show correlations with z between 0.72 and 0.87. Standardised coefficient analysis indicates that the standard deviation of successive differences and the standard deviation of magnetisation are the dominant predictors in the standardised model, with coefficients of −0.246 and 0.239, respectively. Accurate exponent estimation is possible with minimal computational resources, and fluctuation-based features capture critical slowing down effectively.
We study purely dissipative relaxational dynamics in the three-dimensional Ising universality class. To this end, we simulate the improved Blume-Capel model on the simple cubic lattice by using local algorithms. We perform a finite size scaling analysis of the integrated autocorrelation time of the magnetic susceptibility in equilibrium at the critical point. We obtain z=2.0245(15) for the dynamic critical exponent. As a complement, fully magnetized configurations are suddenly quenched to the critical temperature, giving consistent results for the dynamic critical exponent. Furthermore, our estimate of z is fully consistent with recent field theoretic results.
This dataset and code repository accompanies the article of the same title (version 5, May 2026) and provides all simulation data, source code, and raw terminal output necessary to reproduce and verify the results. Study summary We investigate the critical dynamics of the two-dimensional Ising model at the exact critical point (Tc ≈ 2.269185) using the local Metropolis Monte Carlo algorithm. The central focus is the characterization and comparison of two widely used correlation time estimators: the exponential decay criterion τ₁/e and the integrated autocorrelation time τ_int, following the convention of Sokal (1997). Simulations were performed for seven system sizes L ∈ {16, 24, 32, 48, 64, 96, 128} with up to 50 independent replicas per system size, using both Python (NumPy/PCG64) and C++ (std::mt19937, compiled with -O2) implementations. The two implementations were developed independently, enabling cross-validation of results across languages. Main findings The coefficient of variation (CV = std/mean) of τ_int converges to a physical floor of approximately 0.44–0.52 regardless of the number of replicas (8 or 50) or programming language, confirming that this floor is determined by the physics of the estimator under local Metropolis dynamics at criticality — not by statistical sampling limitations. The distribution of τ₁/e is genuinely bimodal at the critical point: individual replicas alternate between low (~200–500 MC steps) and high (~3000–5000 MC steps) correlation times for the same system size, with mean-to-median ratios of up to 2.6× and bimodal ratios (mean of upper half / mean of lower half) of up to 23.5×. This bimodality does not disappear with more replicas, confirming it is a physical property of the estimator. No detectable power-law scaling τ ~ L^z is found for L ≤ 128 in any of the six independent runs (R² < 0.14 in all log-log fits using all 7 system sizes). The accepted asymptotic value z ≈ 2.17 (Li & Sokal, 1989) implies an expected τ_int of approximately 73,600 MC steps at L = 128 — 76× larger than the observed value of 972. This quantifies the dominance of finite-size corrections in the range studied, and justifies treating the effective dynamic exponent z_eff as a continuously varying quantity rather than a fixed constant. The C++ implementation achieves speedups of 98× to 782× relative to Python depending on system size, enabling the full 50-replica run across all seven system sizes to complete in approximately 33 minutes. Cross-validation caveat Cross-validation between Python and C++ is fully valid for τ₁/e. For τ_int, the Python scripts used a fixed equilibration of n_equil = 3000 steps for all L — documentably insufficient for L ≥ 24 where τ_int > 600 (n_equil/τ < 3–5τ). This generates systematic underestimation of up to 86% at L = 64. The valid cross-validation for τ_int is between the C++-8 and C++-50 runs, where CV agreement (~0.52 in both) confirms the physical floor is robust. Connection to the EIE/ZIE framework This study provides the empirical foundation for the EIE/ZIE adaptive meta-control framework (Patent BR 10 2025 024459 4), justifying three architectural decisions: (1) τ_int as the preferred estimator of the correlation time τ_corr; (2) the effective dynamic exponent z_eff treated as a continuously estimated dynamic variable rather than a fixed constant; and (3) the dynamic freezing time τ_freeze introduced as an observable independent of τ_corr, motivated by the bimodal behavior of τ₁/e which reveals that the system alternates between regimes of high and low correlation persistence — a phenomenon invisible to conventional autocorrelation-based diagnostics. Repository contents Cpp/ — C++ source code (3 scripts) and simulation data (6 CSV files + raw terminal output) Python/ — Python source code (2 scripts) and simulation data (4 CSV files + raw screen output) Paper/ — Article in English (PDF) and Portuguese (PDF) README.md — Full repository documentation including file descriptions, column definitions, reproduction instructions, and physical parameters LICENSE.txt — CC BY 4.0 for data; MIT for code; patent notice Joemerson da Silva Lima — Independent Researcher, Cuiabá, Mato Grosso, Brazil joemerson93lima@gmail.com Patent BR 10 2025 024459 4
We study the critical relaxation of the two-dimensional Ising model from a fully ordered configuration by series expansion in time ttt and by Monte Carlo simulation. Both the magnetization (m)(m)(m) and energy series are obtained up to 12th order. An accurate estimate from series analysis for the dynamical critical exponent zzz is difficult but compatible with 2.2. We also use Monte Carlo simulation to determine an effective exponent, ${z}_{\mathrm{eff}}(t)=\ensuremath{-}\frac{1}{8}d\mathrm{ln}t/d\mathrm{ln}m$, directly from a ratio of three-spin correlation to mmm. Extrapolation to $\stackrel{\ensuremath{\rightarrow}}{t}\ensuremath{\infty}$ leads to an estimate $z=2.169\ifmmode\pm\else\textpm\fi{}0.003$.
We investigate the dynamical critical behavior of the two- and three-dimensional Ising models with Glauber dynamics in equilibrium. In contrast to the usual standing, we focus on the mean-squared deviation of the magnetization M,MSDMM, {\mathrm{MSD}}_{M}M,MSDM​, as a function of time, as well as on the autocorrelation function of MMM. These two functions are distinct but closely related. We find that MSDM{\mathrm{MSD}}_{M}MSDM​ features a first crossover at time ${\ensuremath{\tau}}_{1}\ensuremath{\sim}{L}^{{z}_{1}}$, from ordinary diffusion with ${\mathrm{MSD}}_{M}\ensuremath{\sim}t$, to anomalous diffusion with ${\mathrm{MSD}}_{M}\ensuremath{\sim}{t}^{\ensuremath{\alpha}}$. Purely on numerical grounds, we obtain the values z1=0.45(5){z}_{1}=0.45(5)z1​=0.45(5) and $\ensuremath{\alpha}=0.752(5)$ for the two-dimensional Ising ferromagnet. Related to this, the magnetization autocorrelation function crosses over from an exponential decay to a stretched-exponential decay. At later times, we find a second crossover at time ${\ensuremath{\tau}}_{2}\ensuremath{\sim}{L}^{{z}_{2}}$. Here, MSDM{\mathrm{MSD}}_{M}MSDM​ saturates to its late-time value $\ensuremath{\sim}{L}^{2+\ensuremath{\gamma}/\ensuremath{\nu}}$, while the autocorrelation function crosses over from stretched-exponential decay to simple exponential one. We also confirm numerically the value z2=2.1665(12){z}_{2}=2.1665(12)z2​=2.1665(12), earlier reported as the single dynamic exponent. Continuity of MSDM{\mathrm{MSD}}_{M}MSDM​ requires that $\ensuremath{\alpha}({z}_{2}\ensuremath{-}{z}_{1})=\ensuremath{\gamma}/\ensuremath{\nu}\ensuremath{-}{z}_{1}$. We speculate that z1=1/2{z}_{1}=1/2z1​=1/2 and $\ensuremath{\alpha}=3/4$, values that indeed lead to the expected z2=13/6{z}_{2}=13/6z2​=13/6 result. A complementary analysis for the three-dimensional Ising model provides the estimates ${z}_{1}=1.35(2), \ensuremath{\alpha}=0.90(2)$, and z2=2.032(3){z}_{2}=2.032(3)z2​=2.032(3). While z2{z}_{2}z2​ has attracted significant attention in the literature, we argue that for all practical purposes z1{z}_{1}z1​ is more important, as it determines the number of statistically independent measurements during a long simulation.
While the three-dimensional Ising model has defied analytic solution, various numerical methods like Monte Carlo, Monte Carlo renormalization group, and series expansion have provided precise information about the phase transition. Using Monte Carlo simulation that employs the Wolff cluster flipping algorithm with both 32-bit and 53-bit random number generators and data analysis with histogram reweighting and quadruple precision arithmetic, we have investigated the critical behavior of the simple cubic Ising Model, with lattice sizes ranging from 16^{3} to 1024^{3}. By analyzing data with cross correlations between various thermodynamic quantities obtained from the same data pool, e.g., logarithmic derivatives of magnetization and derivatives of magnetization cumulants, we have obtained the critical inverse temperature K_{c}=0.221654626(5) and the critical exponent of the correlation length ν=0.629912(86) with precision that exceeds all previous Monte Carlo estimates.
Working in and out of equilibrium and using state-of-the-art techniques we have computed the dynamic critical exponent of the three-dimensional Heisenberg model. By computing the integrated autocorrelation time at equilibrium, for lattice sizes L≤64, we have obtained z=2.033(5). In the out-of-equilibrium regime we have run very large lattices (L≤250) obtaining z=2.04(2) from the growth of the correlation length. We compare our values with that previously computed at equilibrium with relatively small lattices (L≤24), with that provided by means a three-loops calculation using perturbation theory and with experiments. Finally we have checked previous estimates of the static critical exponents, η and ν, in the out-of-equilibrium regime.