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Capturing the Universality Class of the 2D Ising Model via Symmetry-Corrected Machine Learning and Finite-Size Scaling

Ali Tozar

Published Jan 1, 2026• 0 citations
Publisher

Abstract

Replication Data and Code for: "Capturing the Universality Class of the 2D Ising Model via Symmetry-Corrected Machine Learning and Finite-Size Scaling" This repository contains the complete source code, simulation datasets, and analysis scripts required to reproduce all findings presented in the associated manuscript. The study introduces a symmetry-corrected machine learning pipeline (Gauge-Fixed PCA + Logistic Regression) to identify phase transitions and estimate critical temperatures with high precision, validated on the two-dimensional Ising model. Repository Contents: 01_generate_data.py — Generates 2D Ising model spin configurations using the Wolff cluster algorithm. Produces equilibrium datasets for lattice sizes L∈{32,48,64,96}L \in \{32, 48, 64, 96\} L∈{32,48,64,96} with 10,000 independent configurations per temperature point. 02_analysis_pipeline_v2.py — Core analysis script: performs gauge fixing (σ′=σ⋅sgn(m)\sigma' = \sigma \cdot \mathrm{sgn}(m) σ′=σ⋅sgn(m)), PCA dimensionality reduction (d=16d = 16 d=16, cross-validated), confusion-scheme classification with parabolic sub-grid interpolation, bootstrap uncertainty quantification (Nboot=50N_{\rm boot} = 50 Nboot=50), and pFMp_{\rm FM} pFM computation with isotonic calibration. Outputs summary_ml_v2.json. 03_plot_main_figures.py — Reproduces Figures 1–6 of the main manuscript. 04_plot_supplementary_v2.py — Reproduces Supplementary Figures S1–S5 and Table 1. ablation_preprocessing_S5.py — Standalone preprocessing ablation script: runs raw and ∣m∣|m| ∣m∣-only comparisons and generates Supplementary Figure S5. Does not modify main results. summary_ml_v2.json — Pre-computed results (gauge-fixed pipeline) for immediate reproduction of all main figures without re-running Monte Carlo simulations. summary_ml_v2_raw.json — Pre-computed ablation results: raw (no gauge fixing) preprocessing, L∈{32,64,96}L \in \{32, 64, 96\} L∈{32,64,96}. summary_ml_v2_absm.json — Pre-computed ablation results: ∣m∣|m| ∣m∣-only preprocessing, L∈{32,64,96}L \in \{32, 64, 96\} L∈{32,64,96}. Table1_Tc_Comparison.tex — LaTeX source for Table 1. requirements.txt — Python dependencies. README.txt — Step-by-step reproduction instructions. Methodology Highlights: System sizes: L∈{32,48,64,96}L \in \{32, 48, 64, 96\} L∈{32,48,64,96} 10,000 independent configurations per temperature point; Wolff cluster algorithm with 10410^4 104 thermalization steps Symmetry correction: global Z2\mathbb{Z}_2 Z2 gauge fixing prior to PCA Confusion scheme: validation cross-entropy minimization over T0∈[2.10,2.45]T_0 \in [2.10, 2.45] T0∈[2.10,2.45] (60 candidate values, band Δ=0.05\Delta = 0.05 Δ=0.05, 5-fold CV) Bootstrap: 50 configuration-level resamples; parabolic sub-grid interpolation for discretization bias reduction Key result: Tc≈2.2717(8)T_c \approx 2.2717(8) Tc≈2.2717(8) for L=96L = 96 L=96 (0.6%0.6\% 0.6% from Onsager); universality class confirmed via FSS data collapse with ν=1\nu = 1 ν=1

DOI
10.5281/zenodo.18235186

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Critical dynamics of the two-dimensional Ising model: a reference study of correlation times using the Metropolis Monte Carlo method

Joemerson Lima

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

•May 14, 2026•0 citations

Data and code for "Energy-selective quantum search with Ising Hamiltonian phase oracles"

Andrey Zhukov, Andrey Zhukov, Andrey Lebedev +1 more

This archive contains the numerical data and scripts used to generate the figures for the paper “Energy-selective quantum search with Ising Hamiltonian phase oracles”. The main numerical dataset is used for the scaling analysis of the correlation-induced resonance displacement φ₀ in the zero-field random Ising ensemble. The simulations use dimensionless units with σ_J = 1 and the Hamiltonian H(s) = 2 sum_{i<j} J_ij s_i s_j, where the couplings are independent Gaussian random variables, J_ij ~ N(0, 1), and h_i = 0. For each random Ising instance, the archive stores the truncated characteristic-function coefficients g_m = 2^{-n} Tr exp(-i m T H), m = 0, ..., 15. These coefficients are used to extract the local displacement φ₀ from the zero of the imaginary part of the response function C(φ) = 2 sum_{m=0}^{15} g_m (-1)^m exp(i m φ) - 1. The quantity plotted in the paper is the disorder-averaged second moment <φ₀²> and the scaled combination n⁶<φ₀²>. The Monte Carlo average is over independent disorder realizations only. For each realization, the trace over spin configurations is evaluated deterministically. The data cover even system sizes n = 18, 20, 22, ..., 36. For the largest systems, the computation splits the spins into two equal halves, performs GPU block contractions, and uses the zero-field spin-flip symmetry H(s)=H(-s) to reduce the sum by a factor of two. Archive contents - scripts/01_generate_phi0_coefficients.py Generates the characteristic-function coefficient files g_m for the random Ising ensemble. - scripts/02_analyze_phi0_scaling.py Computes φ₀, bootstrap confidence intervals, the finite-n covariance-sum comparison, and the scaling plots. - scripts/03_make_gaussian_amplification.py Generates the Gaussian amplification figure used as Fig. 1 in the paper. - data/phi0_coefficients/ Directory for the NumPy .npz files containing the characteristic-function coefficients. The production files have names of the form Nq_<n>_K_<K>.npz. The .npz files are saved without pickle objects. They can be read with standard NumPy using np.load. Typical usage To regenerate the Gaussian amplification figure: python scripts/03_make_gaussian_amplification.py --output-dir output/fig1_gaussian To analyze the φ₀ scaling data: python scripts/02_analyze_phi0_scaling.py \ --data-dir data/phi0_coefficients \ --output-dir output/phi0_scaling To run a short test calculation of the characteristic-function coefficients: python scripts/01_generate_phi0_coefficients.py \ --smoke-test \ --output-dir output/smoke_test_coefficients To regenerate the full production dataset on a CUDA-capable GPU: python scripts/01_generate_phi0_coefficients.py \ --production \ --output-dir data/phi0_coefficients The production calculations were performed using CuPy on an NVIDIA GPU. The analysis and plotting scripts use NumPy, pandas, and Matplotlib.

•May 25, 2026•0 citations

Towards near-term quantum simulation of materials

Laura Clinton, Toby S. Cubitt, Brian Flynn +6 more

Overview of data provided in support of Towards near-term quantum simulation of materials Contents of this folder: `analyse_materials_results.py`: script used to generate the summary tables and figures presented in the manuscript. `towards_quantum_simulation_data`: raw data used and produced when studying various 3D materials. `towards_quantum_simulation_analysis`: tables (in `.tex` format) and figures (as PDFs) presented in the manuscript. The contents of `towards_quantum_simulation_analysis` were generated by `analyse_materials_results.py`, i.e. the user need not run the script to produce the output files. Users can generate these analyses directly by running ```python analyse_materials_results.py```, though note the following packages will first need to be installed: `pandas >= 1.2.3` `numpy >= 1.23` `seaborn >= 0.11.1` `lfig >= 0.1.3` `matplotlib > 3.7.0` Included data Within `towards_quantum_simulation_data`, there are subfolders for each of the materials described in the manuscript, i.e. `SrVO3`, `GaAs`, `H3S`, `Si`, `Li2CuO2`. Within each material's folder are further subfolders for the `hamiltonian` and `encoding` used to represent the material, as well as subfolders for each of the `algorithms` studied. `hamiltonian`: files which specify the Hamiltonian for the material under study. There are a number of files `interactions.json` Hamiltonian terms in terms of Majorana monomials. `map_majorana_to_mode.json` keys are Majorana indices; values are the mode index to which they are associated. `map_mode_to_group.json` keys are mode indices; values are the group (or site) index to which they are associated. `map_group_to_position.json` keys are group indices; values are the corresponding 3D Cartesian coordinates of the lattice used to represent the material. `stage_data.json` contains key/value pairs of any other fields of interest. `encoding` files which specify the fermionic encoding which is customised for the material under study. `encoding.json` which details the edges of the hybrid compact encoding described in Section VI of the supplementary material. `precompiler.json` contains all the information which permits the encoding construction, including the Hamiltonian terms (`_interactions`) which match those in `hamiltonian/interactions.json`. The same mappings as present in the Hamiltonian data(a.g. `map_group_to_position`). `stage_data.json` contains key/value pairs of any other fields of interest. `algorithms` contains subfolders for each of the algorithms desribed in the manuscript Those explored for circuits depths: `TDSSplitTermsPriorityCircuitDepth` (TDS in the manuscript) `TDSSplitTermsPriorityCircuitDepthNoSwapNetwork` (TDS\*) `VQESplitTerms` (VQE) `VQESplitTermsNoSwapNetwork` (VQE*) each of which contain the files, inside the `circuitry` folder: `circuit_terms.csv`, which lists each individual term, together with their Pauli string and rotation angle, required to construct the corresponding quantum circuit `circuit_layers_to_implement.csv` groups the same terms into layers to achieve parallelism in the circuit. `stage_data.json` contains key/value pairs of any other fields of interest. and those used to compose measurement layers, as outlined in Section VII D of the supplementary material: `MeasurementCommutativity` `MeasurementNaiveQubitwise` `MeasurementNonCrossing` each of which contain the files, inside the `compilation` folder: `layers.csv` lists the terms which may be measured simultaneously to achieve the measurement strategies shown in Table S14. `stage_data.json` contains key/value pairs of any other fields of interest. CSV files In `towards_quantum_simulation_data`, there are unified CSV files containing the results of applying the procedures described in the manuscript to the target materials. `circuit_costs.csv`: results of running the circuit compiler described in the manuscript. `measurements.csv`: results of running the measurement compiler described in the manuscript. These CSVs are used in the analysis script `analyse_materials_results.py` to produce the figures and tables presented in the manuscript.

arXiv:2205.15256•May 30, 2022•8 citations

Stability of the universality class of phase transitions against spin interaction variations in the clean two-dimensional square-lattice Ising chain

Khansaa Y. Taha, Ahmed K. Ibrahim

We perform a comprehensive numerical study of how variations in microscopic coupling strength affect critical behavior in the two-dimensional Ising model. Using extensive Monte Carlo simulations based on the Wolff cluster algorithm, we investigate the clean Ising model on a square lattice for interaction strengths in the range 0.80 ≤ J ≤ 1.20. While the exact solution at J = 1 has long established the model’s critical properties, a systematic numerical assessment of universality under continuous coupling rescaling has not been performed. Here, we address this gap by analyzing systems of linear size L = 20 − 500, allowing for high-precision finite-size scaling of thermodynamic observables. For each coupling, the critical temperature T_C(J) is determined via finite-size extrapolation of the susceptibility maxima, yielding results in quantitative agreement with Onsager’s exact prediction. At the extrapolated critical points, we extract the critical exponents ν, β, γ, and α through detailed scaling analyses. These exponents remain consistent with the exact Ising benchmarks across the full range of interaction strengths, confirming that the universal aspects of the phase transition are preserved. Our findings demonstrate that modifying the microscopic coupling strength rescales the critical temperature without altering the asymptotic critical behavior, thereby providing a clear and quantitative confirmation of the robustness of the two-dimensional Ising universality class.

Journal of university of Anbar for pure science•Aug 1, 2026•0 citations

Sensing with discrete time crystals

Moon, Leo, Schindler, Paul, Smith, Ryan +4 more

# Sensing with discrete time crystals Data Repository This repository contains experimental data, simulation results, and analysis code for Discrete Time Crystal (DTC) sensing research. The data is organized by figure numbers corresponding to the main manuscript and supplementary materials. ## Repository Structure ``` DTC_sensing_Zenodo_Repo/ │ ├── data/ # All experimental and processed data │ ├── raw/ # Raw experimental data files │ │ ├── fig-1/ # Figure 1 raw data │ │ ├── fig-2/ # Figure 2 raw data (fig-2b, fig-2c) │ │ ├── fig-3/ # Figure 3 raw data (fig-3a, fig-3b, fig-3c) │ │ ├── fig-4/ # Figure 4 raw data │ │ └── fig-S1/ through fig-S18/ # Supplementary figures raw data │ │ │ └── processed/ # Processed and analyzed data │ ├── fig-3/ # Processed data for Figure 3 │ └── fig-S14/ # Processed data for Figure S14 │ ├── src_code/ # Source code for analysis and simulations │ ├── simulations/ # Simulation code │ │ ├── SingleToneDTC/ # Single-tone DTC simulations │ │ ├── TwoToneDTC/ # Two-tone DTC simulations │ │ ├── helper.py # Helper functions │ │ ├── setup_system.py # System setup utilities │ │ └── systems.yaml # System configuration parameters │ │ │ └── utils/ # Utility functions │ ├── plotting_utils.py # Plotting and visualization utilities │ └── simulation_utils.py # Simulation utilities │ └── visual_elements/ # Code and notebooks for figure generation ├── main/ # Main manuscript figures │ ├── fig-1/ # Figure 1 generation code │ ├── fig-2/ # Figure 2 generation code │ ├── fig-3/ # Figure 3 generation code │ └── fig-4/ # Figure 4 generation code │ └── supmat/ # Supplementary material figures └── fig-S1/ through fig-S18/ # Supplementary figure generation code ``` ## Data Description ### Raw Data (`data/raw/`) The raw data directory contains experimental measurements organized by figure number: - **File Formats:** - `.mat` files: MATLAB data files containing experimental measurements from the Proteus P9484M NMR spectrometer - `.csv` files: CSV files containing contour and magnetometer data (fig-S1) - `.hdf5` files: HDF5 files containing simulation results (fig-S13-S16) - `.npy` files: NumPy array files - **Data Organization:** - **Main Figures (fig-1 through fig-4):** Core experimental results - **Supplementary Figures (fig-S1 through fig-S18):** Additional experimental data, simulations, and analysis ### Processed Data (`data/processed/`) Processed data contains analyzed and pre-computed results: - **File Formats:** - `.npy` files: NumPy arrays containing processed experimental data - **Available Processed Data:** - `fig-3/`: Processed data for Figure 3 (fig-3a, fig-3b) - `fig-S14/`: Processed data for Figure S14 (AC phase scans, frequency scans, Vpp scans) ## Source Code ### Simulation Code (`src_code/simulations/`) - **SingleToneDTC/**: Code for single-tone DTC simulations - **TwoToneDTC/**: Code for two-tone DTC simulations - **systems.yaml**: Configuration file defining system parameters (N, rmin, rmax, gamma, theta, tau, etc.) - **helper.py**: Helper functions for simulations - **setup_system.py**: System setup and initialization utilities ### Utility Functions (`src_code/utils/`) - **plotting_utils.py**: Functions for data visualization, including matplotlib configuration and plotting routines - **simulation_utils.py**: Utilities for running and analyzing simulations ## Figure Generation ### Visualization Code (`visual_elements/`) Each figure directory contains: - **Jupyter notebooks** (`.ipynb`): Interactive notebooks for data analysis and figure generation OR - **Python scripts** (`.py`): Standalone scripts for figure generation - **Output files** (`.pdf`, `.svg`): Generated figure files ## Requirements All required Python packages are listed in `requirements.txt`. Key dependencies include: - **NumPy** (2.3.5): Numerical computations - **SciPy** (1.16.3): Scientific computing and data analysis - **Matplotlib** (3.10.7): Plotting and visualization - **h5py** (3.15.1): HDF5 file handling - **Pandas** (2.3.3): Data manipulation - **Jupyter/IPython**: Interactive notebooks - **PyYAML** (6.0.3): Configuration file parsing To install dependencies: ```bash pip install -r requirements.txt ``` ## Data Access ### Reading Raw Data Raw experimental data is stored in MATLAB `.mat` format. To read these files in Python: ```python from scipy.io import loadmat data_dict = loadmat('path/to/file.mat') ``` ## Usage 1. **Install dependencies**: `pip install -r requirements.txt` 2. **Navigate to figure directory**: Each figure has its own directory in `visual_elements/` 3. **Run analysis**: Open the Jupyter notebook (`.ipynb`) or Python script (`.py`) for the desired figure 4. **Data paths**: The code assumes data is in the `data/` directory relative to the repository root ## Notes - Raw data files are named with timestamps (e.g., `2024-06-06-125713_Proteus.mat`) indicating when measurements were taken - Some figures contain subdirectories (e.g., `fig-2b/`, `fig-2c/`) for different panels - The repository structure follows the organization of figures in the associated publication

•Nov 28, 2025•1 citation

Capturing the universality class of the 2D ising model via symmetry-corrected machine learning and finite-size scaling

Ali Tozar

Physica A Statistical Mechanics and its Applications•Mar 22, 2026•0 citations
Replication Data and Code for: "Capturing the Universality Class of the 2D Ising Model via Symmetry-Corrected Machine Learning and Finite-Size Scaling" This repository contains the complete source code, simulation datasets, and analysis scripts required to reproduce all findings presented in the associated manuscript. The study introduces a symmetry-corrected machine learning pipeline (Gauge-Fixed PCA + Logistic Regression) to identify phase transitions and estimate critical temperatures with high precision, validated on the two-dimensional Ising model. Repository Contents: 01_generate_data.py — Generates 2D Ising model spin configurations using the Wolff cluster algorithm. Produces equilibrium datasets for lattice sizes L∈{32,48,64,96}L \in {32, 48, 64, 96} L∈{32,48,64,96} with 10,000 independent configurations per temperature point. 02_analysis_pipeline_v2.py — Core analysis script: performs gauge fixing (σ′=σ⋅sgn(m)\sigma' = \sigma \cdot \mathrm{sgn}(m) σ′=σ⋅sgn(m)), PCA dimensionality reduction (d=16d = 16 d=16, cross-validated), confusion-scheme classification with parabolic sub-grid interpolation, bootstrap uncertainty quantification (Nboot=50N_{\rm boot} = 50 Nboot=50), and pFMp_{\rm FM} pFM computation with isotonic calibration. Outputs summary_ml_v2.json. 03_plot_main_figures.py — Reproduces Figures 1–6 of the main manuscript. 04_plot_supplementary_v2.py — Reproduces Supplementary Figures S1–S5 and Table 1. ablation_preprocessing_S5.py — Standalone preprocessing ablation script: runs raw and ∣m∣|m| ∣m∣-only comparisons and generates Supplementary Figure S5. Does not modify main results. summary_ml_v2.json — Pre-computed results (gauge-fixed pipeline) for immediate reproduction of all main figures without re-running Monte Carlo simulations. summary_ml_v2_raw.json — Pre-computed ablation results: raw (no gauge fixing) preprocessing, L∈{32,64,96}L \in {32, 64, 96} L∈{32,64,96}. summary_ml_v2_absm.json — Pre-computed ablation results: ∣m∣|m| ∣m∣-only preprocessing, L∈{32,64,96}L \in {32, 64, 96} L∈{32,64,96}. Table1_Tc_Comparison.tex — LaTeX source for Table 1. requirements.txt — Python dependencies. README.txt — Step-by-step reproduction instructions. Methodology Highlights: System sizes: L∈{32,48,64,96}L \in {32, 48, 64, 96} L∈{32,48,64,96} 10,000 independent configurations per temperature point; Wolff cluster algorithm with 10410^4 104 thermalization steps Symmetry correction: global Z2\mathbb{Z}_2 Z2 gauge fixing prior to PCA Confusion scheme: validation cross-entropy minimization over T0∈[2.10,2.45]T_0 \in [2.10, 2.45] T0∈[2.10,2.45] (60 candidate values, band Δ=0.05\Delta = 0.05 Δ=0.05, 5-fold CV) Bootstrap: 50 configuration-level resamples; parabolic sub-grid interpolation for discretization bias reduction Key result: Tc≈2.2717(8)T_c \approx 2.2717(8) Tc≈2.2717(8) for L=96L = 96 L=96 (0.6%0.6% 0.6% from Onsager); universality class confirmed via FSS data collapse with ν=1\nu = 1 ν=1
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
This archive contains the numerical data and scripts used to generate the figures for the paper “Energy-selective quantum search with Ising Hamiltonian phase oracles”. The main numerical dataset is used for the scaling analysis of the correlation-induced resonance displacement φ₀ in the zero-field random Ising ensemble. The simulations use dimensionless units with σ_J = 1 and the Hamiltonian H(s) = 2 sum_{i<j} J_ij s_i s_j, where the couplings are independent Gaussian random variables, J_ij ~ N(0, 1), and h_i = 0. For each random Ising instance, the archive stores the truncated characteristic-function coefficients g_m = 2^{-n} Tr exp(-i m T H), m = 0, ..., 15. These coefficients are used to extract the local displacement φ₀ from the zero of the imaginary part of the response function C(φ) = 2 sum_{m=0}^{15} g_m (-1)^m exp(i m φ) - 1. The quantity plotted in the paper is the disorder-averaged second moment <φ₀²> and the scaled combination n⁶<φ₀²>. The Monte Carlo average is over independent disorder realizations only. For each realization, the trace over spin configurations is evaluated deterministically. The data cover even system sizes n = 18, 20, 22, ..., 36. For the largest systems, the computation splits the spins into two equal halves, performs GPU block contractions, and uses the zero-field spin-flip symmetry H(s)=H(-s) to reduce the sum by a factor of two. Archive contents - scripts/01_generate_phi0_coefficients.py Generates the characteristic-function coefficient files g_m for the random Ising ensemble. - scripts/02_analyze_phi0_scaling.py Computes φ₀, bootstrap confidence intervals, the finite-n covariance-sum comparison, and the scaling plots. - scripts/03_make_gaussian_amplification.py Generates the Gaussian amplification figure used as Fig. 1 in the paper. - data/phi0_coefficients/ Directory for the NumPy .npz files containing the characteristic-function coefficients. The production files have names of the form Nq_<n>_K_<K>.npz. The .npz files are saved without pickle objects. They can be read with standard NumPy using np.load. Typical usage To regenerate the Gaussian amplification figure: python scripts/03_make_gaussian_amplification.py --output-dir output/fig1_gaussian To analyze the φ₀ scaling data: python scripts/02_analyze_phi0_scaling.py \ --data-dir data/phi0_coefficients \ --output-dir output/phi0_scaling To run a short test calculation of the characteristic-function coefficients: python scripts/01_generate_phi0_coefficients.py \ --smoke-test \ --output-dir output/smoke_test_coefficients To regenerate the full production dataset on a CUDA-capable GPU: python scripts/01_generate_phi0_coefficients.py \ --production \ --output-dir data/phi0_coefficients The production calculations were performed using CuPy on an NVIDIA GPU. The analysis and plotting scripts use NumPy, pandas, and Matplotlib.
Overview of data provided in support of Towards near-term quantum simulation of materials Contents of this folder: `analyse_materials_results.py`: script used to generate the summary tables and figures presented in the manuscript. `towards_quantum_simulation_data`: raw data used and produced when studying various 3D materials. `towards_quantum_simulation_analysis`: tables (in `.tex` format) and figures (as PDFs) presented in the manuscript. The contents of `towards_quantum_simulation_analysis` were generated by `analyse_materials_results.py`, i.e. the user need not run the script to produce the output files. Users can generate these analyses directly by running ```python analyse_materials_results.py```, though note the following packages will first need to be installed: `pandas >= 1.2.3` `numpy >= 1.23` `seaborn >= 0.11.1` `lfig >= 0.1.3` `matplotlib > 3.7.0` Included data Within `towards_quantum_simulation_data`, there are subfolders for each of the materials described in the manuscript, i.e. `SrVO3`, `GaAs`, `H3S`, `Si`, `Li2CuO2`. Within each material's folder are further subfolders for the `hamiltonian` and `encoding` used to represent the material, as well as subfolders for each of the `algorithms` studied. `hamiltonian`: files which specify the Hamiltonian for the material under study. There are a number of files `interactions.json` Hamiltonian terms in terms of Majorana monomials. `map_majorana_to_mode.json` keys are Majorana indices; values are the mode index to which they are associated. `map_mode_to_group.json` keys are mode indices; values are the group (or site) index to which they are associated. `map_group_to_position.json` keys are group indices; values are the corresponding 3D Cartesian coordinates of the lattice used to represent the material. `stage_data.json` contains key/value pairs of any other fields of interest. `encoding` files which specify the fermionic encoding which is customised for the material under study. `encoding.json` which details the edges of the hybrid compact encoding described in Section VI of the supplementary material. `precompiler.json` contains all the information which permits the encoding construction, including the Hamiltonian terms (`_interactions`) which match those in `hamiltonian/interactions.json`. The same mappings as present in the Hamiltonian data(a.g. `map_group_to_position`). `stage_data.json` contains key/value pairs of any other fields of interest. `algorithms` contains subfolders for each of the algorithms desribed in the manuscript Those explored for circuits depths: `TDSSplitTermsPriorityCircuitDepth` (TDS in the manuscript) `TDSSplitTermsPriorityCircuitDepthNoSwapNetwork` (TDS\*) `VQESplitTerms` (VQE) `VQESplitTermsNoSwapNetwork` (VQE*) each of which contain the files, inside the `circuitry` folder: `circuit_terms.csv`, which lists each individual term, together with their Pauli string and rotation angle, required to construct the corresponding quantum circuit `circuit_layers_to_implement.csv` groups the same terms into layers to achieve parallelism in the circuit. `stage_data.json` contains key/value pairs of any other fields of interest. and those used to compose measurement layers, as outlined in Section VII D of the supplementary material: `MeasurementCommutativity` `MeasurementNaiveQubitwise` `MeasurementNonCrossing` each of which contain the files, inside the `compilation` folder: `layers.csv` lists the terms which may be measured simultaneously to achieve the measurement strategies shown in Table S14. `stage_data.json` contains key/value pairs of any other fields of interest. CSV files In `towards_quantum_simulation_data`, there are unified CSV files containing the results of applying the procedures described in the manuscript to the target materials. `circuit_costs.csv`: results of running the circuit compiler described in the manuscript. `measurements.csv`: results of running the measurement compiler described in the manuscript. These CSVs are used in the analysis script `analyse_materials_results.py` to produce the figures and tables presented in the manuscript.
We perform a comprehensive numerical study of how variations in microscopic coupling strength affect critical behavior in the two-dimensional Ising model. Using extensive Monte Carlo simulations based on the Wolff cluster algorithm, we investigate the clean Ising model on a square lattice for interaction strengths in the range 0.80 ≤ J ≤ 1.20. While the exact solution at J = 1 has long established the model’s critical properties, a systematic numerical assessment of universality under continuous coupling rescaling has not been performed. Here, we address this gap by analyzing systems of linear size L = 20 − 500, allowing for high-precision finite-size scaling of thermodynamic observables. For each coupling, the critical temperature T_C(J) is determined via finite-size extrapolation of the susceptibility maxima, yielding results in quantitative agreement with Onsager’s exact prediction. At the extrapolated critical points, we extract the critical exponents ν, β, γ, and α through detailed scaling analyses. These exponents remain consistent with the exact Ising benchmarks across the full range of interaction strengths, confirming that the universal aspects of the phase transition are preserved. Our findings demonstrate that modifying the microscopic coupling strength rescales the critical temperature without altering the asymptotic critical behavior, thereby providing a clear and quantitative confirmation of the robustness of the two-dimensional Ising universality class.
# Sensing with discrete time crystals Data Repository This repository contains experimental data, simulation results, and analysis code for Discrete Time Crystal (DTC) sensing research. The data is organized by figure numbers corresponding to the main manuscript and supplementary materials. ## Repository Structure ``` DTC_sensing_Zenodo_Repo/ │ ├── data/ # All experimental and processed data │ ├── raw/ # Raw experimental data files │ │ ├── fig-1/ # Figure 1 raw data │ │ ├── fig-2/ # Figure 2 raw data (fig-2b, fig-2c) │ │ ├── fig-3/ # Figure 3 raw data (fig-3a, fig-3b, fig-3c) │ │ ├── fig-4/ # Figure 4 raw data │ │ └── fig-S1/ through fig-S18/ # Supplementary figures raw data │ │ │ └── processed/ # Processed and analyzed data │ ├── fig-3/ # Processed data for Figure 3 │ └── fig-S14/ # Processed data for Figure S14 │ ├── src_code/ # Source code for analysis and simulations │ ├── simulations/ # Simulation code │ │ ├── SingleToneDTC/ # Single-tone DTC simulations │ │ ├── TwoToneDTC/ # Two-tone DTC simulations │ │ ├── helper.py # Helper functions │ │ ├── setup_system.py # System setup utilities │ │ └── systems.yaml # System configuration parameters │ │ │ └── utils/ # Utility functions │ ├── plotting_utils.py # Plotting and visualization utilities │ └── simulation_utils.py # Simulation utilities │ └── visual_elements/ # Code and notebooks for figure generation ├── main/ # Main manuscript figures │ ├── fig-1/ # Figure 1 generation code │ ├── fig-2/ # Figure 2 generation code │ ├── fig-3/ # Figure 3 generation code │ └── fig-4/ # Figure 4 generation code │ └── supmat/ # Supplementary material figures └── fig-S1/ through fig-S18/ # Supplementary figure generation code ``` ## Data Description ### Raw Data (`data/raw/`) The raw data directory contains experimental measurements organized by figure number: - **File Formats:** - `.mat` files: MATLAB data files containing experimental measurements from the Proteus P9484M NMR spectrometer - `.csv` files: CSV files containing contour and magnetometer data (fig-S1) - `.hdf5` files: HDF5 files containing simulation results (fig-S13-S16) - `.npy` files: NumPy array files - **Data Organization:** - **Main Figures (fig-1 through fig-4):** Core experimental results - **Supplementary Figures (fig-S1 through fig-S18):** Additional experimental data, simulations, and analysis ### Processed Data (`data/processed/`) Processed data contains analyzed and pre-computed results: - **File Formats:** - `.npy` files: NumPy arrays containing processed experimental data - **Available Processed Data:** - `fig-3/`: Processed data for Figure 3 (fig-3a, fig-3b) - `fig-S14/`: Processed data for Figure S14 (AC phase scans, frequency scans, Vpp scans) ## Source Code ### Simulation Code (`src_code/simulations/`) - **SingleToneDTC/**: Code for single-tone DTC simulations - **TwoToneDTC/**: Code for two-tone DTC simulations - **systems.yaml**: Configuration file defining system parameters (N, rmin, rmax, gamma, theta, tau, etc.) - **helper.py**: Helper functions for simulations - **setup_system.py**: System setup and initialization utilities ### Utility Functions (`src_code/utils/`) - **plotting_utils.py**: Functions for data visualization, including matplotlib configuration and plotting routines - **simulation_utils.py**: Utilities for running and analyzing simulations ## Figure Generation ### Visualization Code (`visual_elements/`) Each figure directory contains: - **Jupyter notebooks** (`.ipynb`): Interactive notebooks for data analysis and figure generation OR - **Python scripts** (`.py`): Standalone scripts for figure generation - **Output files** (`.pdf`, `.svg`): Generated figure files ## Requirements All required Python packages are listed in `requirements.txt`. Key dependencies include: - **NumPy** (2.3.5): Numerical computations - **SciPy** (1.16.3): Scientific computing and data analysis - **Matplotlib** (3.10.7): Plotting and visualization - **h5py** (3.15.1): HDF5 file handling - **Pandas** (2.3.3): Data manipulation - **Jupyter/IPython**: Interactive notebooks - **PyYAML** (6.0.3): Configuration file parsing To install dependencies: ```bash pip install -r requirements.txt ``` ## Data Access ### Reading Raw Data Raw experimental data is stored in MATLAB `.mat` format. To read these files in Python: ```python from scipy.io import loadmat data_dict = loadmat('path/to/file.mat') ``` ## Usage 1. **Install dependencies**: `pip install -r requirements.txt` 2. **Navigate to figure directory**: Each figure has its own directory in `visual_elements/` 3. **Run analysis**: Open the Jupyter notebook (`.ipynb`) or Python script (`.py`) for the desired figure 4. **Data paths**: The code assumes data is in the `data/` directory relative to the repository root ## Notes - Raw data files are named with timestamps (e.g., `2024-06-06-125713_Proteus.mat`) indicating when measurements were taken - Some figures contain subdirectories (e.g., `fig-2b/`, `fig-2c/`) for different panels - The repository structure follows the organization of figures in the associated publication