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.
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.
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
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.
This repository contains the numerical data and computational codes supporting the results presented in the manuscript: "Engineered non-Gaussian Coherence as a Thermodynamic Resource for Quantum Batteries". The archive (data_QB.zip) includes all datasets, Jupyter notebooks, and figure files required to reproduce the results reported in both the main text and the Supplemental Material. Each figure is organised in a separate directory containing the corresponding data (.txt), code (.ipynb), and generated plots (.png/.pdf). The provided materials are sufficient to reproduce all figures and results without restriction. Detailed instructions and directory structure are described in the accompanying README.txt file. This dataset is made openly available to ensure transparency and reproducibility of the reported results.
This repository provides the figure data and numerical simulation codes supplement to the manuscript “Dynamical freezing and enhanced magnetometry in an interacting spin ensemble” (arXiv:2507.22982). Contents:--Main_text_figures--Extended_Data_figures Each folder contains the numerical or experimental data used to generate the corresponding figures in the manuscript. All figures can be reproduced by straightforward plotting of the included .csv files. A short description of each dataset is provided within the file headers. --Exact_diagonalization_code--Discrete_truncated_Wigner_approximation_code These directories contain the codes used in the numerical simulations presented in the paper. Each code package includes a detailed README file explaining the workflow, parameters, and usage.
Python notebooks reproducing the numerical results and figures of the manuscript "Qubit encodings in the p-orbital-valley spectrum for enhanced coherence and tunable two-qubit interaction" by John H. Caporaletti and J. P. Kestner (University of Maryland Baltimore County). The manuscript proposes the pOv qubit, an encoding in the two-level subspace spanned by the lowest p-orbital state in the excited valley and the excited p-orbital in the ground valley of an anisotropic silicon quantum dot, coupled by disorder-induced valley-orbit coupling (VOC). This archive contains three self-contained notebooks: VOC_std_calc.ipynb — evaluates the VOC statistics of Appendix VI A using the discretized effective-mass theory of alloy disorder: the vertical envelope function is obtained from a finite-difference solve of the heterostructure confinement potential, and the standard deviations of the disorder-induced generator coefficients, together with the mean valley splitting and mean VOC magnitude, follow from the lattice sum over independent cells. The correlation matrix of the VOC generators is also reported. fig6_Qeff_hist.ipynb — reproduces Fig. 6. For each of 104 alloy-disorder realizations it finds the pair of dot orientations that switches off the two-qubit coupling Omega_zz while maximizing the effective two-qubit quality factor Q_eff, and histograms the result. fig7_inf_scatter_plot.ipynb — reproduces Fig. 7. It synthesizes the R_ZZ(π/2) entangling gate for each disorder realization and evaluates its infidelity against a Monte-Carlo ensemble of quasistatic two-level-fluctuator dipole configurations, comparing a single-segment analytic pulse with a three-segment composite pulse obtained from a two-stage optimization (L-BFGS-B on the deterministic infidelity with analytic gradients, then SLSQP minimizing total gate time subject to a deterministic-infidelity budget). All notebooks use the device parameters of Table I, run top to bottom with no input files, and require only NumPy, SciPy, and Matplotlib (developed under Python 3.12). All random draws are seeded, so the published figures reproduce exactly.
Data for: Spectroscopic signatures of emergent elementary excitations in a kinetically constrained long-range interacting two-dimensional spin system Function of python scripts in this folder: Fig 2: corr_reduced.py: creates data for correlations in reduced model (V_1=50Omega) and saves it in data_reduced folder. Additionally, gives a plot with the corresponding correlations. corr_exact.py: creates data for correlations in the exact model (for V_1=1Omega and V_1=50Omega) and saves data in data_exact/V_1-1_Omega and data_exact/V_1-50_Omega. Additionally, gives a plot with the corresponding correlations. Fig_2.py: Creates Fig 2. from the data of the reduced (data_reduced) and exact (data_exact) model. Saves figures in 002_Figures (SVG and PDF) Fig 3: exact_spectroscopy.py: creates data for exact model spectroscopy with variable lattice size (maximally 3x3), Omega, Omega_rf. Here, one uses automatically VdW interactions V_2=V_1/8 and V_3=V_1/64. Saves data in same folder, which then has to be placed into the correct data folder data_NxN/exact/ M_E-N.py: creates data for resonant matrix element M_E for different variable lattice sizes (maximally 20x20) and saves data in corresponding folder. Additionally, gives plot of the data. reduced_spectroscopy.py: creates spectrum data for M_E dependent on adjustable lattice size. Saves data in same folder, which then has to be placed into the correct data folder data_NxN/reduced/ Fig_3.py: extracts data from corresponding folders and creates Fig 3, and saves it in 002_Figures (SVG and PDF). This is without the manually added inset in panel (a) of the level spectra. Fig B1: 2-fac_time_resolved.py: creates data of time-resolved spectrum for 2 atoms under facilitation and saves it in data folder. Additionally, gives plot of the data. Fig_B1.py: extracts data from corresponding folder and creates Fig B1, and saves it in 002_Figures (SVG and PDF). Contact: [Tobias Kaltenmark](mailto:tobias.kaltenmark@student.uni-tuebingen.de)