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cval26/qmcl_swe
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Generating the numerical results included in Chris Vales, David C. Freeman, Joanna Slawinska & Dimitrios Giannakis. Quantum mechanical closure of partial differential equations with symmetries. - Run the "swe_datagen.py" file to generate the true simulation results, choosing the appropriate value for the initial condition parameter and trajectory ID. - (Optional) Run the "swe_param.py" file with the appropriate trajectory ID to generate the simulation results on the coarse grid using the true subgrid fluxes for each trajectory. This is done to verify that the subgrid fluxes have been generated correctly in the previous step. - Run the "swe_preproc_single.py" file with the appropriate trajectory ID to process the true simulation results for each trajectory, generating the corresponding training data. - Run the "swe_autotune_basis.py" file to calibrate the bandwidth parameter for the eigenfunction basis kernel for each individual trajectory, using the appropriate trajectory ID. - Run the "swe_basis_single.py" file to compute the eigenfunction basis corresponding to each trajectory, using the appropriate trajectory ID. - Run the "swe_basis_multi.py" file to combine the individual bases into one basis matrix. - Run the "swe_preproc_multi.py" file to process the true simulation results, generating the training data combining all trajectories. - Run the "swe_offline.py" file to generate the matrices required by the QMCl scheme. - Run the "swe_varbandwidth_cond.py" file to generate the variable bandwidth values used for the bayesian conditioning kernel function. - Run the "swe_autotune_cond.py" file to calibrate the bandwidth parameter for the conditioning kernel function (including the variable bandwidth). - Run the "swe_online.py" file to run the QMCl surrogate model with the appropriate initial condition. - Use the "swe_plots.ipynb" notebook to generate the plots based on the numerical results.
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