KJ modifications and additions to separable hybrid models reaction engineering case study. Please run all notebooks in order presented below. Note that indices i and j represent case study numbers (i = 1,...,10) and experiment numbers (j = 1,...,19), respectively.
reaction_genExpt_v3_kj.ipynb
- files:
- reaction_models.py
- lhs_20.csv
- sub-directories & files (if running with EE data, otherwise these files are created for a new user):
- training_data_small_noise_full_physics_2/
- A_true.csv
- E_true.csv
- rxn_exp_{j}.csv
- rxn_exp_{j}_nonoise.csv
- full_physics_kinetics/
- training_data_small_noise_full_physics_2/
- file: fig-rxn_lhs.png
- files in sub-directory:
- full_physics_kinetics/
- fig-exp_{j}.png
- full_physics_kinetics/
sp_fitted_params.ipynb
- files:
- reaction_models.py
- experiment_list.csv
- sub-directories & files:
- regressed_params_sp/
- fitted_parameters_simple_physics_{i}.csv
- training_data_small_noise_full_physics_2/
- A_true.csv
- E_true.csv
- rxn_exp_{j}.csv
- rxn_exp_{j}_nonoise.csv
- regressed_params_sp/
- sub-directories:
- simple_physics_plots/
- case_{i}/
- simple_physics_plots/
- files:
- in simple_physics_plots/case_{i}/
- case_i_exp_{j}.png
- A1_vs_case.png
- A2_vs_case.png
- E1_vs_case.png
- E2_vs_case.png
- in simple_physics_plots/case_{i}/
plateau_analysis.ipynb
- files:
- reaction_models.py
- plateau_analysis_fxns.py
- fitted_parameters_simple_physics_master.csv
- sub-directories:
- plateau_analysis_figs/
- sp_fp_obj_plots/
- case_{i}/
- sp_fp_plots/
- case_{i}/
- sp_fp_obj_plots/
- plateau_analysis_figs/
- figures in:
- plateau_analysis_figs/
- sp_fp_obj_plots/
- case_{i}/
- fig_300_case_{i}.png
- fig_350_case_{i}.png
- fig_400_case_{i}.png
- fig_450_case_{i}.png
- fig_500_case_{i}.png
- case_{i}/
- sp_fp_plots/
- case_{i}/
- fig_300_case_{i}.png
- fig_350_case_{i}.png
- fig_400_case_{i}.png
- fig_450_case_{i}.png
- fig_500_case_{i}.png
- case_{i}/
- sp_fp_obj_plots/
- obj_vs_t_all_T_case_no_{i}_FP.png
- obj_vs_t_all_T_case_no_{i}_SP.png
- plateau_analysis_figs/
fix_t_vary_ca0_heat_maps.ipynb
- files:
- reaction_models.py
- plateau_analysis_fxns.py
- fitted_parameters_simple_physics_master.csv
- directories and files:
- training_data_small_noise_full_physics_2/
- A_true.csv
- E_true.csv
- rxn_exp_{j}.csv
- rxn_exp_{j}_nonoise.csv
- concentration_temp_maps/
- case_{i}/
- obj_fp/
- case_{i}/
- training_data_small_noise_full_physics_2/
- figures in concentration_temp_maps/
- case_{i}/
- CA_fig_0.2_case_{i}.png
- CA_fig_0.4_case_{i}.png
- CA_fig_0.6_case_{i}.png
- CA_fig_0.8_case_{i}.png
- CA_fig_1.0_case_{i}.png
- CB_fig_0.2_case_{i}.png
- CB_fig_0.4_case_{i}.png
- CB_fig_0.6_case_{i}.png
- CB_fig_0.8_case_{i}.png
- CB_fig_1.0_case_{i}.png
- CC_fig_0.2_case_{i}.png
- CC_fig_0.4_case_{i}.png
- CC_fig_0.6_case_{i}.png
- CC_fig_0.8_case_{i}.png
- CC_fig_1.0_case_{i}.png
- obj_fp/
- obj_fig_0.2_case_{i}.png
- obj_fig_0.4_case_{i}.png
- obj_fig_0.6_case_{i}.png
- obj_fig_0.8_case_{i}.png
- obj_fig_1.0_case_{i}.png
- case_{i}/