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| input_mapping: | |
| "%C": | |
| label: "Enter the proportion of C" | |
| comp_type: "Number" | |
| precision: 5 | |
| example: [0.2, 0.6, 1.15] | |
| "%Co": | |
| label: "Enter the proportion of Co" | |
| comp_type: "Number" | |
| precision: 5 | |
| example: [5, 5, 10] | |
| "%Cr": | |
| label: "Enter the proportion of Cr" | |
| comp_type: "Number" | |
| precision: 5 | |
| example: [3.9, 3.9, 3.9] | |
| "%V": | |
| label: "Enter the proportion of V" | |
| comp_type: "Number" | |
| precision: 5 | |
| example: [2.1, 2.1, 2.1] | |
| "%Mo": | |
| label: "Enter the proportion of Mo" | |
| comp_type: "Number" | |
| precision: 5 | |
| example: [5, 5, 5] | |
| "%W": | |
| label: "Enter the proportion of W" | |
| comp_type: "Number" | |
| precision: 5 | |
| example: [1.2, 0.001, 1.2] | |
| "Temperature_C": | |
| label: "Enter the heat treatment temperature" | |
| comp_type: "Number" | |
| precision: 5 | |
| example: [560, 550, 525] | |
| input_order: | |
| - keys: ["%C", "%Co", "%Cr", "%V", "%Mo", "%W"] | |
| markdown: "Your alloy formula" | |
| - keys: ["Temperature_C"] | |
| markdown: "Your heat treatment conditions" | |
| output_mapping: | |
| # "M6C": | |
| # label: "M6C" | |
| # comp_type: "Number" | |
| # precision: 2 | |
| # "M23C6": | |
| # label: "M23C6" | |
| # comp_type: "Number" | |
| # precision: 2 | |
| # "FCCA1#2": | |
| # label: "FCCA1#2" | |
| # comp_type: "Number" | |
| # precision: 2 | |
| # "M2C": | |
| # label: "M2C" | |
| # comp_type: "Number" | |
| # precision: 2 | |
| # "MC - SHP": | |
| # label: "MC - SHP" | |
| # comp_type: "Number" | |
| # precision: 2 | |
| # "MC ETA": | |
| # label: "MC ETA" | |
| # comp_type: "Number" | |
| # precision: 2 | |
| # "%C matrice": | |
| # label: "Element C in the matrix" | |
| # comp_type: "Number" | |
| # precision: 2 | |
| # "%Co matrice": | |
| # label: "Element Co in the matrix" | |
| # comp_type: "Number" | |
| # precision: 2 | |
| # "%Cr matrice": | |
| # label: "Element Cr in the matrix" | |
| # comp_type: "Number" | |
| # precision: 2 | |
| # "%V matrice": | |
| # label: "Element V in the matrix" | |
| # comp_type: "Number" | |
| # precision: 2 | |
| # "%Mo matrice": | |
| # label: "Element Mo in the matrix" | |
| # comp_type: "Number" | |
| # precision: 2 | |
| # "%W matrice": | |
| # label: "Element W in the matrix" | |
| # comp_type: "Number" | |
| # precision: 2 | |
| # Hv: | |
| # label: "Estimated alloy Hardness (HV)" | |
| # comp_type: "Number" | |
| # precision: 0 | |
| # # is_target_column: True | |
| # Hv_uncertainty: | |
| # label: "Confidence interval for hardness prediction (HV)" | |
| # comp_type: "Number" | |
| # precision: 0 | |
| "M6C": | |
| label: "M6C" | |
| comp_type: "Text" | |
| "M23C6": | |
| label: "M23C6" | |
| comp_type: "Text" | |
| "FCCA1#2": | |
| label: "FCCA1#2" | |
| comp_type: "Text" | |
| "M2C": | |
| label: "M2C" | |
| comp_type: "Text" | |
| "MC - SHP": | |
| label: "MC - SHP" | |
| comp_type: "Text" | |
| "MC ETA": | |
| label: "MC ETA" | |
| comp_type: "Text" | |
| "%C matrice": | |
| label: "Element C in the matrix" | |
| comp_type: "Text" | |
| "%Co matrice": | |
| label: "Element Co in the matrix" | |
| comp_type: "Text" | |
| "%Cr matrice": | |
| label: "Element Cr in the matrix" | |
| comp_type: "Text" | |
| "%V matrice": | |
| label: "Element V in the matrix" | |
| comp_type: "Text" | |
| "%Mo matrice": | |
| label: "Element Mo in the matrix" | |
| comp_type: "Text" | |
| "%W matrice": | |
| label: "Element W in the matrix" | |
| comp_type: "Text" | |
| Hv: | |
| label: "Estimated alloy Hardness (HV)" | |
| comp_type: "Text" | |
| Hv_uncertainty: | |
| label: "Confidence interval for hardness prediction (HV)" | |
| comp_type: "Text" | |
| # Output order must exclude the interpretation | |
| output_order: | |
| - keys: ["%C matrice", "%Co matrice", "%Cr matrice", "%V matrice", "%Mo matrice", "%W matrice"] | |
| markdown: "Your estimated matrix proportions" | |
| - keys: ["M6C", "M23C6", "FCCA1#2", "M2C", "MC - SHP", "MC ETA"] | |
| markdown: "Your estimated phase proportions" | |
| - keys: ["Hv", "Hv_uncertainty"] | |
| markdown: "Your estimated alloy hardness" | |
| interface_parameters: | |
| additional_markdown: | |
| page_title: "Alloy's properties prediction" | |
| main_title: "Predict the hardness (Hv) of your alloy" | |
| details: "This AI model provides the estimation of the hardness (Hv) of your alloy" | |
| interpretation: "Results interpretation" # Necessary only for prediction (useless for inverse design) | |
| size: | |
| input_column_scale: 0.2 | |
| input_column_min_width: 50 | |
| inference: | |
| inverse_design: False | |
| show_interpretation: True | |
| preprocessing: "alloy_preprocessing" | |
| model_path: "" | |
| model_path_constraints: "" | |
| multiple_model_path: | |
| "%C matrice": "./physics_models_all/%C matrice_lr0-001/model_%C matrice.h5" | |
| "%Co matrice": "./physics_models_all/%Co matrice_lr0-001/model_%Co matrice.h5" | |
| "%Cr matrice": "./physics_models_all/%Cr matrice_lr0-001/model_%Cr matrice.h5" | |
| "%V matrice": "./physics_models_all/%V matrice_lr0-001/model_%V matrice.h5" | |
| "%Mo matrice": "./physics_models_all/%Mo matrice_lr0-001/model_%Mo matrice.h5" | |
| "%W matrice": "./physics_models_all/%W matrice_lr0-001/model_%W matrice.h5" | |
| "M6C": "./physics_models_all/M6C_lr0-001/model_M6C.h5" | |
| "M23C6": "./physics_models_all/M23C6_lr0-001/model_M23C6.h5" | |
| "FCCA1#2": "./physics_models_all/FCCA1#2_lr0-001/model_FCCA1#2.h5" | |
| "M2C": "./physics_models_all/M2C_lr0-001/model_M2C.h5" | |
| # "MC - SHP": "./physics_models/MC - SHP_lr0-001/model_MC - SHP.h5" | |
| "MC - SHP": "./physics_models_all/MC - SHP_rf/model_MC - SHP.pkl" | |
| # "MC ETA": "./physics_models/MC ETA_lr0-001/model_MC ETA.h5" | |
| "MC ETA": "./physics_models_all/MC ETA_rf/model_MC ETA.pkl" | |
| encoder_path: "" | |
| scaler_inputs_path: "./physics_models_all/%C matrice_lr0-001/minmax_scaler_inputs.pickle" | |
| scaler_targets_path: "" | |
| multiple_scaler_targets_path: | |
| "%C matrice": "./physics_models_all/%C matrice_lr0-001/minmax_scaler_targets.pickle" | |
| "%Co matrice": "./physics_models_all/%Co matrice_lr0-001/minmax_scaler_targets.pickle" | |
| "%Cr matrice": "./physics_models_all/%Cr matrice_lr0-001/minmax_scaler_targets.pickle" | |
| "%V matrice": "./physics_models_all/%V matrice_lr0-001/minmax_scaler_targets.pickle" | |
| "%Mo matrice": "./physics_models_all/%Mo matrice_lr0-001/minmax_scaler_targets.pickle" | |
| "%W matrice": "./physics_models_all/%W matrice_lr0-001/minmax_scaler_targets.pickle" | |
| "M6C": "./physics_models_all/M6C_lr0-001/minmax_scaler_targets.pickle" | |
| "M23C6": "./physics_models_all/M23C6_lr0-001/minmax_scaler_targets.pickle" | |
| "FCCA1#2": "./physics_models_all/FCCA1#2_lr0-001/minmax_scaler_targets.pickle" | |
| "M2C": "./physics_models_all/M2C_lr0-001/minmax_scaler_targets.pickle" | |
| # "MC - SHP": "./physics_models/MC - SHP_lr0-001/minmax_scaler_targets.pickle" | |
| "MC - SHP": "./physics_models_all/MC - SHP_rf/minmax_scaler_targets.pickle" | |
| # "MC ETA": "./physics_models/MC ETA_lr0-001/minmax_scaler_targets.pickle" | |
| "MC ETA": "./physics_models_all/MC ETA_rf/minmax_scaler_targets.pickle" | |
| explainer_path: "" | |
| multiple_explainer_path: {} | |
| # "%C matrice": "./physics_models/%C matrice_lr0-001/explainer.bz2" | |
| # "%Co matrice": "./physics_models/%Co matrice_lr0-001/explainer.bz2" | |
| # "%Cr matrice": "./physics_models/%Cr matrice_lr0-001/explainer.bz2" | |
| # "%V matrice": "./physics_models/%V matrice_lr0-001/explainer.bz2" | |
| # "%Mo matrice": "./physics_models/%Mo matrice_lr0-001/explainer.bz2" | |
| # "%W matrice": "./physics_models/%W matrice_lr0-001/explainer.bz2" | |
| # "M6C": "./physics_models/M6C_lr0-001/explainer.bz2" | |
| # "M23C6": "./physics_models/M23C6_lr0-001/explainer.bz2" | |
| # "FCCA1#2": "./physics_models/FCCA1#2_lr0-001/explainer.bz2" | |
| # "M2C": "./physics_models/M2C_lr0-001/explainer.bz2" | |
| # "MC - SHP": "./physics_models/MC - SHP_lr0-001/explainer.bz2" | |
| # "MC ETA": "./physics_models/MC ETA_lr0-001/explainer.bz2" | |
| num_iterations: 0 | |
| final_prediction: | |
| target_cols: ["Hv"] | |
| # model_path: "./physics_models/Hv_lr0-001/model_Hv.h5" | |
| # model_path: "./m_models/hardness_physics2/ensemble_model.pkl" | |
| model_path: "./main_models/new_100_hardness_physics/ensemble_model.pkl" | |
| # model_path: "./m_models/hardness_physics3/ensemble_model.pkl" | |
| multiple_model_path: False | |
| encoder_path: "" | |
| scaler_inputs_path: "./main_models/new_100_hardness_physics/seed0/minmax_scaler_inputs.pickle" | |
| scaler_targets_path: "./main_models/new_100_hardness_physics/seed0/minmax_scaler_targets.pickle" | |
| # explainer_path: "./physics_models/Hv_lr0-001/explainer.bz2" | |
| explainer_path: "./main_models/new_100_hardness_physics/explainer.bz2" | |
| uncertainty_prediction: True | |
| # model_path: "./test_models3/" | |
| # model_name: "model_hardness.h5" | |
| columns_to_mask: ["density", "young_modulus", "valence_electron_concentration", "configuration_entropy", "electronegativity"] | |
| domain_space: | |
| uncertainty_space_dict: | |
| "%C": | |
| "min": 0 | |
| "max": 2 | |
| "step": 0.1 | |
| "step_display": 0.1 | |
| "value": 0.5 | |
| "%Co": | |
| "min": 2 | |
| "max": 15 | |
| # "max": 3 | |
| "step": 1 | |
| "step_display": 0.1 | |
| "value": 10 | |
| # "value": 2 | |
| "%Cr": | |
| "min": 1.9 | |
| "max": 5.5 | |
| # "max": 2.4 | |
| "step": 0.5 | |
| "step_display": 0.1 | |
| "value": 3.9 | |
| # "value": 1.9 | |
| "%V": | |
| "min": 1.1 | |
| "max": 3.5 | |
| # "max": 1.6 | |
| "step": 0.5 | |
| "step_display": 0.1 | |
| "value": 2.1 | |
| # "value": 1.1 | |
| "%Mo": | |
| "min": 3 | |
| "max": 7 | |
| "step": 1 | |
| "step_display": 0.1 | |
| "value": 5 | |
| "%W": | |
| "min": 0 | |
| "max": 4 | |
| "step": 0.5 | |
| "step_display": 0.1 | |
| "value": 3 | |
| explored_space_dict: | |
| "%C": | |
| min: 0.15 | |
| max: 1.25 | |
| "%Co": | |
| min: 5 | |
| max: 15 | |
| "%Cr": | |
| min: 3.9 | |
| max: 3.9 | |
| "%V": | |
| min: 2.1 | |
| max: 2.1 | |
| "%Mo": | |
| min: 5 | |
| max: 5 | |
| "%W": | |
| min: 0.001 | |
| max: 3.1 | |
| additional_trace_name: "Prediction input point" | |
| design_space_path: "./df_uncertainty_space_vl2_scaled.csv" | |
| webapp: | |
| server_port: 7863 |