From ff0363b9f92162467c4a71381b5986bd45670531 Mon Sep 17 00:00:00 2001 From: lubrik Date: Mon, 20 May 2024 12:04:29 +0200 Subject: [PATCH] test with new dataset --- data/.~lock.final_merge.csv# | 1 + data/final_merge.csv | 279 +++++++-------- ...f_pred-test_lgbm_CA.GS_post_CA.GS_post.csv | 29 ++ ...tdf_pred-test_rf_CA.GS_post_CA.GS_post.csv | 29 ++ ...df_pred-test_xgb_CA.GS_post_CA.GS_post.csv | 29 ++ ...sPredicted_CA.GS_post_lgbm_CA.GS_post_.png | Bin 0 -> 29510 bytes ...sVsPredicted_CA.GS_post_rf_CA.GS_post_.png | Bin 0 -> 32798 bytes ...VsPredicted_CA.GS_post_xgb_CA.GS_post_.png | Bin 0 -> 29154 bytes ...ted_lmplot_CA.GS_post_lgbm_CA.GS_post_.png | Bin 0 -> 31056 bytes ...icted_lmplot_CA.GS_post_rf_CA.GS_post_.png | Bin 0 -> 36676 bytes ...cted_lmplot_CA.GS_post_xgb_CA.GS_post_.png | Bin 0 -> 23336 bytes ...t_lgbm_CA.G_plasm_post_CA.G_plasm_post.csv | 29 ++ ...est_rf_CA.G_plasm_post_CA.G_plasm_post.csv | 29 ++ ...st_xgb_CA.G_plasm_post_CA.G_plasm_post.csv | 29 ++ 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results/predicts/df_pred-test_xgb_Total.N_post_Total.N_post.csv create mode 100644 results/predicts/df_pred-test_xgb_newDF_CA_plasm_post_CA_plasm_post.csv diff --git a/data/.~lock.final_merge.csv# b/data/.~lock.final_merge.csv# new file mode 100644 index 0000000..c52aa27 --- /dev/null +++ b/data/.~lock.final_merge.csv# @@ -0,0 +1 @@ +,die,hoyganelpese,20.05.2024 09:59,file:///home/die/.config/libreoffice/4; \ No newline at end of file diff --git a/data/final_merge.csv b/data/final_merge.csv index b1bf0a3..4ec1057 100644 --- a/data/final_merge.csv +++ b/data/final_merge.csv @@ -1,139 +1,140 @@ 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a/scripts/modelSanoApp.py b/scripts/modelSanoApp.py index 3253e1e..eed6294 100644 --- a/scripts/modelSanoApp.py +++ b/scripts/modelSanoApp.py @@ -5,61 +5,162 @@ Created on Wed May 8 21:27:35 2024 @author: dres2 """ -from main_retrain import evaluateNPlot, RF_Fit -from utils import fullRead -# from fitEnsemble import fitRF -import re +from XGBFfit import XGBfit, LGBMfit +from RFfit import RFfit_lgbm +from sklearn.model_selection import train_test_split +from plotting import plotResiduals, plotTestVsPredicted +from sklearn.experimental import enable_iterative_imputer +from sklearn.impute import IterativeImputer +from xgboost import XGBRegressor import pandas as pd -import sys - -testeo = sys.argv[1] -ejecucion = sys.argv[2] -ejecucionPeque = sys.argv[3] - +import os +import time print(" ----------------- PACKAGES EXPORTING ENDED ----------------- ") -print(" ----------------- READING DATASETS ----------------- ") +print(" ----------------- READING DATASET ----------------- ") -paths = ["plasmFlav_ord.csv", "plasmAnt_ord.csv", "urineFlav_ord.csv", "urineAnt_ord.csv"] -paths = ["../data/" + s for s in paths] +main_df = pd.read_csv(os.path.join("..", "data", "final_merge.csv"), sep =";", decimal= ".") +main_df[['Sex', 'Sweetener']] = main_df[['Sex', 'Sweetener']].astype("category") +anthropometric_features = ["Weight_pre","Weight_post","Delta_Weight", + "Height","BMI_pre","BMI_post","Delta_BMI", + "Fat_pre","Fat_post","Delta_Fat","CVRI_post", + "CVRI_pre" ,"Bpmin_post","Bpmax_post", + "Bpmin_pre", "Bpmax_pre","Frec_post","Frec_pre"] -# execution -df, df_name = fullRead(paths[2], sep = ",", full = True) -df_name = re.sub("../", "", df_name) -df[['Weight', 'BMI']] = df[['Weight', 'BMI']].apply(pd.to_numeric) -RF_Fit(df, df_name, full = True, eval=True, plot = True) +study_features = ["Sex", "Sweetener"] -if testeo == True: +urine_ant_features = ['CA_urine_pre', 'CA.G_urine_pre', 'CA.S_urine_pre', + 'CA.GS_pre', 'Total.CA_urine_pre', 'DHPAA_urine_pre', + 'DHPAA.G_urine_pre', 'DHPAA.GG_urine_pre', 'DHPAA.GS_urine_pre', + 'DHPAA.SS_urine_pre', 'Total.DHPAA_urine_pre', 'TFA.G_urine_pre', + 'TFA.S_urine_pre', 'TFA.di.sulfate.1_pre', 'Total.TFA_urine_pre', + 'TIFA.Sulfate.1_pre', 'VA_urine_pre', 'VA.GG_urine_pre', + 'VA.GS_urine_pre', 'VA.SS_urine_pre', 'Total.VA_urine_pre', + 'CA_urine_post','CA.G_urine_post', 'CA.S_urine_post', 'CA.GS_post', + 'Total.CA_urine_post', 'DHPAA_urine_post', 'DHPAA.G_urine_post', + 'DHPAA.GG_urine_post', 'DHPAA.GS_urine_post', 'DHPAA.SS_urine_post', + 'Total.DHPAA_urine_post', 'TFA.G_urine_post', 'TFA.S_urine_post', + 'TFA.di.sulfate.1_post', 'Total.TFA_urine_post', + 'TIFA.Sulfate.1_post','VA_urine_post', 'VA.GG_urine_post', + 'VA.GS_urine_post','VA.SS_urine_post', 'Total.VA_urine_post'] - print(" ----------------- TEST MODE INCIATING ----------------- ") +urine_flav_features = ['E_urine_pre', 'EG.1_pre', 'E.S_urine_pre', 'Total.E_urine_pre', + 'HE_pre', 'HE.G_urine_pre', 'HE.GG_pre', 'Total.HE_pre', 'N_pre', + 'N.G_urine_pre', 'N.GG_pre', 'N.S_pre', 'Total.N_pre', 'E_urine_post', 'EG.1_post', + 'E.S_urine_post', 'Total.E_urine_post', 'HE_post', 'HE.G_urine_post', + 'HE.GG_post', 'Total.HE_post', 'N_post', 'N.G_urine_post', 'N.GG_post', + 'N.S_post', 'Total.N_post'] +plasm_flav_features = ['E_plasm_pre', 'E.S_plasm_pre', + 'Total.E_plasm_pre', 'HE.G_plasm_pre', 'N.G_plasm_pre', 'E_plasm_post', 'E.S_plasm_post', + 'Total.E_plasm_post', 'HE.G_plasm_post', 'N.G_plasm_post'] +plasm_ant_features = ['CA_plasm_pre', 'CA.G_plasm_pre', 'CA.S_plasm_pre', 'Total.CA_plasm_pre', + 'DHPAA_plasm_pre', 'DHPAA.G_plasm_pre', 'DHPAA.GG_plasm_pre', + 'DHPAA.GS_plasm_pre', 'DHPAA.SS_plasm_pre', 'Total.DHPAA_plasm_pre', + 'TFA.G_plasm_pre', 'TFA.S_plasm_pre', 'Total.TFA_plasm_pre', + 'VA_plasm_pre', 'VA.GG_plasm_pre', 'VA.S_pre', 'VA.GS_plasm_pre', + 'VA.SS_plasm_pre', 'Total.VA_plasm_pre', 'CA_plasm_post', 'CA.G_plasm_post', + 'CA.S_plasm_post', 'Total.CA_plasm_post', 'DHPAA_plasm_post', + 'DHPAA.G_plasm_post', 'DHPAA.GG_plasm_post', 'DHPAA.GS_plasm_post', + 'DHPAA.SS_plasm_post', 'Total.DHPAA_plasm_post', 'TFA.G_plasm_post', + 'TFA.S_plasm_post', 'Total.TFA_plasm_post', 'VA_plasm_post', + 'VA.GG_plasm_post', 'VA.S_post', 'VA.GS_plasm_post', 'VA.SS_plasm_post', + 'Total.VA_plasm_post'] - df, df_name = fullRead(paths[1], sep = ",", full = True) - df_name = re.sub("../", "", df_name) - df[['Weight', 'BMI']] = df[['Weight', 'BMI']].apply(pd.to_numeric) +def preproc (df, features, targets): - #y_test = pd.read_csv("/home/die/Documents/repositories/mSApp/doc/scripts/X_metTest_RF_Met_lightTrainplasmFlav.csv") - #X_test = pd.read_csv("/home/die/Documents/repositories/mSApp/doc/scripts/y_metTest_RF_Met_lightTrainplasmFlav.csv") + iimp = IterativeImputer( + estimator = XGBRegressor(), + random_state = 42, + verbose = 0, + ) - residPlot = False - evaluateNPlot(modelPath = "../models/RF_Full_lightTrainplasmAnt.pkl", df = df, df_name = df_name, pipeline = False) + iimp.set_output(transform="pandas") + targets_imp= iimp.fit_transform(pd.DataFrame(df[targets])) -else: - print(" ----------------- NO TESTING MODE ----------------- ") - -if ejecucion == True: + X_train, X_test, y_train, y_test = train_test_split( + df[features], + targets_imp, + train_size = 0.8, + random_state = 42, + shuffle = True + ) + + X_train, X_val, y_train, y_val = train_test_split( + X_train, + y_train, + train_size = 0.8, + random_state = 42, + shuffle = True + ) + + print("Observaciones en train:", X_train.shape) + print("Observaciones en validation:", X_val.shape) + print("Observaciones en test:", X_test.shape) - print(" ----------------- EXECUTION MODE INCIATING ----------------- ") - - for path in paths: - df, df_name = fullRead(path, sep = ",", full = True) - df_name = re.sub("../", "", df_name) - df[['Weight', 'BMI']] = df[['Weight', 'BMI']].apply(pd.to_numeric) - - RF_Fit(df, df_name, full = True, eval=True, plot = True) - RF_Fit(df, df_name, full = False, eval=True, plot = True) -else: - print(" ----------------- NO EXECUTION MODE ----------------- ") + return X_train, X_test, X_val, y_train, y_test, y_val +def model_training(X_train, X_test, X_val, y_train, y_test, y_val): + print(" ----------------- STARTING XGB ----------------- ") + start = time.time() + + xgb_model = XGBfit(X_train, X_test, X_val, y_train, y_test, y_val) + rf_model = RFfit_lgbm(X_train, X_test, X_val, y_train, y_test, y_val) + lgbm_model = LGBMfit(X_train, X_test, X_val, y_train, y_test, y_val) + + end = time.time() + + tiempo_entrenamiento_full = end - start + + print(f"Tiempo optimización + entrenamiento full: {tiempo_entrenamiento_full:.2f} segundos") + return(xgb_model, rf_model, lgbm_model) + +def post_model(model, X_test, y_test, targets, modelname, savePath): + + #modelname = "xgb_newDF_"+targets + + # saving predicted + print(" ----------------- PREDICTING AND JOINING PRED + TEST ----------------- ") + + # make predict + # y_pred_scaled = xgb_XGB.predict(X_test) + # y_pred = scaler.inverse_transform(y_pred_scaled) + # y_test = pd.DataFrame([i for i in scaler.inverse_transform(y_test)], index=y_test.index, columns= y_test.columns) + + y_test.name = targets+"_test" + y_pred = pd.Series(model.predict(X_test), index = y_test.index, name = targets+"_pred") + df_predTest = pd.concat([y_pred, y_test], axis = 1) + df_predTest.to_csv(savePath+"df_pred-test_"+modelname+"_"+targets+".csv", sep = ";") + + #df_predTest = pd.DataFrame([i for i in y_pred], index = y_test.index, columns= y_test.columns).add_suffix("_pred").join(y_test.add_suffix('_test')) + #df_predTest.reindex(sorted(df_predTest.columns), axis=1).to_csv("../results/predicts/df_pred-test_"+modelname+".csv", sep = ";") + + # plotting + #metabs = y_test.columns.drop(list(y_test.filter(regex='Sex|Sweetener'))) + + plotTestVsPredicted (metab=targets, df_predTest=df_predTest, modelname=modelname, savePath=savePath) + plotResiduals(metab=targets, df_predTest=df_predTest, modelname=modelname, savePath=savePath) + +post_targets = [i for i in main_df.columns if "_post" in i] + +for targets in post_targets: + + features = main_df.drop(targets, axis = 1).columns + + directory = os.path.join("..","results", "plots", "newPlots", targets) + # ["Sex", "Sweetener", "Delta_BMI", "Delta_Fat",'CA_plasm_pre', 'CA.G_plasm_pre', 'CA.S_plasm_pre','Total.CA_plasm_pre'] + # main_df["CA_plasm_post"] = main_df["CA_plasm_post"].fillna(0) + if not os.path.exists(directory): + os.mkdir(directory) + else: + os.mkdir(directory+"v1") + + X_train, X_test, X_val, y_train, y_test, y_val = preproc(df=main_df, targets=targets, features=features) + + xgb_model, rf_model, lgbm_model = model_training(X_train, X_test, X_val, y_train, y_test, y_val) + + post_model(xgb_model, X_test=X_test, y_test=y_test, targets = targets, modelname = "xgb_"+targets, savePath=directory) + post_model(rf_model, X_test=X_test, y_test=y_test, targets = targets, modelname ="rf_"+targets, savePath=directory) + post_model(lgbm_model, X_test=X_test, y_test=y_test, targets = targets, modelname ="lgbm_"+targets, savePath=directory) \ No newline at end of file diff --git a/scripts/plotting.py b/scripts/plotting.py index 00f48a4..f4a070c 100644 --- a/scripts/plotting.py +++ b/scripts/plotting.py @@ -3,7 +3,7 @@ import matplotlib.pyplot as plt import seaborn as sns -def plotTestVsPredicted (df_predTest, metab, modelname, df_name): +def plotTestVsPredicted (df_predTest, metab, modelname, savePath): print(" ----------------- STARTING PLOTTING ----------------- ") #for metab in metabs: @@ -12,18 +12,18 @@ def plotTestVsPredicted (df_predTest, metab, modelname, df_name): print(" ----------------- PREDICTED VS TEST " + metab + " ----------------- ") plt.figure() - sns.lmplot(data = df_predTest, x=metab+"_pred", y=metab+"_test", height=7, aspect = 1) + sns.lmplot(data = df_predTest, x=metab+"_pred", y=metab, height=7, aspect = 1) plt.title("TEST VS PREDICTED lmplot " + metab + " " + modelname) - plt.savefig("../results/plots/testVsPredicted_lmplot_"+ metab+"_"+modelname+"_"+df_name+".png") + plt.savefig(savePath+"testVsPredicted_lmplot_"+ metab+"_"+modelname+"_"".png") plt.close("all") -def plotResiduals (df_predTest, metab, modelname, df_name): +def plotResiduals (df_predTest, metab, modelname, savePath): #for metab in metabs: print(" ----------------- PREDICTED VS RESIDUALS " + metab + " ----------------- ") y_pred_metab = df_predTest[metab+"_pred"] - residuals = df_predTest[metab+"_test"]-df_predTest[metab+"_pred"] + residuals = df_predTest[metab]-df_predTest[metab+"_pred"] df_all = pd.concat([y_pred_metab, residuals], axis=1) df_all.columns = ["Predicted", "Residuals"] @@ -31,5 +31,5 @@ def plotResiduals (df_predTest, metab, modelname, df_name): sns.scatterplot(data = df_all, x="Predicted", y="Residuals") plt.axhline(y=0) plt.title("RESIDUALS VS PREDICTED " + metab + " " + modelname) - plt.savefig("../results/plots/residualsVsPredicted_"+ metab+"_"+modelname+"_"+df_name+".png") + plt.savefig(savePath+"residualsVsPredicted_"+ metab+"_"+modelname+"_"+".png") plt.close("all") diff --git a/scripts/pruebas.ipynb b/scripts/pruebas.ipynb index 676dcd9..fa0bda4 100644 --- a/scripts/pruebas.ipynb +++ b/scripts/pruebas.ipynb @@ -2,12 +2,13 @@ "cells": [ { "cell_type": "code", - "execution_count": 1, + "execution_count": 5, "id": "1078ac79", "metadata": {}, "outputs": [], "source": [ "import pandas as pd\n", + "import numpy as np\n", "import os\n", "import re\n", "pd.options.display.max_seq_items = 4000" @@ -15,21 +16,10 @@ }, { "cell_type": "code", - "execution_count": 10, + "execution_count": 2, "id": "3e24cea7", "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "(138, 149)" - ] - }, - "execution_count": 10, - "metadata": {}, - "output_type": "execute_result" - } - ], + "outputs": [], "source": [ "sep = \",\"\n", "\n", @@ -163,234 +153,128 @@ "df2 = pd.concat([df, pd.DataFrame.from_dict(prueba, orient='columns').set_index(df.index)], axis = 1)\n", "df2.iloc[0] = df2.iloc[0].fillna(df.iloc[138])\n", "df2.drop(138, axis = 0, inplace = True)\n", - "df2.to_csv(\"../data/final_merge.csv\", sep = \";\", decimal = \".\", index = False)" + "\n", + "anthropometric_features = [\"Weight_pre\",\"Weight_post\",\"Delta_Weight\",\n", + " \"Height\",\"BMI_pre\",\"BMI_post\",\"Delta_BMI\",\t\n", + " \"Fat_pre\",\"Fat_post\",\"Delta_Fat\",\"CVRI_post\",\t\n", + " \"CVRI_pre\",\"Bpmin_post\",\"Bpmax_post\",\n", + " \"Bpmin_pre\",\t\"Bpmax_pre\",\"Frec_post\",\"Frec_pre\"]\n", + "\n", + "tofill = [\"Fat_pre\", \"Delta_Fat\",\"CVRI_post\"]\n", + "\n", + "df.loc[78, tofill] = np.nan\n", + "df.loc[[104,121],[\"Bpmin_post\",\"Bpmax_post\",\"Frec_post\"]] = np.nan\n", + "df.loc[[3,10,12,15,51,63,64,65,69,93,102,109, 111, 113],\"Frec_pre\"] = np.nan\n", + "df.loc[102,]\n", + "\n", + "df[anthropometric_features] = df[anthropometric_features].apply(pd.to_numeric)\n", + "df[anthropometric_features].dtypes\n", + "df.to_csv(\"../data/final_merge.csv\", sep = \";\", decimal = \".\", index = False)" ] }, { "cell_type": "code", - "execution_count": 11, + "execution_count": 77, "id": "b062aab9", "metadata": {}, + "outputs": [], + "source": [ + "df_path = \"/home/die/Documents/repositories/modelsanoapp/data/final_merge.csv\"\n", + "df = pd.read_csv(df_path, sep = \";\", decimal = \".\")\n" + ] + }, + { + "cell_type": "code", + "execution_count": 78, + "id": "141cc6dc", + "metadata": {}, "outputs": [ { "data": { - "text/html": [ - "

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