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a/results/customStudy/EriodyctiolFamily/df_pred-test_xgb_E_plasm_post_E_plasm_post.csv b/results/customStudy/EriodyctiolFamily/df_pred-test_xgb_E_plasm_post_E_plasm_post.csv new file mode 100644 index 0000000..c81e302 --- /dev/null +++ b/results/customStudy/EriodyctiolFamily/df_pred-test_xgb_E_plasm_post_E_plasm_post.csv @@ -0,0 +1,29 @@ +;E_plasm_post_pred;E_plasm_post_test +135;0.25174525;0.442525178194046 +66;0.5502246;0.555555555555556 +31;0.21755551;0.222222222222222 +118;0.53284556;0.555555555555556 +42;0.24802712;0.352371484041214 +12;0.33470798;0.333333333333333 +51;0.44620848;0.444444444444444 +68;0.34672463;0.333333333333333 +126;0.22325514;0.222222222222222 +55;0.1301873;0.111111111111111 +112;0.1323103;0.111111111111111 +130;0.545119;0.555555555555556 +80;0.11580347;0.111111111111111 +19;0.316988;0.333333333333333 +86;0.21866891;0.222222222222222 +69;0.5654575;0.555555555555556 +11;0.43726483;0.444444444444444 +27;0.60729355;0.666666666666667 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b/results/multiple_targets/DHPAAFamily/df_pred-test_multiTargetxgb_multiTargets.csv new file mode 100644 index 0000000..eef4544 --- /dev/null +++ b/results/multiple_targets/DHPAAFamily/df_pred-test_multiTargetxgb_multiTargets.csv @@ -0,0 +1,29 @@ +;DHPAA.GG_urine_post;DHPAA.GG_urine_post_pred;DHPAA.GS_urine_post;DHPAA.GS_urine_post_pred;DHPAA.G_urine_post;DHPAA.G_urine_post_pred;DHPAA.SS_urine_post;DHPAA.SS_urine_post_pred;DHPAA_urine_post;DHPAA_urine_post_pred;Total.DHPAA_urine_post;Total.DHPAA_urine_post_pred +135;0.03927683085203171;0.037525743;0.114323259;0.15540665;0.012532501;0.08555574;0.069444444;0.057955638;0.03712406;0.18450455;0.021680915;0.09961013 +66;0.02124183;0.048952926;0.013140604;0.20118462;0.026365055;0.0509045;0.058730159;0.059984475;0.08693609;0.17122869;0.035791534;0.06572867 +31;0.011437908;0.04436348;0.421813403;0.16595323;0.090223609;0.04991653;0.069444444;0.0587268;0.25;0.18374468;0.116489855;0.06476954 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+60;0.02613777294754982;0.046451777;0.011826544;0.16088517;0.209308372;0.05645895;0.120238095;0.062188026;0.057330827;0.20405416;0.21889484;0.072782405 diff --git a/results/multiple_targets/DHPAAFamily/metricsMulti_rf_multiTargets.csv b/results/multiple_targets/DHPAAFamily/metricsMulti_rf_multiTargets.csv new file mode 100644 index 0000000..613c762 --- /dev/null +++ b/results/multiple_targets/DHPAAFamily/metricsMulti_rf_multiTargets.csv @@ -0,0 +1,7 @@ +target;method;r2;mae;mse;mape;ev +['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DHPAA.GG_urine_post', 'DHPAA.GS_urine_post', 'DHPAA.SS_urine_post', 'Total.DHPAA_urine_post'];rf_multiTargets;-0.234403145552323;0.10594668151442939;0.025819299410626433;1.0033331431753736;0.001373900392114602 +['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DHPAA.GG_urine_post', 'DHPAA.GS_urine_post', 'DHPAA.SS_urine_post', 'Total.DHPAA_urine_post'];rf_multiTargets;-0.07336077912337036;0.06706097946443122;0.006420451136916796;2.511416665391669;0.0020337394453685542 +['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DHPAA.GG_urine_post', 'DHPAA.GS_urine_post', 'DHPAA.SS_urine_post', 'Total.DHPAA_urine_post'];rf_multiTargets;-2.505719394183943;0.05124235065917878;0.003523264035095136;3.2870153749709425;-0.0004746234827157636 +['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DHPAA.GG_urine_post', 'DHPAA.GS_urine_post', 'DHPAA.SS_urine_post', 'Total.DHPAA_urine_post'];rf_multiTargets;-0.10474234804840221;0.07212971991119399;0.011037678001099125;1.0710961573637026;0.001851576415521028 +['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DHPAA.GG_urine_post', 'DHPAA.GS_urine_post', 'DHPAA.SS_urine_post', 'Total.DHPAA_urine_post'];rf_multiTargets;-2.3110211312477476;0.04628637896199853;0.0026097777909507226;1.796087079874182;0.002922190720789475 +['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DHPAA.GG_urine_post', 'DHPAA.GS_urine_post', 'DHPAA.SS_urine_post', 'Total.DHPAA_urine_post'];rf_multiTargets;-0.006926879370807049;0.06392004236789949;0.006485389883549671;1.4233645842628497;0.002132505057419576 diff --git a/results/multiple_targets/DHPAAFamily/metricsMulti_xgb_multiTargets.csv b/results/multiple_targets/DHPAAFamily/metricsMulti_xgb_multiTargets.csv new file mode 100644 index 0000000..bab1905 --- /dev/null +++ b/results/multiple_targets/DHPAAFamily/metricsMulti_xgb_multiTargets.csv @@ -0,0 +1,7 @@ +target;method;r2;mae;mse;mape;ev +['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DHPAA.GG_urine_post', 'DHPAA.GS_urine_post', 'DHPAA.SS_urine_post', 'Total.DHPAA_urine_post'];xgb_multiTargets;0.13516581291258212;0.10352230135881683;0.018089238428637227;1.8643767839985301;0.14179043600559582 +['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DHPAA.GG_urine_post', 'DHPAA.GS_urine_post', 'DHPAA.SS_urine_post', 'Total.DHPAA_urine_post'];xgb_multiTargets;0.024425062220909344;0.058311195380099844;0.0058355320412647235;1.8743890514414716;0.02734539934629232 +['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DHPAA.GG_urine_post', 'DHPAA.GS_urine_post', 'DHPAA.SS_urine_post', 'Total.DHPAA_urine_post'];xgb_multiTargets;-0.027915481177275936;0.028688605190028922;0.0010330597628428965;1.4053160147573982;-0.022243798365058742 +['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DHPAA.GG_urine_post', 'DHPAA.GS_urine_post', 'DHPAA.SS_urine_post', 'Total.DHPAA_urine_post'];xgb_multiTargets;-0.11567747342295354;0.08632689305827879;0.011146932790687998;1.9716609884442984;0.02725676806285038 +['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DHPAA.GG_urine_post', 'DHPAA.GS_urine_post', 'DHPAA.SS_urine_post', 'Total.DHPAA_urine_post'];xgb_multiTargets;-0.08305863289042992;0.023592695340931415;0.0008536769336019679;0.8961942228645334;-0.039730038177603344 +['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DHPAA.GG_urine_post', 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'E.S_urine_post', 'E_plasm_post', 'E.S_plasm_post', 'EG.1_post'];rf_multiTargets;-0.005684840042878392;0.13517065046788365;0.048238166277610635;3.715046194938772;0.0 +['E_urine_post', 'E.S_urine_post', 'E_plasm_post', 'E.S_plasm_post', 'EG.1_post'];rf_multiTargets;-1.2832718334404936;0.23537357423513652;0.08608979782246481;0.5503462794845453;0.0 +['E_urine_post', 'E.S_urine_post', 'E_plasm_post', 'E.S_plasm_post', 'EG.1_post'];rf_multiTargets;-0.002708773812507781;0.10297730772622993;0.03226459247891639;48945313087488.64;0.0 +['E_urine_post', 'E.S_urine_post', 'E_plasm_post', 'E.S_plasm_post', 'EG.1_post'];rf_multiTargets;-5.427365460822263;0.12171908716080362;0.015897505663659793;29.631135344258457;0.0 diff --git a/results/multiple_targets/EriodyctiolFamily/metricsMulti_xgb_multiTargets.csv b/results/multiple_targets/EriodyctiolFamily/metricsMulti_xgb_multiTargets.csv new file mode 100644 index 0000000..2f5cac4 --- /dev/null +++ b/results/multiple_targets/EriodyctiolFamily/metricsMulti_xgb_multiTargets.csv @@ -0,0 +1,6 @@ +target;method;r2;mae;mse;mape;ev +['E_urine_post', 'E.S_urine_post', 'E_plasm_post', 'E.S_plasm_post', 'EG.1_post'];xgb_multiTargets;-0.1604061746859211;0.05455581906737721;0.0048981814996586605;1.0628534684968265;-0.1403631277713322 +['E_urine_post', 'E.S_urine_post', 'E_plasm_post', 'E.S_plasm_post', 'EG.1_post'];xgb_multiTargets;0.06644530754656519;0.14509493244382626;0.044778408394713816;3.8801801035061123;0.06656395000982274 +['E_urine_post', 'E.S_urine_post', 'E_plasm_post', 'E.S_plasm_post', 'EG.1_post'];xgb_multiTargets;-0.23146980872461764;0.17778659328108756;0.04643204777673037;0.7690353604968019;-0.23146968748968466 +['E_urine_post', 'E.S_urine_post', 'E_plasm_post', 'E.S_plasm_post', 'EG.1_post'];xgb_multiTargets;-0.05803732469065381;0.10813127122819421;0.03404492311245104;65454375249042.836;-0.051281099495753324 +['E_urine_post', 'E.S_urine_post', 'E_plasm_post', 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b/results/multiple_targets/HomoeriodyctiolFamily/metricsMulti_rf_multiTargets.csv @@ -0,0 +1,6 @@ +target;method;r2;mae;mse;mape;ev +['HE.G_plasm_post', 'HE_post', 'HE.G_urine_post', 'HE.GG_post', 'Total.HE_post'];rf_multiTargets;-460.64112190027504;0.29164149572715814;0.0852394063397983;379.94860456620245;7.771561172376096e-16 +['HE.G_plasm_post', 'HE_post', 'HE.G_urine_post', 'HE.GG_post', 'Total.HE_post'];rf_multiTargets;-16.839694541608722;0.3083165894801069;0.10070406255790341;0.4938552963684871;0.0 +['HE.G_plasm_post', 'HE_post', 'HE.G_urine_post', 'HE.GG_post', 'Total.HE_post'];rf_multiTargets;-8.112965616019409;0.2631670394392959;0.07178978547670158;51.288767213312205;2.220446049250313e-16 +['HE.G_plasm_post', 'HE_post', 'HE.G_urine_post', 'HE.GG_post', 'Total.HE_post'];rf_multiTargets;-28.658851530603734;0.47466639702364516;0.23316991970629583;0.6009235357935621;2.220446049250313e-16 +['HE.G_plasm_post', 'HE_post', 'HE.G_urine_post', 'HE.GG_post', 'Total.HE_post'];rf_multiTargets;-8.026491521169055;0.26162515404979286;0.07094551885308313;30.02603571020038;0.0 diff --git a/results/multiple_targets/HomoeriodyctiolFamily/metricsMulti_xgb_multiTargets.csv b/results/multiple_targets/HomoeriodyctiolFamily/metricsMulti_xgb_multiTargets.csv new file mode 100644 index 0000000..8273f59 --- /dev/null +++ b/results/multiple_targets/HomoeriodyctiolFamily/metricsMulti_xgb_multiTargets.csv @@ -0,0 +1,6 @@ +target;method;r2;mae;mse;mape;ev +['HE.G_plasm_post', 'HE_post', 'HE.G_urine_post', 'HE.GG_post', 'Total.HE_post'];xgb_multiTargets;-6.014013111670629;0.019777540309769113;0.0012950976101031124;18.32540043143229;-5.941072848490397 +['HE.G_plasm_post', 'HE_post', 'HE.G_urine_post', 'HE.GG_post', 'Total.HE_post'];xgb_multiTargets;-0.2008870572803747;0.06322132790006849;0.006778939239081498;0.10655803687897247;-0.15380602533507837 +['HE.G_plasm_post', 'HE_post', 'HE.G_urine_post', 'HE.GG_post', 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a/results/multiple_targets/NaringeninFamily/testVsPredicted_lmplot_Total.N_post_xgb_multiTargets_.png b/results/multiple_targets/NaringeninFamily/testVsPredicted_lmplot_Total.N_post_xgb_multiTargets_.png new file mode 100644 index 0000000..af807a9 Binary files /dev/null and b/results/multiple_targets/NaringeninFamily/testVsPredicted_lmplot_Total.N_post_xgb_multiTargets_.png differ diff --git a/results/multiple_targets/OthersFamily/df_pred-test_multiTargetrf_multiTargets.csv b/results/multiple_targets/OthersFamily/df_pred-test_multiTargetrf_multiTargets.csv new file mode 100644 index 0000000..d505a53 --- /dev/null +++ b/results/multiple_targets/OthersFamily/df_pred-test_multiTargetrf_multiTargets.csv @@ -0,0 +1,29 @@ +;CA_plasm_post;CA_plasm_post_pred;CA_urine_post;CA_urine_post_pred +135;0.44797849655151367;0.20712878;0.005309735;0.20366439 +66;0.132530120481928;0.20592348;0.033628319;0.20389502 +31;0.253012048192771;0.20557061;0.051327434;0.20395596 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0000000..48e7ead --- /dev/null +++ b/results/multiple_targets/VAFamily/df_pred-test_multiTargetrf_multiTargets.csv @@ -0,0 +1,29 @@ +;Total.VA_urine_post;Total.VA_urine_post_pred;VA.GG_urine_post;VA.GG_urine_post_pred;VA.GS_urine_post;VA.GS_urine_post_pred;VA.SS_urine_post;VA.SS_urine_post_pred;VA_urine_post;VA_urine_post_pred +135;0.010171288;0.098127;0.060643564;0.09870211;0.005735493;0.09905875;0.016797312;0.097928025;0.007698589;0.09800383 +66;0.044395852;0.09786343;0.060643564;0.099299975;0.132591093;0.098753564;0.072788354;0.0978764;0.033343887;0.09775944 +31;0.024003578;0.0980283;0.011138614;0.099827096;0.195006748;0.09945005;0.054871221;0.09783592;0.011214611;0.097876325 +118;0.085346056;0.098658465;0.179455446;0.10007935;0.160931174;0.09945725;0.062709966;0.09814885;0.071986802;0.09849084 +42;0.047510188;0.098601624;0.063118812;0.100553915;0.108974359;0.09956812;0.095931318;0.0980722;0.036576628;0.09842959 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b/results/multiple_targets/VAFamily/df_pred-test_multiTargetxgb_multiTargets.csv new file mode 100644 index 0000000..4b5da40 --- /dev/null +++ b/results/multiple_targets/VAFamily/df_pred-test_multiTargetxgb_multiTargets.csv @@ -0,0 +1,29 @@ +;Total.VA_urine_post;Total.VA_urine_post_pred;VA.GG_urine_post;VA.GG_urine_post_pred;VA.GS_urine_post;VA.GS_urine_post_pred;VA.SS_urine_post;VA.SS_urine_post_pred;VA_urine_post;VA_urine_post_pred +135;0.010171288;0.067022994;0.060643564;0.07676133;0.005735493;0.16425487;0.016797312;0.054055274;0.007698589;0.055570196 +66;0.044395852;0.039012536;0.060643564;0.18772137;0.132591093;0.13449714;0.072788354;0.037882697;0.033343887;0.028666193 +31;0.024003578;0.053055204;0.011138614;0.27635822;0.195006748;0.19900112;0.054871221;0.036008917;0.011214611;0.038167924 +118;0.085346056;0.24798083;0.179455446;0.43817607;0.160931174;0.23542416;0.062709966;0.082176305;0.071986802;0.22861265 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diff --git a/results/multiple_targets/VAFamily/metricsMulti_rf_multiTargets.csv b/results/multiple_targets/VAFamily/metricsMulti_rf_multiTargets.csv new file mode 100644 index 0000000..9cd69c8 --- /dev/null +++ b/results/multiple_targets/VAFamily/metricsMulti_rf_multiTargets.csv @@ -0,0 +1,6 @@ +target;method;r2;mae;mse;mape;ev +['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_urine_post', 'VA.SS_urine_post', 'Total.VA_urine_post'];rf_multiTargets;-4.527210256197576;0.06286301271084321;0.004598864629261612;4.085442370933061;0.0013412897015027125 +['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_urine_post', 'VA.SS_urine_post', 'Total.VA_urine_post'];rf_multiTargets;-0.038047297593607476;0.06992378929843861;0.009056349263125337;1.7382826835864003;-0.001897627962749171 +['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_urine_post', 'VA.SS_urine_post', 'Total.VA_urine_post'];rf_multiTargets;-0.09772372446155675;0.058020969482617916;0.0045620567933742215;1.1768523401903817;0.003835290161220306 +['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_urine_post', 'VA.SS_urine_post', 'Total.VA_urine_post'];rf_multiTargets;-1.7267600128611327;0.0512451723742419;0.0036706100063171316;15.789334044792506;0.001138671564020921 +['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_urine_post', 'VA.SS_urine_post', 'Total.VA_urine_post'];rf_multiTargets;-3.091469813520221;0.05478002405585562;0.0036280000508236406;2.2624704806005274;0.0017856179331424693 diff --git a/results/multiple_targets/VAFamily/metricsMulti_xgb_multiTargets.csv b/results/multiple_targets/VAFamily/metricsMulti_xgb_multiTargets.csv new file mode 100644 index 0000000..31c10dd --- /dev/null +++ b/results/multiple_targets/VAFamily/metricsMulti_xgb_multiTargets.csv @@ -0,0 +1,6 @@ +target;method;r2;mae;mse;mape;ev +['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_urine_post', 'VA.SS_urine_post', 'Total.VA_urine_post'];xgb_multiTargets;-5.558949107343138;0.05452912617442734;0.005457313483065941;3.140539473744887;-3.5084629546443358 +['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_urine_post', 'VA.SS_urine_post', 'Total.VA_urine_post'];xgb_multiTargets;-1.6712812823550713;0.1226577816488762;0.023305350660936815;3.971018786269615;-0.8779272617664242 +['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_urine_post', 'VA.SS_urine_post', 'Total.VA_urine_post'];xgb_multiTargets;-0.6801982361700312;0.07102641247287382;0.006982776819636201;1.9893916103758742;-0.008241842183092318 +['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_urine_post', 'VA.SS_urine_post', 'Total.VA_urine_post'];xgb_multiTargets;-0.0407490809274309;0.03298089027601617;0.001400997510781723;6.06940170458572;-0.040199944525974196 +['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_urine_post', 'VA.SS_urine_post', 'Total.VA_urine_post'];xgb_multiTargets;-5.742298293889972;0.05722421421645097;0.005978550415322542;2.0713474401493475;-3.4809986120927165 diff --git a/results/multiple_targets/VAFamily/residualsVsPredicted_Total.VA_urine_post_rf_multiTargets_.png 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b/scripts/__pycache__/fit_models.cpython-310.pyc differ diff --git a/scripts/__pycache__/plotting.cpython-310.pyc b/scripts/__pycache__/plotting.cpython-310.pyc index d24611c..981a1b7 100644 Binary files a/scripts/__pycache__/plotting.cpython-310.pyc and b/scripts/__pycache__/plotting.cpython-310.pyc differ diff --git a/scripts/__pycache__/scoring.cpython-310.pyc b/scripts/__pycache__/scoring.cpython-310.pyc index fd44de5..b57c777 100644 Binary files a/scripts/__pycache__/scoring.cpython-310.pyc and b/scripts/__pycache__/scoring.cpython-310.pyc differ diff --git a/scripts/__pycache__/utils.cpython-310.pyc b/scripts/__pycache__/utils.cpython-310.pyc index e15abb8..8b0add9 100644 Binary files a/scripts/__pycache__/utils.cpython-310.pyc and b/scripts/__pycache__/utils.cpython-310.pyc differ diff --git a/scripts/modelSanoApp.py b/scripts/modelSanoApp.py index 859650b..ba23cb5 100644 --- a/scripts/modelSanoApp.py +++ b/scripts/modelSanoApp.py @@ -62,6 +62,7 @@ def post_model(model, X_test, y_test, targets, modelname, savePath, multiple = F df_predTest = pd.DataFrame([i for i in y_pred], index = y_test.index, columns= y_test.columns).add_suffix("_pred").join(y_test) df_predTest.reindex(sorted(df_predTest.columns), axis=1).to_csv(savePath+"/df_pred-test_multiTarget"+modelname+".csv", sep = ";", decimal = ".") + y_pred = pd.DataFrame([i for i in y_pred], index = y_test.index, columns= y_test.columns) result_metrics = modelMetrics(target=targets, method = modelname, y_true=y_test, y_pred=y_pred, multiple = multiple) result_metrics.to_csv(savePath+"/metricsMulti_"+modelname+".csv", sep=";", decimal=".", index = False) @@ -77,7 +78,6 @@ def post_model(model, X_test, y_test, targets, modelname, savePath, multiple = F result_metrics = modelMetrics(target=targets, method = modelname, y_true=y_test, y_pred=y_pred) pd.Series(result_metrics, name="Value").reset_index().to_csv(savePath+"/metrics_"+targets+"_"+modelname+".csv", sep=";", decimal=".", index = False) - plotTestVsPredicted (metabs=targets, df_predTest=df_predTest, modelname=modelname, savePath=savePath) plotResiduals(metabs=targets, df_predTest=df_predTest, modelname=modelname, savePath=savePath) @@ -96,20 +96,14 @@ def exec_models(df, directory, targets, features, multiple = False): if target in features: features = df.drop(target, axis = 1).columns - if not os.path.exists(os.path.join(directory,target)): - new_directory = os.path.join(directory,target) - os.mkdir(new_directory) - else: - new_directory = os.path.join(directory,target,"v1") - os.mkdir(new_directory) - + X_train, X_test, X_val, y_train, y_test, y_val = preproc(df=df, targets=target, 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 = target, modelname = "xgb_"+target, savePath=new_directory) - post_model(rf_model, X_test=X_test, y_test=y_test, targets = target, modelname ="rf_"+target, savePath=new_directory) - post_model(lgbm_model, X_test=X_test, y_test=y_test, targets = target, modelname ="lgbm_"+target, savePath=new_directory) + post_model(xgb_model, X_test=X_test, y_test=y_test, targets = target, modelname = "xgb_"+target, savePath=directory) + post_model(rf_model, X_test=X_test, y_test=y_test, targets = target, modelname ="rf_"+target, savePath=directory) + post_model(lgbm_model, X_test=X_test, y_test=y_test, targets = target, modelname ="lgbm_"+target, savePath=directory) ## execution @@ -168,92 +162,139 @@ plasm_ant_features = ['CA_plasm_pre', 'CA.G_plasm_pre', 'CA.S_plasm_pre', 'To # Total VA, Total DHPAA, DHPAA_plasm -> Ok # VA_plasm -> =( -multipleStudy = True +multipleStudy = False if multipleStudy: + # TFA & CA + directory = "../results/multiple_targets/OthersFamily" + if not os.path.exists(directory): + os.mkdir(directory) + features = ['TFA.G_plasm_pre','TFA.S_plasm_pre', 'Total.TFA_plasm_pre','TFA.G_urine_pre','TFA.S_urine_pre', 'Total.TFA_urine_pre'] + study_features + targets = ['TFA.G_plasm_post','TFA.S_plasm_post', 'Total.TFA_plasm_post', 'TFA.G_urine_post','TFA.S_urine_post', 'Total.TFA_urine_post'] + exec_models(main_df, features=features,targets=targets, multiple=True, directory=directory+"/") + features = ['CA_plasm_pre', 'CA.G_plasm_pre', 'CA.S_plasm_pre','Total.CA_plasm_pre', + 'CA_urine_pre', 'CA.G_urine_pre', 'CA.S_urine_pre', 'CA.GS_pre', 'Total.CA_urine_pre'] + study_features + targets = ['CA_plasm_post', "CA_urine_post"] + exec_models(main_df, features=features,targets=targets, multiple=True, directory=directory+"/") + + # VA Family targets = ['VA_urine_post','VA.GG_urine_post', 'VA.GS_urine_post', 'VA.SS_urine_post','Total.VA_urine_post'] features = ['VA_urine_pre', 'VA.GG_urine_pre', 'VA.GS_urine_pre','VA.SS_urine_pre', 'Total.VA_urine_pre'] + study_features #+ ["Fat_pre","CVRI_pre","Bpmin_pre","Bpmax_pre","Frec_pre"] - if not os.path.exists("../results/indResults/customStudy/VAFamily/multiple"): - os.mkdir("../results/indResults/customStudy/VAFamily/multiple") + if not os.path.exists("../results/multiple_targets/VAFamily"): + os.mkdir("../results/multiple_targets/VAFamily") - exec_models(main_df, features=features, targets=targets, multiple=True, directory="../results/indResults/customStudy/VAFamily/multiple/") + exec_models(main_df, features=features, targets=targets, multiple=True, directory="../results/multiple_targets/VAFamily/") # DHPAA Family targets = ['DHPAA_plasm_post','DHPAA.G_plasm_post', 'DHPAA.GG_plasm_post', 'DHPAA.GS_plasm_post','DHPAA.SS_plasm_post', 'Total.DHPAA_plasm_post'] features = ['DHPAA_plasm_pre', 'DHPAA.G_plasm_pre', 'DHPAA.GG_plasm_pre', 'DHPAA.GS_plasm_pre', 'DHPAA.SS_plasm_pre', 'Total.DHPAA_plasm_pre',] + study_features #+ ["Fat_pre","CVRI_pre","Bpmin_pre","Bpmax_pre","Frec_pre"] - if not os.path.exists("../results/indResults/customStudy/DHPAAFamily/multiple"): - os.mkdir("../results/indResults/customStudy/DHPAAFamily/multiple") - exec_models(main_df, features=features, targets=targets, multiple=True, directory="../results/indResults/customStudy/DHPAAFamily/multiple/") + if not os.path.exists("../results/multiple_targets/DHPAAFamily"): + os.mkdir("../results/multiple_targets/DHPAAFamily") + exec_models(main_df, features=features, targets=targets, multiple=True, directory="../results/multiple_targets/DHPAAFamily/") targets = ['DHPAA_urine_post','DHPAA.G_urine_post', 'DHPAA.GG_urine_post', 'DHPAA.GS_urine_post','DHPAA.SS_urine_post', 'Total.DHPAA_urine_post'] features = ['DHPAA_urine_pre', 'DHPAA.G_urine_pre', 'DHPAA.GG_urine_pre', 'DHPAA.GS_urine_pre', 'DHPAA.SS_urine_pre', 'Total.DHPAA_urine_pre',] + study_features #+ ["Fat_pre","CVRI_pre","Bpmin_pre","Bpmax_pre","Frec_pre"] - exec_models(main_df, features=features, targets=targets, multiple=True, directory="../results/indResults/customStudy/DHPAAFamily/multiple/") + exec_models(main_df, features=features, targets=targets, multiple=True, directory="../results/multiple_targets/DHPAAFamily/") # Naringenin targets = ['N.G_plasm_post','N_post','N.G_urine_post', 'N.GG_post', 'N.S_post', 'Total.N_post'] features = ['N.G_plasm_pre', 'N_pre','N.G_urine_pre', 'N.GG_pre', 'N.S_pre', 'Total.N_pre'] + study_features #+ ["Fat_pre","CVRI_pre","Bpmin_pre","Bpmax_pre","Frec_pre"] - if not os.path.exists("../results/indResults/customStudy/NaringeninFamily/multiple"): - os.mkdir("../results/indResults/customStudy/NaringeninFamily/multiple") - exec_models(main_df, features=features, targets=targets, multiple=True, directory="../results/indResults/customStudy/NaringeninFamily/multiple/") + if not os.path.exists("../results/multiple_targets/NaringeninFamily"): + os.mkdir("../results/multiple_targets/NaringeninFamily") + exec_models(main_df, features=features, targets=targets, multiple=True, directory="../results/multiple_targets/NaringeninFamily/") # Eriodictiol targets = ['E_urine_post', 'E.S_urine_post', 'E_plasm_post', 'E.S_plasm_post', 'EG.1_post'] features = ['E_plasm_pre', 'E.S_plasm_pre','E_urine_pre', 'E.S_urine_pre','EG.1_pre'] + study_features #+ ["Fat_pre","CVRI_pre","Bpmin_pre","Bpmax_pre","Frec_pre"] - if not os.path.exists("../results/indResults/customStudy/EriodyctiolFamily/multiple"): - - os.mkdir("../results/indResults/customStudy/EriodyctiolFamily/multiple") - exec_models(main_df, features=features, targets=targets, multiple=True, directory="../results/indResults/customStudy/EriodyctiolFamily/multiple/") + if not os.path.exists("../results/multiple_targets/EriodyctiolFamily"): + os.mkdir("../results/multiple_targets/EriodyctiolFamily") + exec_models(main_df, features=features, targets=targets, multiple=True, directory="../results/multiple_targets/EriodyctiolFamily/") # Homoeriodictiol - + targets = ['HE.G_plasm_post', 'HE_post', 'HE.G_urine_post', 'HE.GG_post', 'Total.HE_post'] features = ['HE.G_plasm_pre', 'HE_pre', 'HE.G_urine_pre', 'HE.GG_pre', 'Total.HE_pre'] + study_features #+ ["Fat_pre","CVRI_pre","Bpmin_pre","Bpmax_pre","Frec_pre"] - if not os.path.exists("../results/indResults/customStudy/HomoeriodyctiolFamily/multiple"): - os.mkdir("../results/indResults/customStudy/HomoeriodyctiolFamily/multiple") - exec_models(main_df, features=features, targets=targets, multiple=True, directory="../results/indResults/customStudy/HomoeriodyctiolFamily/multiple/") + if not os.path.exists("../results/multiple_targets/HomoeriodyctiolFamily"): + os.mkdir("../results/multiple_targets/HomoeriodyctiolFamily") + exec_models(main_df, features=features, targets=targets, multiple=True, directory="../results/multiple_targets/HomoeriodyctiolFamily/") -customStudy = False +customStudy = True if customStudy: + directory = "../results/customStudy/OthersFamily" + tfatry = False + if tfatry: + # TFA & CA + directory = "../results/customStudy/OthersFamily" + print(" ----------------- STARTING "+ directory + "----------------- ") + if not os.path.exists(directory): + os.mkdir(directory) + features = ['TFA.G_plasm_pre','TFA.S_plasm_pre', 'Total.TFA_plasm_pre','TFA.G_urine_pre','TFA.S_urine_pre', 'Total.TFA_urine_pre'] + study_features + targets = ['TFA.G_plasm_post','TFA.S_plasm_post', 'Total.TFA_plasm_post', 'TFA.G_urine_post','TFA.S_urine_post', 'Total.TFA_urine_post'] + exec_models(main_df, features=features,targets=targets, multiple=False, directory=directory+"/") - # VA Family - targets = ['VA_urine_post','VA.GG_urine_post', 'VA.GS_urine_post', 'VA.SS_urine_post','Total.VA_urine_post'] - features = ['VA_urine_pre', 'VA.GG_urine_pre', 'VA.GS_urine_pre','VA.SS_urine_pre', 'Total.VA_urine_pre'] + study_features #+ ["Fat_pre","CVRI_pre","Bpmin_pre","Bpmax_pre","Frec_pre"] - exec_models(main_df, features=features, targets=targets, multiple=False, directory="../results/indResults/customStudy/VAFamily/") + features = ['CA_plasm_pre', 'CA.G_plasm_pre', 'CA.S_plasm_pre','Total.CA_plasm_pre', + 'CA_urine_pre', 'CA.G_urine_pre', 'CA.S_urine_pre', 'CA.GS_pre', 'Total.CA_urine_pre'] + study_features + targets = ['CA_plasm_post', "CA_urine_post"] + exec_models(main_df, features=features,targets=targets, multiple=False, directory=directory+"/") + + # VA Family + directory = "../results/customStudy/VAFamily" + print(" ----------------- STARTING "+ directory + "----------------- ") + if not os.path.exists(directory): + os.mkdir(directory) + targets = ['VA_urine_post','VA.GG_urine_post', 'VA.GS_urine_post', 'VA.SS_urine_post','Total.VA_urine_post', + 'VA_plasm_post','VA.GG_plasm_post', 'VA.S_post', 'VA.GS_plasm_post', 'VA.SS_plasm_post', + 'Total.VA_plasm_post'] + features = ['VA_urine_pre', 'VA.GG_urine_pre', 'VA.GS_urine_pre','VA.SS_urine_pre', 'Total.VA_urine_pre', + 'VA_plasm_pre','VA.GG_plasm_pre', 'VA.S_pre', 'VA.GS_plasm_pre', 'VA.SS_plasm_pre', + 'Total.VA_plasm_pre'] + study_features #+ ["Fat_pre","CVRI_pre","Bpmin_pre","Bpmax_pre","Frec_pre"] + exec_models(main_df, features=features, targets=targets, multiple=False, directory=directory+"/") + # DHPAA Family - - targets = ['DHPAA_plasm_post','DHPAA.G_plasm_post', 'DHPAA.GG_plasm_post', 'DHPAA.GS_plasm_post','DHPAA.SS_plasm_post', 'Total.DHPAA_plasm_post'] - features = ['DHPAA_plasm_pre', 'DHPAA.G_plasm_pre', 'DHPAA.GG_plasm_pre', 'DHPAA.GS_plasm_pre', 'DHPAA.SS_plasm_pre', 'Total.DHPAA_plasm_pre',] + study_features #+ ["Fat_pre","CVRI_pre","Bpmin_pre","Bpmax_pre","Frec_pre"] - os.mkdir("../results/indResults/customStudy/DHPAAFamily") - exec_models(main_df, features=features, targets=targets, multiple=False, directory="../results/indResults/customStudy/DHPAAFamily/") + directory = "../results/customStudy/DHPAAFamily" + print(" ----------------- STARTING "+ directory + "----------------- ") - targets = ['DHPAA_urine_post','DHPAA.G_urine_post', 'DHPAA.GG_urine_post', 'DHPAA.GS_urine_post','DHPAA.SS_urine_post', 'Total.DHPAA_urine_post'] - features = ['DHPAA_urine_pre', 'DHPAA.G_urine_pre', 'DHPAA.GG_urine_pre', 'DHPAA.GS_urine_pre', 'DHPAA.SS_urine_pre', 'Total.DHPAA_urine_pre',] + study_features #+ ["Fat_pre","CVRI_pre","Bpmin_pre","Bpmax_pre","Frec_pre"] - exec_models(main_df, features=features, targets=targets, multiple=False, directory="../results/indResults/customStudy/DHPAAFamily/") + if not os.path.exists(directory): + os.mkdir(directory) + targets = ['DHPAA_plasm_post','DHPAA.G_plasm_post', 'DHPAA.GG_plasm_post', 'DHPAA.GS_plasm_post','DHPAA.SS_plasm_post', 'Total.DHPAA_plasm_post', + 'DHPAA_urine_post','DHPAA.G_urine_post', 'DHPAA.GG_urine_post', 'DHPAA.GS_urine_post','DHPAA.SS_urine_post', 'Total.DHPAA_urine_post'] + features = ['DHPAA_plasm_pre', 'DHPAA.G_plasm_pre', 'DHPAA.GG_plasm_pre', 'DHPAA.GS_plasm_pre', 'DHPAA.SS_plasm_pre', 'Total.DHPAA_plasm_pre', + 'DHPAA_urine_pre', 'DHPAA.G_urine_pre', 'DHPAA.GG_urine_pre', 'DHPAA.GS_urine_pre', 'DHPAA.SS_urine_pre', 'Total.DHPAA_urine_pre'] + study_features #+ ["Fat_pre","CVRI_pre","Bpmin_pre","Bpmax_pre","Frec_pre"] + exec_models(main_df, features=features, targets=targets, multiple=False, directory=directory+"/") # Naringenin + directory = "../results/customStudy/NaringeninFamily" + print(" ----------------- STARTING "+ directory + "----------------- ") + if not os.path.exists(directory): + os.mkdir(directory) targets = ['N.G_plasm_post','N_post','N.G_urine_post', 'N.GG_post', 'N.S_post', 'Total.N_post'] features = ['N.G_plasm_pre', 'N_pre','N.G_urine_pre', 'N.GG_pre', 'N.S_pre', 'Total.N_pre'] + study_features #+ ["Fat_pre","CVRI_pre","Bpmin_pre","Bpmax_pre","Frec_pre"] - os.mkdir("../results/indResults/customStudy/NaringeninFamily") - exec_models(main_df, features=features, targets=targets, multiple=False, directory="../results/indResults/customStudy/NaringeninFamily/") + exec_models(main_df, features=features, targets=targets, multiple=False, directory=directory+"/") # Eriodictiol + directory = "../results/customStudy/EriodyctiolFamily" + print(" ----------------- STARTING "+ directory + "----------------- ") + + if not os.path.exists(directory): + os.mkdir(directory) targets = ['E_urine_post', 'E.S_urine_post', 'E_plasm_post', 'E.S_plasm_post', 'EG.1_post'] features = ['E_plasm_pre', 'E.S_plasm_pre','E_urine_pre', 'E.S_urine_pre','EG.1_pre'] + study_features #+ ["Fat_pre","CVRI_pre","Bpmin_pre","Bpmax_pre","Frec_pre"] - os.mkdir("../results/indResults/customStudy/EriodyctiolFamily") - exec_models(main_df, features=features, targets=targets, multiple=False, directory="../results/indResults/customStudy/EriodyctiolFamily/") + exec_models(main_df, features=features, targets=targets, multiple=False, directory=directory+"/") # Homoeriodictiol - + directory = "../results/customStudy/HomoeriodyctiolFamily" + print(" ----------------- STARTING "+ directory + "----------------- ") + if not os.path.exists(directory): + os.mkdir(directory) targets = ['HE.G_plasm_post', 'HE_post', 'HE.G_urine_post', 'HE.GG_post', 'Total.HE_post'] features = ['HE.G_plasm_pre', 'HE_pre', 'HE.G_urine_pre', 'HE.GG_pre', 'Total.HE_pre'] + study_features #+ ["Fat_pre","CVRI_pre","Bpmin_pre","Bpmax_pre","Frec_pre"] - os.mkdir("../results/indResults/customStudy/HomoeriodyctiolFamily") - exec_models(main_df, features=features, targets=targets, multiple=False, directory="../results/indResults/customStudy/HomoeriodyctiolFamily/") + exec_models(main_df, features=features, targets=targets, multiple=False, directory=directory+"/") diff --git a/scripts/plotting.py b/scripts/plotting.py index 497acee..c943da5 100644 --- a/scripts/plotting.py +++ b/scripts/plotting.py @@ -9,7 +9,7 @@ def plotTestVsPredicted (df_predTest, metabs, modelname, savePath, multiple = def plotTVP(df_predTest, metab, modelname): plt.figure() - sns.lmplot(data = df_predTest, x=metab+"_pred", y=metab, height=7, aspect = 1) + sns.lmplot(data = df_predTest, x=metab+"_pred", y=metab+"_test", height=7, aspect = 1) plt.title("TEST VS PREDICTED lmplot " + metab + " " + modelname) plt.savefig(savePath+"/testVsPredicted_lmplot_"+ metab+"_"+modelname+"_"".png") plt.close("all") @@ -30,7 +30,7 @@ def plotResiduals (df_predTest, metabs, modelname, savePath, multiple = False): def plotR (df_predTest, metab, modelname): y_pred_metab = df_predTest[metab+"_pred"] - residuals = df_predTest[metab]-df_predTest[metab+"_pred"] + residuals = df_predTest[metab+"_test"]-df_predTest[metab+"_pred"] df_all = pd.concat([y_pred_metab, residuals], axis=1) df_all.columns = ["Predicted", "Residuals"] diff --git a/scripts/pruebas.ipynb b/scripts/pruebas.ipynb index d520bfb..834f152 100644 --- a/scripts/pruebas.ipynb +++ b/scripts/pruebas.ipynb @@ -301,116 +301,37 @@ }, { "cell_type": "code", - "execution_count": 15, + "execution_count": 3, "id": "141cc6dc", "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "" - ] - }, - "execution_count": 15, - "metadata": {}, - "output_type": "execute_result" - }, - { - "data": { - "image/png": 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- "text/plain": [ - "
" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], + "outputs": [], "source": [ "\n", "import pandas as pd\n", "import matplotlib.pyplot as plt\n", - "import seaborn as sns\n", - "\n", - "df = pd.read_csv(\"../results/indResults/metricsIndResults.csv\", sep = \";\", decimal = \".\")\n", - "plt.figure(figsize=(25,10))\n", - "sns.barplot(data = df, x = \"method\", y = \"r2\", hue = \"target\")\n" + "import seaborn as sns\n" ] }, { "cell_type": "code", - "execution_count": 33, + "execution_count": 4, "id": "18cd8802", "metadata": {}, "outputs": [ { - "name": "stdout", - "output_type": "stream", - "text": [ - "{'target': 'BMI', 'method': 'xgb', 'r2': 0.5915732720034663, 'mae': 1.4491291428571433, 'mse': 3.660066111504857, 'mape': 0.04908226329623315, 'ev': 0.6169756946279494}\n", - "{'target': 'Bpmax', 'method': 'xgb', 'r2': 0.36449172148362063, 'mae': 10.672539928571428, 'mse': 167.85200286855067, 'mape': 0.0863313428288881, 'ev': 0.37060618727098826}\n", - "{'target': 'Bpmin', 'method': 'xgb', 'r2': 0.28647509988894726, 'mae': 9.299929428571428, 'mse': 130.43945058496993, 'mape': 0.11657396800388535, 'ev': 0.3012212975343377}\n", - "{'target': 'CA.GS', 'method': 'xgb', 'r2': -137.1213216296515, 'mae': 0.036805360464285716, 'mse': 0.001440936593888928, 'mape': 12.175918487186324, 'ev': -7.27250219178514}\n", - "{'target': 'CA.G_plasm', 'method': 'xgb', 'r2': -0.052199560740131545, 'mae': 0.09335067549896968, 'mse': 0.013109584191956418, 'mape': 2.9840703958996846, 'ev': 0.04991298870372174}\n", - "{'target': 'CA.G_urine', 'method': 'xgb', 'r2': -0.8507914257621536, 'mae': 0.06850851957142857, 'mse': 0.006074033072082868, 'mape': 3.781991295655921, 'ev': -0.0657176904546406}\n", - "{'target': 'CA.S_plasm', 'method': 'xgb', 'r2': -0.04004253991550066, 'mae': 0.12997594401759363, 'mse': 0.022109461042920907, 'mape': 0.6748930899972675, 'ev': 0.010496094580946469}\n", - "{'target': 'CA.S_urine', 'method': 'xgb', 'r2': -0.0037001991708351945, 'mae': 0.10938123617171573, 'mse': 0.020754459022729353, 'mape': 0.7868966562132613, 'ev': 0.07001619050091079}\n", - "{'target': 'CA_plasm', 'method': 'xgb', 'r2': -0.05827958466958316, 'mae': 0.16142814668368963, 'mse': 0.03404200053073019, 'mape': 0.6694491142109056, 'ev': 0.007744895293677945}\n", - "{'target': 'CA_urine', 'method': 'xgb', 'r2': -3.3513045380721493, 'mae': 0.05268977991486727, 'mse': 0.0030907622439707706, 'mape': 3.76892483996958, 'ev': -0.12540555987020396}\n", - "{'target': 'CVRI', 'method': 'xgb', 'r2': 0.5045549112484258, 'mae': 1.956301952885655, 'mse': 5.736966766502502, 'mape': 0.16949198559224182, 'ev': 0.5695926653302014}\n", - "{'target': 'DHPAA.GG_plasm', 'method': 'xgb', 'r2': -0.19907962123905287, 'mae': 0.1387140319794178, 'mse': 0.026266122772797183, 'mape': 2.2241253380450847, 'ev': -0.03823638773153193}\n", - "{'target': 'DHPAA.GG_urine', 'method': 'xgb', 'r2': -1.6280676820928512, 'mae': 0.04098442468978586, 'mse': 0.002292176103664095, 'mape': 2.686177619855801, 'ev': 0.07939212892479319}\n", - "{'target': 'DHPAA.GS_plasm', 'method': 'xgb', 'r2': -0.33702104839105007, 'mae': 0.12409525518530236, 'mse': 0.01879962233420196, 'mape': 1.6834704915071887, 'ev': -0.045019098281009695}\n", - "{'target': 'DHPAA.GS_urine', 'method': 'xgb', 'r2': -0.582120195402102, 'mae': 0.11463462091750934, 'mse': 0.01588261777961617, 'mape': 2.4930521118966658, 'ev': 0.10608467106059594}\n", - "{'target': 'DHPAA.G_plasm', 'method': 'xgb', 'r2': -0.17437874812884124, 'mae': 0.14963738490078876, 'mse': 0.030413302386124184, 'mape': 1.4174402338933505, 'ev': -0.038111939920701055}\n", - "{'target': 'DHPAA.G_urine', 'method': 'xgb', 'r2': -0.3110795610065604, 'mae': 0.07649258167857143, 'mse': 0.007842397842156878, 'mape': 2.8391047592858234, 'ev': -0.13797442603895216}\n", - "{'target': 'DHPAA.SS_plasm', 'method': 'xgb', 'r2': 0.041936210613194524, 'mae': 0.08423891302243965, 'mse': 0.01397099971471504, 'mape': 0.7268423818680666, 'ev': 0.10267275918476171}\n", - "{'target': 'DHPAA.SS_urine', 'method': 'xgb', 'r2': -1.4802005750604104, 'mae': 0.0390771910291936, 'mse': 0.0019530828357661994, 'mape': 1.544852465373894, 'ev': 0.0026869670072747764}\n", - "{'target': 'DHPAA_plasm', 'method': 'xgb', 'r2': 0.09539909508278788, 'mae': 0.17001208628404071, 'mse': 0.047951418993369924, 'mape': 0.6908663316917435, 'ev': 0.09547404088649358}\n", - "{'target': 'DHPAA_urine', 'method': 'xgb', 'r2': 0.022644087188475215, 'mae': 0.10810136383342729, 'mse': 0.017750255765984043, 'mape': 1.941708780584872, 'ev': 0.0975427066235105}\n", - "{'target': 'E.S_plasm', 'method': 'xgb', 'r2': -0.15136015885611354, 'mae': 0.07327126544315953, 'mse': 0.008402123576487371, 'mape': 52707899148500.836, 'ev': -0.0637039362279539}\n", - "{'target': 'E.S_urine', 'method': 'xgb', 'r2': -0.12228572494247736, 'mae': 0.1258958796690776, 'mse': 0.02673852081424857, 'mape': 4.4982058536821246, 'ev': -0.025585073476205533}\n", - "{'target': 'EG.1', 'method': 'xgb', 'r2': -0.31232032210354754, 'mae': 0.046909957792599676, 'mse': 0.00324590532160404, 'mape': 12.082329008799826, 'ev': -0.05367350458462372}\n", - "{'target': 'E_plasm', 'method': 'xgb', 'r2': -0.08587104040945381, 'mae': 0.16617395794214632, 'mse': 0.04025123377137852, 'mape': 0.7549337622401247, 'ev': -0.06519898297284588}\n", - "{'target': 'E_urine', 'method': 'xgb', 'r2': -0.28343648435224944, 'mae': 0.06431116326601476, 'mse': 0.005406285695471635, 'mape': 1.4433621268203403, 'ev': 0.13429844631292764}\n", - "{'target': 'Fat', 'method': 'xgb', 'r2': 0.4969633014090933, 'mae': 4.105200464285714, 'mse': 27.60174556108705, 'mape': 0.1633218713349143, 'ev': 0.537641952039615}\n", - "{'target': 'Frec', 'method': 'xgb', 'r2': 0.07811553076937694, 'mae': 7.90654142857143, 'mse': 109.39734897304973, 'mape': 0.11469866325838482, 'ev': 0.08926765860842267}\n", - "{'target': 'HE.GG', 'method': 'xgb', 'r2': -0.025763157799978842, 'mae': 0.0650140673913043, 'mse': 0.008064274265478575, 'mape': 0.09410940463580787, 'ev': 0.029057678838211976}\n", - "{'target': 'HE.G_plasm', 'method': 'xgb', 'r2': -11.120143784492551, 'mae': 0.04407075433961764, 'mse': 0.0022559313770117895, 'mape': 62.69396841298272, 'ev': -1.881591836971873}\n", - "{'target': 'HE.G_urine', 'method': 'xgb', 'r2': -0.21699701539991167, 'mae': 0.07593335141110417, 'mse': 0.009587214343019604, 'mape': 14.99778500347389, 'ev': -0.0358807505927099}\n", - "{'target': 'HE', 'method': 'xgb', 'r2': -0.10340347402719163, 'mae': 0.06176613788209606, 'mse': 0.006228649947782238, 'mape': 0.11200472655322423, 'ev': 0.046971560801199796}\n", - "{'target': 'N.GG', 'method': 'xgb', 'r2': -0.7035552725266192, 'mae': 0.049817836421493934, 'mse': 0.003155071772274194, 'mape': 8.120449351175393, 'ev': -0.13083411594085037}\n", - "{'target': 'N.G_plasm', 'method': 'xgb', 'r2': -0.8635762803755627, 'mae': 0.05394769085596597, 'mse': 0.004031688677947073, 'mape': 1.1745304200161828, 'ev': -0.06150171469984467}\n", - "{'target': 'N.G_urine', 'method': 'xgb', 'r2': -0.5115194995228487, 'mae': 0.07202854278569093, 'mse': 0.006294908740668332, 'mape': 2.9958921367205273, 'ev': -0.03388133908157753}\n", - "{'target': 'N.S', 'method': 'xgb', 'r2': -1.7333435117739486, 'mae': 0.0855519662439332, 'mse': 0.009632199757880886, 'mape': 4.761613238287339, 'ev': -0.11169718683447871}\n", - "{'target': 'N', 'method': 'xgb', 'r2': -0.8904480404355153, 'mae': 0.0497671924272421, 'mse': 0.002965760470277383, 'mape': 2.9435262985899664, 'ev': -0.1483711516718591}\n", - "{'target': 'TFA.G_plasm', 'method': 'xgb', 'r2': -0.6087107724505363, 'mae': 0.05981422348201447, 'mse': 0.00435656726773346, 'mape': 4.406587994090711, 'ev': 0.11995979732664308}\n", - "{'target': 'TFA.G_urine', 'method': 'xgb', 'r2': -2.500985919492817, 'mae': 0.04438843557142857, 'mse': 0.0023121867113779877, 'mape': 8.810846105579015, 'ev': -0.18285154514460955}\n", - "{'target': 'TFA.S_plasm', 'method': 'xgb', 'r2': -0.9969537680605667, 'mae': 0.04557864712998499, 'mse': 0.002708992059418844, 'mape': 2.539048957044302, 'ev': 0.0579535522224045}\n", - "{'target': 'TFA.S_urine', 'method': 'xgb', 'r2': -0.3803349701302632, 'mae': 0.08610431221428573, 'mse': 0.009896593948698762, 'mape': 2.139725579602756, 'ev': 0.05817679823801625}\n", - "{'target': 'TFA.di.sulfate.1', 'method': 'xgb', 'r2': -0.18527481641036125, 'mae': 0.1377085729695034, 'mse': 0.02950128931743031, 'mape': 0.8690787690194377, 'ev': -0.07533702681737808}\n", - "{'target': 'TIFA.Sulfate.1', 'method': 'xgb', 'r2': -10.071844791595083, 'mae': 0.04026704018272931, 'mse': 0.0018890720950404671, 'mape': 1.8824224149586881, 'ev': -0.5686228401811009}\n", - "{'target': 'Total.CA_plasm', 'method': 'xgb', 'r2': -0.09811916150270328, 'mae': 0.09254177189686862, 'mse': 0.012829736146073325, 'mape': 0.4982297390601022, 'ev': -0.00452080398037813}\n", - "{'target': 'Total.CA_urine', 'method': 'xgb', 'r2': 0.0898004146200071, 'mae': 0.29722083035714286, 'mse': 0.15940334046026255, 'mape': 1.6198404403300202, 'ev': 0.09737197703083778}\n", - "{'target': 'Total.DHPAA_plasm', 'method': 'xgb', 'r2': 0.06271479726967122, 'mae': 0.15689595541493587, 'mse': 0.040790203950494465, 'mape': 0.8041375419743702, 'ev': 0.0890637684078055}\n", - "{'target': 'Total.DHPAA_urine', 'method': 'xgb', 'r2': -0.29048337680302216, 'mae': 0.07864108021428572, 'mse': 0.008311713599340013, 'mape': 1.9144450442641692, 'ev': -0.1288459157600419}\n", - "{'target': 'Total.E_urine', 'method': 'xgb', 'r2': -0.3136796590513249, 'mae': 0.04693925600670092, 'mse': 0.0032470122957502174, 'mape': 9.10107706489114, 'ev': -0.05406066410771104}\n", - "{'target': 'Total.HE', 'method': 'xgb', 'r2': -0.21853819290085075, 'mae': 0.07593597626287754, 'mse': 0.009577345099688602, 'mape': 8.302291458672158, 'ev': -0.03595902681046814}\n", - "{'target': 'Total.N', 'method': 'xgb', 'r2': -0.6149374642998431, 'mae': 0.07462631795932724, 'mse': 0.0067401070078791205, 'mape': 2.983975320114475, 'ev': -0.0362048701660278}\n", - "{'target': 'Total.TFA_plasm', 'method': 'xgb', 'r2': -1.351280491109832, 'mae': 0.04403293009051562, 'mse': 0.0025532394013129643, 'mape': 1.964917215707939, 'ev': 0.04757630583707728}\n", - "{'target': 'Total.TFA_urine', 'method': 'xgb', 'r2': -0.38143138747083616, 'mae': 0.08610870232142856, 'mse': 0.009903939732032404, 'mape': 2.048848229387316, 'ev': 0.057005946356915804}\n", - "{'target': 'Total.VA_plasm', 'method': 'xgb', 'r2': -0.17498856080297642, 'mae': 0.1182829697185311, 'mse': 0.022023006101841124, 'mape': 0.5426954229961523, 'ev': -0.05488890897036014}\n", - "{'target': 'Total.VA_urine', 'method': 'xgb', 'r2': -4.16788645926189, 'mae': 0.06049694128571429, 'mse': 0.004582483359622196, 'mape': 2.4867374067928467, 'ev': -0.3166065853455411}\n", - "{'target': 'VA.GG_plasm', 'method': 'xgb', 'r2': -0.21384898879762804, 'mae': 0.1198991775094371, 'mse': 0.02503255028361729, 'mape': 0.9240351772964767, 'ev': -0.022351484694563384}\n", - "{'target': 'VA.GG_urine', 'method': 'xgb', 'r2': -1.1231435958526221, 'mae': 0.11926670868499142, 'mse': 0.018614961960265942, 'mape': 3.7246137452691443, 'ev': -0.08595603843137734}\n", - "{'target': 'VA.GS_plasm', 'method': 'xgb', 'r2': 0.05878824319531928, 'mae': 0.2088740532599506, 'mse': 0.05593684471292221, 'mape': 0.8587913751881651, 'ev': 0.06361694435278875}\n", - "{'target': 'VA.GS_urine', 'method': 'xgb', 'r2': -1.567325387996621, 'mae': 0.08250251521627405, 'mse': 0.01044727026684183, 'mape': 2.5063343400465428, 'ev': -0.24122605095034566}\n", - "{'target': 'VA.SS_plasm', 'method': 'xgb', 'r2': -0.030251505655157995, 'mae': 0.15526861388466698, 'mse': 0.03526790773110125, 'mape': 1.0398689953035984, 'ev': 0.006493575554965214}\n", - "{'target': 'VA.SS_urine', 'method': 'xgb', 'r2': -1.1856961988133072, 'mae': 0.04338589480094263, 'mse': 0.002794393065202097, 'mape': 12.67978112705738, 'ev': -0.1465221064675466}\n", - "{'target': 'VA.S', 'method': 'xgb', 'r2': 0.04534052726931259, 'mae': 0.12700151141640342, 'mse': 0.034498275626378555, 'mape': 0.5750799870424935, 'ev': 0.04583523853095306}\n", - "{'target': 'VA_plasm', 'method': 'xgb', 'r2': -0.05183947093546348, 'mae': 0.1237412504798687, 'mse': 0.020639241336731822, 'mape': 41840502543530.44, 'ev': -0.04742604550780771}\n", - "{'target': 'VA_urine', 'method': 'xgb', 'r2': -4.042903099878379, 'mae': 0.058325396964285715, 'mse': 0.004195901299180722, 'mape': 3.870658133208527, 'ev': -0.26505047484921995}\n", - "{'target': 'Weight', 'method': 'xgb', 'r2': 0.6295352031371657, 'mae': 5.696119178571429, 'mse': 55.85202882564675, 'mape': 0.06479111053109932, 'ev': 0.6700691193773615}\n" + "ename": "FileNotFoundError", + "evalue": "[Errno 2] No such file or directory: '/home/die/Documents/repositories/modelsanoApp/results/multiple_targets/df_pred-test_multiTargetxgb_multiTargets.csv'", + "output_type": "error", + "traceback": [ + "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m", + "\u001b[0;31mFileNotFoundError\u001b[0m Traceback (most recent call last)", + "Cell \u001b[0;32mIn[4], line 4\u001b[0m\n\u001b[1;32m 1\u001b[0m \u001b[38;5;28;01mfrom\u001b[39;00m \u001b[38;5;21;01mscoring\u001b[39;00m \u001b[38;5;28;01mimport\u001b[39;00m modelMetrics\n\u001b[1;32m 2\u001b[0m \u001b[38;5;28;01mimport\u001b[39;00m \u001b[38;5;21;01mre\u001b[39;00m\n\u001b[0;32m----> 4\u001b[0m df \u001b[38;5;241m=\u001b[39m\u001b[43mpd\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mread_csv\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43m/home/die/Documents/repositories/modelsanoApp/results/multiple_targets/df_pred-test_multiTargetxgb_multiTargets.csv\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43msep\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43m \u001b[49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43m;\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mdecimal\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43m.\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m)\u001b[49m\n\u001b[1;32m 5\u001b[0m df\u001b[38;5;241m.\u001b[39mrename(columns\u001b[38;5;241m=\u001b[39m{\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mUnnamed: 0\u001b[39m\u001b[38;5;124m\"\u001b[39m:\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mnumVol\u001b[39m\u001b[38;5;124m\"\u001b[39m}, inplace\u001b[38;5;241m=\u001b[39m\u001b[38;5;28;01mTrue\u001b[39;00m)\n\u001b[1;32m 8\u001b[0m \u001b[38;5;28;01mfor\u001b[39;00m col \u001b[38;5;129;01min\u001b[39;00m df\u001b[38;5;241m.\u001b[39mcolumns[\u001b[38;5;241m1\u001b[39m:]:\n", + "File \u001b[0;32m~/eric_env/lib/python3.10/site-packages/pandas/io/parsers/readers.py:1026\u001b[0m, in \u001b[0;36mread_csv\u001b[0;34m(filepath_or_buffer, sep, delimiter, header, names, index_col, usecols, dtype, engine, converters, true_values, false_values, skipinitialspace, skiprows, skipfooter, nrows, na_values, keep_default_na, na_filter, verbose, skip_blank_lines, parse_dates, infer_datetime_format, keep_date_col, date_parser, date_format, dayfirst, cache_dates, iterator, chunksize, compression, thousands, decimal, lineterminator, quotechar, quoting, doublequote, escapechar, comment, encoding, encoding_errors, dialect, on_bad_lines, delim_whitespace, low_memory, memory_map, float_precision, storage_options, dtype_backend)\u001b[0m\n\u001b[1;32m 1013\u001b[0m kwds_defaults \u001b[38;5;241m=\u001b[39m _refine_defaults_read(\n\u001b[1;32m 1014\u001b[0m dialect,\n\u001b[1;32m 1015\u001b[0m delimiter,\n\u001b[0;32m (...)\u001b[0m\n\u001b[1;32m 1022\u001b[0m dtype_backend\u001b[38;5;241m=\u001b[39mdtype_backend,\n\u001b[1;32m 1023\u001b[0m )\n\u001b[1;32m 1024\u001b[0m kwds\u001b[38;5;241m.\u001b[39mupdate(kwds_defaults)\n\u001b[0;32m-> 1026\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[43m_read\u001b[49m\u001b[43m(\u001b[49m\u001b[43mfilepath_or_buffer\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mkwds\u001b[49m\u001b[43m)\u001b[49m\n", + "File \u001b[0;32m~/eric_env/lib/python3.10/site-packages/pandas/io/parsers/readers.py:620\u001b[0m, in \u001b[0;36m_read\u001b[0;34m(filepath_or_buffer, kwds)\u001b[0m\n\u001b[1;32m 617\u001b[0m _validate_names(kwds\u001b[38;5;241m.\u001b[39mget(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mnames\u001b[39m\u001b[38;5;124m\"\u001b[39m, \u001b[38;5;28;01mNone\u001b[39;00m))\n\u001b[1;32m 619\u001b[0m \u001b[38;5;66;03m# Create the parser.\u001b[39;00m\n\u001b[0;32m--> 620\u001b[0m parser \u001b[38;5;241m=\u001b[39m \u001b[43mTextFileReader\u001b[49m\u001b[43m(\u001b[49m\u001b[43mfilepath_or_buffer\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwds\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 622\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m chunksize \u001b[38;5;129;01mor\u001b[39;00m iterator:\n\u001b[1;32m 623\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m parser\n", + "File \u001b[0;32m~/eric_env/lib/python3.10/site-packages/pandas/io/parsers/readers.py:1620\u001b[0m, in \u001b[0;36mTextFileReader.__init__\u001b[0;34m(self, f, engine, **kwds)\u001b[0m\n\u001b[1;32m 1617\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39moptions[\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mhas_index_names\u001b[39m\u001b[38;5;124m\"\u001b[39m] \u001b[38;5;241m=\u001b[39m kwds[\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mhas_index_names\u001b[39m\u001b[38;5;124m\"\u001b[39m]\n\u001b[1;32m 1619\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mhandles: IOHandles \u001b[38;5;241m|\u001b[39m \u001b[38;5;28;01mNone\u001b[39;00m \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;01mNone\u001b[39;00m\n\u001b[0;32m-> 1620\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39m_engine \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43m_make_engine\u001b[49m\u001b[43m(\u001b[49m\u001b[43mf\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mengine\u001b[49m\u001b[43m)\u001b[49m\n", + "File \u001b[0;32m~/eric_env/lib/python3.10/site-packages/pandas/io/parsers/readers.py:1880\u001b[0m, in \u001b[0;36mTextFileReader._make_engine\u001b[0;34m(self, f, engine)\u001b[0m\n\u001b[1;32m 1878\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mb\u001b[39m\u001b[38;5;124m\"\u001b[39m \u001b[38;5;129;01mnot\u001b[39;00m \u001b[38;5;129;01min\u001b[39;00m mode:\n\u001b[1;32m 1879\u001b[0m mode \u001b[38;5;241m+\u001b[39m\u001b[38;5;241m=\u001b[39m 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Encoding\u001b[39;00m\n\u001b[0;32m--> 873\u001b[0m handle \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mopen\u001b[39;49m\u001b[43m(\u001b[49m\n\u001b[1;32m 874\u001b[0m \u001b[43m \u001b[49m\u001b[43mhandle\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 875\u001b[0m \u001b[43m \u001b[49m\u001b[43mioargs\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mmode\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 876\u001b[0m \u001b[43m \u001b[49m\u001b[43mencoding\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mioargs\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mencoding\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 877\u001b[0m \u001b[43m \u001b[49m\u001b[43merrors\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43merrors\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 878\u001b[0m \u001b[43m \u001b[49m\u001b[43mnewline\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m,\u001b[49m\n\u001b[1;32m 879\u001b[0m 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DHPAA.G_urine_post Total.DHPAA_urine_post VA.GS_plasm_post Total.VA_urine_post Total.VA_plasm_post VA_plasm_post Total.VA_plasm_post VA.GS_plasm_post VA_urine_post VA.SS_urine_post Total.VA_urine_post VA_plasm_post CA_plasm_post CA_plasm_post CA_plasm_post E_urine_post E_urine_post HE_post HE_post HE.GG_post HE.G_plasm_post HE_post Total.N_post Total.N_post N.G_urine_post N.S_post Total.N_post N.G_plasm_post N.G_urine_post N_post with method xgb_DHPAA.GS_plasm_post xgb_DHPAA_urine_post rf_Total.DHPAA_urine_post xgb_DHPAA.GS_urine_post lgbm_DHPAA.SS_urine_post rf_DHPAA.SS_urine_post xgb_DHPAA.GG_plasm_post xgb_DHPAA.G_plasm_post xgb_DHPAA.G_urine_post xgb_Total.DHPAA_urine_post rf_VA.GS_plasm_post rf_Total.VA_urine_post rf_Total.VA_plasm_post xgb_VA_plasm_post xgb_Total.VA_plasm_post xgb_VA.GS_plasm_post xgb_VA_urine_post xgb_VA.SS_urine_post xgb_Total.VA_urine_post lgbm_VA_plasm_post xgb_CA_plasm_post xgb_CA_plasm_post lgbm_CA_plasm_post rf_E_urine_post xgb_E_urine_post xgb_HE_post rf_HE_post xgb_HE.GG_post xgb_HE.G_plasm_post lgbm_HE_post xgb_Total.N_post lgbm_Total.N_post xgb_N.G_urine_post xgb_N.S_post rf_Total.N_post xgb_N.G_plasm_post lgbm_N.G_urine_post xgb_N_post\n" ] } ], "source": [ + "import pandas as pd\n", + "import numpy as np\n", + "import os\n", "def metricsComparison(directory):\n", " csv_list = []\n", " for r, d, f in os.walk(directory):\n", " for file in f:\n", - " if \"metrics_\" in file:\n", + " if \"metrics\" in file:\n", " csv_list.append(os.path.join(r,file))\n", "\n", " #print(csv_list)\n", @@ -539,25 +463,26 @@ " df = df.iloc[1:]\n", " df_list = pd.concat([df_list, df], axis = 0)\n", "\n", - "\n", + " '''\n", " df_list['method'] = df_list['method'].str.extract(r'(?=(.*?_))')\n", " df_list['method'] = df_list['method'].str.removesuffix('_')\n", " df_list['target'] = df_list[\"target\"].str.removesuffix(\"_post\")\n", " df_list.reset_index(inplace=True)\n", " df_list.drop(\"index\", axis = 1, inplace = True)\n", + " '''\n", " df_list[[\"r2\", \"mae\", \"mse\", \"mape\", \"ev\"]]= df_list[[\"r2\", \"mae\", \"mse\", \"mape\", \"ev\"]].apply(pd.to_numeric)\n", " \n", - " r2_scores = df_list[df_list[\"r2\"] > 0.5][[\"target\", \"method\"]]\n", - " print (\"The r2 scores above 0.6 are: \" + \" \".join([i for i in r2_scores[\"target\"]]) + \" with method \"+ \" \".join([i for i in r2_scores[\"method\"]]))\n", + " r2_scores = df_list[df_list[\"r2\"] > 0.9][[\"target\", \"method\"]]\n", + " print (\"The r2 scores above 0.9 are: \" + \" \".join([i for i in r2_scores[\"target\"]]) + \" with method \"+ \" \".join([i for i in r2_scores[\"method\"]]))\n", " return (df_list)\n", "\n", - "df_metrics = metricsComparison(\"../results/indResults/customStudy/\")\n", + "df_metrics = metricsComparison(\"../results/customStudy/\")\n", " " ] }, { "cell_type": "code", - "execution_count": 89, + "execution_count": 15, "id": "70de78ea", "metadata": {}, "outputs": [ @@ -581,7 +506,7 @@ "\n", " \n", " \n", - " \n", + " \n", " \n", " 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indextargetmethodr2
0EG.1rf0.0039980.0296710.0024644.4387410.023863['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DH...xgb_multiTargets0.1351660.1035220.0180891.864377e+001.417904e-01
1EG.1lgbm-0.0792020.0291940.0026693.799125-0.027215['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DH...xgb_multiTargets0.0244250.0583110.0058361.874389e+002.734540e-02
2EG.1xgb-0.0249760.0279020.0025353.7040130.021558['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DH...xgb_multiTargets-0.0279150.0286890.0010331.405316e+00-2.224380e-02
3E.S_urinelgbm0.0460990.1035710.0221963.7372860.064708['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DH...xgb_multiTargets-0.1156770.0863270.0111471.971661e+002.725677e-02
4E.S_urinerf-0.0476210.1107310.0243773.421735-0.036735['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DH...xgb_multiTargets-0.0830590.0235930.0008548.961942e-01-3.973004e-02
........................5['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DH...xgb_multiTargets0.0329950.0616610.0062281.306452e+003.492668e-02
112Total.VA_urinelgbm-0.8630610.0379460.0016521.5263030.0022740['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DH...rf_multiTargets-0.2344030.1059470.0258191.003333e+001.373900e-03
113Total.VA_urinerf-0.9060140.0382950.0016901.545610-0.0049681['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DH...rf_multiTargets-0.0733610.0670610.0064202.511417e+002.033739e-03
114VA.GG_urinelgbm-0.3876690.0831100.0115313.184292-0.0465772['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DH...rf_multiTargets-2.5057190.0512420.0035233.287015e+00-4.746235e-04
115VA.GG_urinerf-0.5252510.0878720.0126743.345862-0.1410893['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DH...rf_multiTargets-0.1047420.0721300.0110381.071096e+001.851576e-03
116VA.GG_urinexgb-1.1804310.1041080.0181183.585176-0.6605094['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DH...rf_multiTargets-2.3110210.0462860.0026101.796087e+002.922191e-03
5['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DH...rf_multiTargets-0.0069270.0639200.0064851.423365e+002.132505e-03
0['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_u...xgb_multiTargets-5.5589490.0545290.0054573.140539e+00-3.508463e+00
1['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_u...xgb_multiTargets-1.6712810.1226580.0233053.971019e+00-8.779273e-01
2['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_u...xgb_multiTargets-0.6801980.0710260.0069831.989392e+00-8.241842e-03
3['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_u...xgb_multiTargets-0.0407490.0329810.0014016.069402e+00-4.019994e-02
4['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_u...xgb_multiTargets-5.7422980.0572240.0059792.071347e+00-3.480999e+00
0['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_u...rf_multiTargets-4.5272100.0628630.0045994.085442e+001.341290e-03
1['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_u...rf_multiTargets-0.0380470.0699240.0090561.738283e+00-1.897628e-03
2['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_u...rf_multiTargets-0.0977240.0580210.0045621.176852e+003.835290e-03
3['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_u...rf_multiTargets-1.7267600.0512450.0036711.578933e+011.138672e-03
4['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_u...rf_multiTargets-3.0914700.0547800.0036282.262470e+001.785618e-03
0['CA_plasm_post', 'CA_urine_post']xgb_multiTargets-0.0779270.1432920.0300555.077952e-01-5.476925e-02
1['CA_plasm_post', 'CA_urine_post']xgb_multiTargets-0.5528250.0245710.0011151.855595e+00-1.886892e-01
0['CA_plasm_post', 'CA_urine_post']rf_multiTargets-0.8707120.1758430.0521594.207001e-013.583767e-03
1['CA_plasm_post', 'CA_urine_post']rf_multiTargets-42.1220620.1738980.0309561.184584e+012.928333e-03
0['E_urine_post', 'E.S_urine_post', 'E_plasm_po...xgb_multiTargets-0.1604060.0545560.0048981.062853e+00-1.403631e-01
1['E_urine_post', 'E.S_urine_post', 'E_plasm_po...xgb_multiTargets0.0664450.1450950.0447783.880180e+006.656395e-02
2['E_urine_post', 'E.S_urine_post', 'E_plasm_po...xgb_multiTargets-0.2314700.1777870.0464327.690354e-01-2.314697e-01
3['E_urine_post', 'E.S_urine_post', 'E_plasm_po...xgb_multiTargets-0.0580370.1081310.0340456.545438e+13-5.128110e-02
4['E_urine_post', 'E.S_urine_post', 'E_plasm_po...xgb_multiTargets-0.0752080.0358220.0026597.283955e+00-5.535392e-02
0['E_urine_post', 'E.S_urine_post', 'E_plasm_po...rf_multiTargets-0.8044870.0746360.0076171.735765e+00-2.220446e-16
1['E_urine_post', 'E.S_urine_post', 'E_plasm_po...rf_multiTargets-0.0056850.1351710.0482383.715046e+000.000000e+00
2['E_urine_post', 'E.S_urine_post', 'E_plasm_po...rf_multiTargets-1.2832720.2353740.0860905.503463e-010.000000e+00
3['E_urine_post', 'E.S_urine_post', 'E_plasm_po...rf_multiTargets-0.0027090.1029770.0322654.894531e+130.000000e+00
4['E_urine_post', 'E.S_urine_post', 'E_plasm_po...rf_multiTargets-5.4273650.1217190.0158982.963114e+010.000000e+00
0['HE.G_plasm_post', 'HE_post', 'HE.G_urine_pos...xgb_multiTargets-6.0140130.0197780.0012951.832540e+01-5.941073e+00
1['HE.G_plasm_post', 'HE_post', 'HE.G_urine_pos...xgb_multiTargets-0.2008870.0632210.0067791.065580e-01-1.538060e-01
2['HE.G_plasm_post', 'HE_post', 'HE.G_urine_pos...xgb_multiTargets-0.3415280.0693900.0105681.204878e+01-2.937330e-01
3['HE.G_plasm_post', 'HE_post', 'HE.G_urine_pos...xgb_multiTargets-0.4358470.0827310.0112881.108836e-01-2.765341e-01
4['HE.G_plasm_post', 'HE_post', 'HE.G_urine_pos...xgb_multiTargets-0.3427570.0693910.0105546.589228e+00-2.942837e-01
0['HE.G_plasm_post', 'HE_post', 'HE.G_urine_pos...rf_multiTargets-460.6411220.2916410.0852393.799486e+027.771561e-16
1['HE.G_plasm_post', 'HE_post', 'HE.G_urine_pos...rf_multiTargets-16.8396950.3083170.1007044.938553e-010.000000e+00
2['HE.G_plasm_post', 'HE_post', 'HE.G_urine_pos...rf_multiTargets-8.1129660.2631670.0717905.128877e+012.220446e-16
3['HE.G_plasm_post', 'HE_post', 'HE.G_urine_pos...rf_multiTargets-28.6588520.4746660.2331706.009235e-012.220446e-16
4['HE.G_plasm_post', 'HE_post', 'HE.G_urine_pos...rf_multiTargets-8.0264920.2616250.0709463.002604e+010.000000e+00
0['N.G_plasm_post', 'N_post', 'N.G_urine_post',...xgb_multiTargets-0.1348420.0338430.0025326.447814e-01-1.220738e-01
1['N.G_plasm_post', 'N_post', 'N.G_urine_post',...xgb_multiTargets-0.0678150.0323830.0016561.741145e+002.008729e-02
2['N.G_plasm_post', 'N_post', 'N.G_urine_post',...xgb_multiTargets0.0624680.0503710.0039151.879043e+006.571241e-02
3['N.G_plasm_post', 'N_post', 'N.G_urine_post',...xgb_multiTargets-0.0821790.0344630.0019895.092242e+001.319589e-02
4['N.G_plasm_post', 'N_post', 'N.G_urine_post',...xgb_multiTargets-0.4950480.0594860.0052683.110684e+00-1.114907e-01
5['N.G_plasm_post', 'N_post', 'N.G_urine_post',...xgb_multiTargets0.0427380.0508970.0039951.803500e+005.245472e-02
0['N.G_plasm_post', 'N_post', 'N.G_urine_post',...rf_multiTargets-0.0007300.0303480.0022335.667261e-01-2.401886e-04
1['N.G_plasm_post', 'N_post', 'N.G_urine_post',...rf_multiTargets-0.5216300.0445360.0023602.567726e+00-1.193595e-04
2['N.G_plasm_post', 'N_post', 'N.G_urine_post',...rf_multiTargets-0.0173590.0495740.0042481.582108e+001.835124e-03
3['N.G_plasm_post', 'N_post', 'N.G_urine_post',...rf_multiTargets-0.8034440.0543520.0033158.735125e+003.965894e-04
4['N.G_plasm_post', 'N_post', 'N.G_urine_post',...rf_multiTargets-0.0083290.0465260.0035532.068722e+002.372864e-04
5['N.G_plasm_post', 'N_post', 'N.G_urine_post',...rf_multiTargets-0.0212200.0488920.0042621.422812e+001.681294e-03
\n", - "

117 rows × 7 columns

\n", "" ], "text/plain": [ - "index target method r2 mae mse mape ev\n", - "0 EG.1 rf 0.003998 0.029671 0.002464 4.438741 0.023863\n", - "1 EG.1 lgbm -0.079202 0.029194 0.002669 3.799125 -0.027215\n", - "2 EG.1 xgb -0.024976 0.027902 0.002535 3.704013 0.021558\n", - "3 E.S_urine lgbm 0.046099 0.103571 0.022196 3.737286 0.064708\n", - "4 E.S_urine rf -0.047621 0.110731 0.024377 3.421735 -0.036735\n", - ".. ... ... ... ... ... ... ...\n", - "112 Total.VA_urine lgbm -0.863061 0.037946 0.001652 1.526303 0.002274\n", - "113 Total.VA_urine rf -0.906014 0.038295 0.001690 1.545610 -0.004968\n", - "114 VA.GG_urine lgbm -0.387669 0.083110 0.011531 3.184292 -0.046577\n", - "115 VA.GG_urine rf -0.525251 0.087872 0.012674 3.345862 -0.141089\n", - "116 VA.GG_urine xgb -1.180431 0.104108 0.018118 3.585176 -0.660509\n", + " target method \\\n", + "0 ['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DH... xgb_multiTargets \n", + "1 ['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DH... xgb_multiTargets \n", + "2 ['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DH... xgb_multiTargets \n", + "3 ['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DH... xgb_multiTargets \n", + "4 ['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DH... xgb_multiTargets \n", + "5 ['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DH... xgb_multiTargets \n", + "0 ['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DH... rf_multiTargets \n", + "1 ['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DH... rf_multiTargets \n", + "2 ['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DH... rf_multiTargets \n", + "3 ['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DH... rf_multiTargets \n", + "4 ['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DH... rf_multiTargets \n", + "5 ['DHPAA_urine_post', 'DHPAA.G_urine_post', 'DH... rf_multiTargets \n", + "0 ['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_u... xgb_multiTargets \n", + "1 ['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_u... xgb_multiTargets \n", + "2 ['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_u... xgb_multiTargets \n", + "3 ['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_u... xgb_multiTargets \n", + "4 ['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_u... xgb_multiTargets \n", + "0 ['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_u... rf_multiTargets \n", + "1 ['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_u... rf_multiTargets \n", + "2 ['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_u... rf_multiTargets \n", + "3 ['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_u... rf_multiTargets \n", + "4 ['VA_urine_post', 'VA.GG_urine_post', 'VA.GS_u... rf_multiTargets \n", + "0 ['CA_plasm_post', 'CA_urine_post'] xgb_multiTargets \n", + "1 ['CA_plasm_post', 'CA_urine_post'] xgb_multiTargets \n", + "0 ['CA_plasm_post', 'CA_urine_post'] rf_multiTargets \n", + "1 ['CA_plasm_post', 'CA_urine_post'] rf_multiTargets \n", + "0 ['E_urine_post', 'E.S_urine_post', 'E_plasm_po... xgb_multiTargets \n", + "1 ['E_urine_post', 'E.S_urine_post', 'E_plasm_po... xgb_multiTargets \n", + "2 ['E_urine_post', 'E.S_urine_post', 'E_plasm_po... xgb_multiTargets \n", + "3 ['E_urine_post', 'E.S_urine_post', 'E_plasm_po... xgb_multiTargets \n", + "4 ['E_urine_post', 'E.S_urine_post', 'E_plasm_po... xgb_multiTargets \n", + "0 ['E_urine_post', 'E.S_urine_post', 'E_plasm_po... rf_multiTargets \n", + "1 ['E_urine_post', 'E.S_urine_post', 'E_plasm_po... rf_multiTargets \n", + "2 ['E_urine_post', 'E.S_urine_post', 'E_plasm_po... rf_multiTargets \n", + "3 ['E_urine_post', 'E.S_urine_post', 'E_plasm_po... rf_multiTargets \n", + "4 ['E_urine_post', 'E.S_urine_post', 'E_plasm_po... rf_multiTargets \n", + "0 ['HE.G_plasm_post', 'HE_post', 'HE.G_urine_pos... xgb_multiTargets \n", + "1 ['HE.G_plasm_post', 'HE_post', 'HE.G_urine_pos... xgb_multiTargets \n", + "2 ['HE.G_plasm_post', 'HE_post', 'HE.G_urine_pos... xgb_multiTargets \n", + "3 ['HE.G_plasm_post', 'HE_post', 'HE.G_urine_pos... xgb_multiTargets \n", + "4 ['HE.G_plasm_post', 'HE_post', 'HE.G_urine_pos... xgb_multiTargets \n", + "0 ['HE.G_plasm_post', 'HE_post', 'HE.G_urine_pos... rf_multiTargets \n", + "1 ['HE.G_plasm_post', 'HE_post', 'HE.G_urine_pos... rf_multiTargets \n", + "2 ['HE.G_plasm_post', 'HE_post', 'HE.G_urine_pos... rf_multiTargets \n", + "3 ['HE.G_plasm_post', 'HE_post', 'HE.G_urine_pos... rf_multiTargets \n", + "4 ['HE.G_plasm_post', 'HE_post', 'HE.G_urine_pos... rf_multiTargets \n", + "0 ['N.G_plasm_post', 'N_post', 'N.G_urine_post',... xgb_multiTargets \n", + "1 ['N.G_plasm_post', 'N_post', 'N.G_urine_post',... xgb_multiTargets \n", + "2 ['N.G_plasm_post', 'N_post', 'N.G_urine_post',... xgb_multiTargets \n", + "3 ['N.G_plasm_post', 'N_post', 'N.G_urine_post',... xgb_multiTargets \n", + "4 ['N.G_plasm_post', 'N_post', 'N.G_urine_post',... xgb_multiTargets \n", + "5 ['N.G_plasm_post', 'N_post', 'N.G_urine_post',... xgb_multiTargets \n", + "0 ['N.G_plasm_post', 'N_post', 'N.G_urine_post',... rf_multiTargets \n", + "1 ['N.G_plasm_post', 'N_post', 'N.G_urine_post',... rf_multiTargets \n", + "2 ['N.G_plasm_post', 'N_post', 'N.G_urine_post',... rf_multiTargets \n", + "3 ['N.G_plasm_post', 'N_post', 'N.G_urine_post',... rf_multiTargets \n", + "4 ['N.G_plasm_post', 'N_post', 'N.G_urine_post',... rf_multiTargets \n", + "5 ['N.G_plasm_post', 'N_post', 'N.G_urine_post',... rf_multiTargets \n", "\n", - "[117 rows x 7 columns]" + " r2 mae mse mape ev \n", + "0 0.135166 0.103522 0.018089 1.864377e+00 1.417904e-01 \n", + "1 0.024425 0.058311 0.005836 1.874389e+00 2.734540e-02 \n", + "2 -0.027915 0.028689 0.001033 1.405316e+00 -2.224380e-02 \n", + "3 -0.115677 0.086327 0.011147 1.971661e+00 2.725677e-02 \n", + "4 -0.083059 0.023593 0.000854 8.961942e-01 -3.973004e-02 \n", + "5 0.032995 0.061661 0.006228 1.306452e+00 3.492668e-02 \n", + "0 -0.234403 0.105947 0.025819 1.003333e+00 1.373900e-03 \n", + "1 -0.073361 0.067061 0.006420 2.511417e+00 2.033739e-03 \n", + "2 -2.505719 0.051242 0.003523 3.287015e+00 -4.746235e-04 \n", + "3 -0.104742 0.072130 0.011038 1.071096e+00 1.851576e-03 \n", + "4 -2.311021 0.046286 0.002610 1.796087e+00 2.922191e-03 \n", + "5 -0.006927 0.063920 0.006485 1.423365e+00 2.132505e-03 \n", + "0 -5.558949 0.054529 0.005457 3.140539e+00 -3.508463e+00 \n", + "1 -1.671281 0.122658 0.023305 3.971019e+00 -8.779273e-01 \n", + "2 -0.680198 0.071026 0.006983 1.989392e+00 -8.241842e-03 \n", + "3 -0.040749 0.032981 0.001401 6.069402e+00 -4.019994e-02 \n", + "4 -5.742298 0.057224 0.005979 2.071347e+00 -3.480999e+00 \n", + "0 -4.527210 0.062863 0.004599 4.085442e+00 1.341290e-03 \n", + "1 -0.038047 0.069924 0.009056 1.738283e+00 -1.897628e-03 \n", + "2 -0.097724 0.058021 0.004562 1.176852e+00 3.835290e-03 \n", + "3 -1.726760 0.051245 0.003671 1.578933e+01 1.138672e-03 \n", + "4 -3.091470 0.054780 0.003628 2.262470e+00 1.785618e-03 \n", + "0 -0.077927 0.143292 0.030055 5.077952e-01 -5.476925e-02 \n", + "1 -0.552825 0.024571 0.001115 1.855595e+00 -1.886892e-01 \n", + "0 -0.870712 0.175843 0.052159 4.207001e-01 3.583767e-03 \n", + "1 -42.122062 0.173898 0.030956 1.184584e+01 2.928333e-03 \n", + "0 -0.160406 0.054556 0.004898 1.062853e+00 -1.403631e-01 \n", + "1 0.066445 0.145095 0.044778 3.880180e+00 6.656395e-02 \n", + "2 -0.231470 0.177787 0.046432 7.690354e-01 -2.314697e-01 \n", + "3 -0.058037 0.108131 0.034045 6.545438e+13 -5.128110e-02 \n", + "4 -0.075208 0.035822 0.002659 7.283955e+00 -5.535392e-02 \n", + "0 -0.804487 0.074636 0.007617 1.735765e+00 -2.220446e-16 \n", + "1 -0.005685 0.135171 0.048238 3.715046e+00 0.000000e+00 \n", + "2 -1.283272 0.235374 0.086090 5.503463e-01 0.000000e+00 \n", + "3 -0.002709 0.102977 0.032265 4.894531e+13 0.000000e+00 \n", + "4 -5.427365 0.121719 0.015898 2.963114e+01 0.000000e+00 \n", + "0 -6.014013 0.019778 0.001295 1.832540e+01 -5.941073e+00 \n", + "1 -0.200887 0.063221 0.006779 1.065580e-01 -1.538060e-01 \n", + "2 -0.341528 0.069390 0.010568 1.204878e+01 -2.937330e-01 \n", + "3 -0.435847 0.082731 0.011288 1.108836e-01 -2.765341e-01 \n", + "4 -0.342757 0.069391 0.010554 6.589228e+00 -2.942837e-01 \n", + "0 -460.641122 0.291641 0.085239 3.799486e+02 7.771561e-16 \n", + "1 -16.839695 0.308317 0.100704 4.938553e-01 0.000000e+00 \n", + "2 -8.112966 0.263167 0.071790 5.128877e+01 2.220446e-16 \n", + "3 -28.658852 0.474666 0.233170 6.009235e-01 2.220446e-16 \n", + "4 -8.026492 0.261625 0.070946 3.002604e+01 0.000000e+00 \n", + "0 -0.134842 0.033843 0.002532 6.447814e-01 -1.220738e-01 \n", + "1 -0.067815 0.032383 0.001656 1.741145e+00 2.008729e-02 \n", + "2 0.062468 0.050371 0.003915 1.879043e+00 6.571241e-02 \n", + "3 -0.082179 0.034463 0.001989 5.092242e+00 1.319589e-02 \n", + "4 -0.495048 0.059486 0.005268 3.110684e+00 -1.114907e-01 \n", + "5 0.042738 0.050897 0.003995 1.803500e+00 5.245472e-02 \n", + "0 -0.000730 0.030348 0.002233 5.667261e-01 -2.401886e-04 \n", + "1 -0.521630 0.044536 0.002360 2.567726e+00 -1.193595e-04 \n", + "2 -0.017359 0.049574 0.004248 1.582108e+00 1.835124e-03 \n", + "3 -0.803444 0.054352 0.003315 8.735125e+00 3.965894e-04 \n", + "4 -0.008329 0.046526 0.003553 2.068722e+00 2.372864e-04 \n", + "5 -0.021220 0.048892 0.004262 1.422812e+00 1.681294e-03 " ] }, - "execution_count": 89, + "execution_count": 15, "metadata": {}, "output_type": "execute_result" } @@ -750,7 +1249,7 @@ "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", - "version": "3.11.2" + "version": "3.10.12" } }, "nbformat": 4, diff --git a/scripts/scoring.py b/scripts/scoring.py index 847dbc5..56f997a 100644 --- a/scripts/scoring.py +++ b/scripts/scoring.py @@ -40,11 +40,13 @@ def modelMetrics (target, method, y_true, y_pred, multiple = False): if multiple: result_metrics_list = [] for target_multi in target: - r2 = r2_score(y_true, y_pred) - mae = mean_absolute_error(y_true, y_pred) - mse = mean_squared_error(y_true, y_pred) - mape = mean_absolute_percentage_error(y_true, y_pred) - ev = explained_variance_score(y_true, y_pred) + y_pred_target = y_pred[target_multi] + y_true_target = y_true[target_multi] + r2 = r2_score(y_true_target, y_pred_target) + mae = mean_absolute_error(y_true_target, y_pred_target) + mse = mean_squared_error(y_true_target, y_pred_target) + mape = mean_absolute_percentage_error(y_true_target, y_pred_target) + ev = explained_variance_score(y_true_target, y_pred_target) result_metrics = {"target":target, "method":method, "r2":r2, "mae":mae, "mse":mse, "mape":mape, "ev":ev} result_metrics_list.append(result_metrics) result_metrics = pd.DataFrame.from_dict(result_metrics_list) diff --git a/scripts/utils.py b/scripts/utils.py index 470020a..0eb0649 100644 --- a/scripts/utils.py +++ b/scripts/utils.py @@ -1,25 +1,36 @@ import pandas as pd -import re -import os +import numpy as np from sklearn.experimental import enable_iterative_imputer from sklearn.impute import IterativeImputer from xgboost import XGBRegressor from sklearn.model_selection import train_test_split def preproc (df, features, targets): + + if type(targets) == str: + featplustargets = features + featplustargets.append(targets) + print(featplustargets) + else: + featplustargets = features+targets + + to_imput = df[df[featplustargets].select_dtypes(include=np.number).columns] + not_imput = df.columns.drop(df[featplustargets].select_dtypes(include=np.number).columns) iimp = IterativeImputer( estimator = XGBRegressor(), random_state = 42, verbose = 0, ) + iimp.set_output(transform="pandas") - - targets_imp= iimp.fit_transform(pd.DataFrame(df[targets])) - + + df_imp = iimp.fit_transform(to_imput) + df_imp[not_imput] = df[not_imput] + X_train, X_test, y_train, y_test = train_test_split( df[features], - targets_imp, + df_imp[targets], train_size = 0.8, random_state = 42, shuffle = True