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2026_Article_RESILINK_ML
Commit 89d36c70 by Joaquín Irazábal González
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Add surrogate selection summary CSV files and update manuscript with results

- Created `surrogate_selection_summary_by_variable_type.csv` and `surrogate_selection_summary_by_variable_type_wide.csv` to summarize model performance across different variable types and window groups. - Updated the manuscript to include new figures and tables reflecting the results of the surrogate model comparisons, including predictive performance and optimization results. - Adjusted figure placements to improve layout and readability. - Enhanced discussions on the effectiveness of supervised ML models versus RBF interpolation in the context of surrogate-assisted optimization.
parent be252f0a
Showing with 1110 additions and 70 deletions
Code/models/width_optimization/2W_ml_models_per_output_models_B29_H30_it0_cv_detailed_per_output_B29_H30.csv 0 → 100644
output,model,cv_rmse,std_rmse,cv_rmse_dispersion,cv_mae,cv_r2,BEST_PARAMS,fit_time_sec,gpr_kernel
exymax_tw1,SVR,0.004061647396259379,0.00242300813481289,0.5965579722760738,0.004061647396259379,,"{""svr__C"": 9561.792183843145, ""svr__epsilon"": 0.0003108623718211416, ""svr__gamma"": 0.00010040004983034561}",17.54,
exymax_tw1,FlexibleMLP,0.005571216562187513,0.003812465998428609,0.6843148091395789,0.005571216562187513,,"{""mlp__activation"": ""tanh"", ""mlp__alpha"": 3.278043287004692e-05, ""mlp__learning_rate_init"": 0.001570703295827246, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 298}",162.65,
exymax_tw1,GradientBoosting,0.0073528745111824095,0.006233050109900674,0.8477025006235749,0.0073528745111824095,,"{""learning_rate"": 0.07999999999999999, ""max_depth"": 1, ""max_features"": 0.971125246014092, ""n_estimators"": 1013, ""subsample"": 0.7139567346576897}",33.42,
exymax_tw1,GaussianProcess,0.007876521279568942,0.004346524198479995,0.5518329785706955,0.007876521279568942,,"{""gpr__amplitude"": 100.0, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.6377456535597703, ""gpr__n_restarts_optimizer"": 1, ""gpr__noise"": 9.489819784743017e-12, ""gpr__rq_alpha"": 0.36165095086180327}",34.15,"2.23**2 * Matern(length_scale=4.84, nu=1.5) + WhiteKernel(noise_level=9.49e-12)"
exymax_tw1,RandomForest,0.012349746678461733,0.004361825360485833,0.3531914843316556,0.012349746678461733,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 217}",34.44,
exymax_tw1,XGBoost,0.012719780605179072,0.007866125346820437,0.6184167471896184,0.012719780605179072,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.01, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 1200, ""subsample"": 0.7}",23.32,
exymax_tw2,SVR,0.0038124872313874763,0.003340839390048544,0.8762886764692756,0.0038124872313874763,,"{""svr__C"": 9978.136366417832, ""svr__epsilon"": 0.00033424143012809605, ""svr__gamma"": 0.001381610799038026}",17.31,
exymax_tw2,GaussianProcess,0.00411721019435559,0.003968373433341647,0.9638500941200456,0.00411721019435559,,"{""gpr__amplitude"": 0.01745144512080451, ""gpr__kernel_type"": ""RBF"", ""gpr__length_scale"": 0.48474716099273013, ""gpr__n_restarts_optimizer"": 6, ""gpr__noise"": 1.990294785454531e-12, ""gpr__rq_alpha"": 14.396225639189552}",32.4,2.6**2 * RBF(length_scale=3.89) + WhiteKernel(noise_level=1.99e-12)
exymax_tw2,FlexibleMLP,0.0055091952924174155,0.004769524504816916,0.8657388695916179,0.0055091952924174155,,"{""mlp__activation"": ""tanh"", ""mlp__alpha"": 1e-05, ""mlp__learning_rate_init"": 0.0004153494678254136, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 512}",209.43,
exymax_tw2,GradientBoosting,0.011707831856408241,0.011471790090814105,0.9798389856901695,0.011707831856408241,,"{""learning_rate"": 0.04631463751979753, ""max_depth"": 1, ""max_features"": 0.9620112633855968, ""n_estimators"": 1126, ""subsample"": 0.7655177807199793}",31.41,
exymax_tw2,RandomForest,0.014368855743601206,0.011847255148081014,0.8245092970160048,0.014368855743601206,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 200}",38.05,
exymax_tw2,XGBoost,0.014855466958791017,0.009169871468427567,0.6172725161628874,0.014855466958791017,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.01, ""max_depth"": 1, ""min_child_weight"": 3, ""n_estimators"": 782, ""subsample"": 0.7}",26.59,
tfmmax_frame,SVR,1.8473828812332656,1.8543467263702917,1.0037695732745868,1.8473828812332656,,"{""svr__C"": 2619.206360822925, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.008488619625011348}",19.44,
tfmmax_frame,GaussianProcess,2.677908229833566,2.259126440914181,0.8436160790523383,2.677908229833566,,"{""gpr__amplitude"": 15.783879853890564, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.2778531518898433, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 1.7014397704982245e-05, ""gpr__rq_alpha"": 7.38115974661544}",32.29,"2.82**2 * Matern(length_scale=6.88, nu=1.5) + WhiteKernel(noise_level=1.7e-05)"
tfmmax_frame,GradientBoosting,3.1449430403648044,2.5970563426620688,0.8257880379165207,3.1449430403648044,,"{""learning_rate"": 0.07901288854741141, ""max_depth"": 1, ""max_features"": 0.9043798942310827, ""n_estimators"": 1368, ""subsample"": 0.7891742230083864}",36.02,
tfmmax_frame,XGBoost,5.7461626373291015,4.399980671230776,0.7657250497309191,5.7461626373291015,,"{""colsample_bytree"": 0.7887391540243318, ""learning_rate"": 0.01, ""max_depth"": 1, ""min_child_weight"": 3, ""n_estimators"": 1175, ""subsample"": 0.7}",24.73,
tfmmax_frame,RandomForest,6.650267066145972,4.655061953713272,0.6999812048767868,6.650267066145972,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 800}",39.2,
tfmmax_frame,FlexibleMLP,7.551392118131586,7.5526958607485355,1.000172649307115,7.551392118131586,,"{""mlp__activation"": ""tanh"", ""mlp__alpha"": 0.01, ""mlp__learning_rate_init"": 0.0001, ""mlp__n_layers"": 3, ""mlp__n_neurons"": 502}",2458.03,
tfmmax_tw1,SVR,5.76420278175457,7.84041278534167,1.3601903129013655,5.76420278175457,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.01599115973912198}",17.62,
tfmmax_tw1,FlexibleMLP,8.30516696377768,5.34347989931817,0.6433922307189403,8.30516696377768,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.004356255540694861, ""mlp__learning_rate_init"": 0.005440491666387846, ""mlp__n_layers"": 2, ""mlp__n_neurons"": 364}",142.88,
tfmmax_tw1,GradientBoosting,14.037351115199302,14.327828368857423,1.0206931671990167,14.037351115199302,,"{""learning_rate"": 0.0680543874152698, ""max_depth"": 1, ""max_features"": 0.7103120195166182, ""n_estimators"": 1500, ""subsample"": 0.7}",41.08,
tfmmax_tw1,GaussianProcess,14.579264561521235,11.004017114326576,0.7547717560026492,14.579264561521235,,"{""gpr__amplitude"": 100.0, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.3014302820144033, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 6.791609124669547e-05, ""gpr__rq_alpha"": 1.1811151895437066}",35.87,"2.03**2 * Matern(length_scale=4.35, nu=1.5) + WhiteKernel(noise_level=3.7e-09)"
tfmmax_tw1,XGBoost,26.66287326660156,17.10121411033928,0.6413867680105054,26.66287326660156,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.04920876654372351, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 200, ""subsample"": 0.7}",27.04,
tfmmax_tw1,RandomForest,27.63103577794101,10.109773859992078,0.36588472257211313,27.63103577794101,,"{""max_depth"": 3, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 3, ""n_estimators"": 389}",43.93,
tfmmax_tw2,SVR,8.5556547519197,5.490513935936841,0.641740941534006,8.5556547519197,,"{""svr__C"": 7123.257292646505, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.012177597403964988}",20.86,
tfmmax_tw2,FlexibleMLP,10.410474638254907,7.194404117616944,0.6910735934344423,10.410474638254907,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.01, ""mlp__learning_rate_init"": 0.009999866980900942, ""mlp__n_layers"": 2, ""mlp__n_neurons"": 410}",225.34,
tfmmax_tw2,GradientBoosting,12.412813395497732,9.644252530649691,0.7769594388769084,12.412813395497732,,"{""learning_rate"": 0.0152095788809544, ""max_depth"": 1, ""max_features"": 1.0, ""n_estimators"": 1500, ""subsample"": 0.7799913032638333}",37.26,
tfmmax_tw2,GaussianProcess,12.8960010364433,12.020235809862935,0.9320901708905337,12.8960010364433,,"{""gpr__amplitude"": 64.11805807786253, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 0.8700053838385312, ""gpr__n_restarts_optimizer"": 10, ""gpr__noise"": 0.0001, ""gpr__rq_alpha"": 89.63083374201149}",35.91,"2.88**2 * Matern(length_scale=7.29, nu=1.5) + WhiteKernel(noise_level=0.01)"
tfmmax_tw2,RandomForest,20.37966172767856,17.52666810815926,0.8600078029928967,20.37966172767856,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 3, ""n_estimators"": 200}",40.3,
tfmmax_tw2,XGBoost,24.740090702819828,14.52448238931494,0.5870828269703744,24.740090702819828,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.01, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 1200, ""subsample"": 0.7}",24.8,
Code/models/width_optimization/2W_ml_models_per_output_models_B29_H30_it1_cv_detailed_per_output_B29_H30.csv 0 → 100644
output,model,cv_rmse,std_rmse,cv_rmse_dispersion,cv_mae,cv_r2,BEST_PARAMS,fit_time_sec,gpr_kernel
exymax_tw1,SVR,0.0024756253409925536,0.003162723363436417,1.2775452371837432,0.0024756253409925536,,"{""svr__C"": 1776.5766649807683, ""svr__epsilon"": 0.00032780432870046914, ""svr__gamma"": 0.006225026900894044}",16.06,
exymax_tw1,GaussianProcess,0.003544749506220166,0.00339206480908583,0.9569265199511527,0.003544749506220166,,"{""gpr__amplitude"": 74.13954798652198, ""gpr__kernel_type"": ""Matern52"", ""gpr__length_scale"": 1.845551297039509, ""gpr__n_restarts_optimizer"": 1, ""gpr__noise"": 4.912618463633794e-12, ""gpr__rq_alpha"": 0.05514509165905166}",29.56,"2.95**2 * Matern(length_scale=4.58, nu=2.5) + WhiteKernel(noise_level=4.91e-12)"
exymax_tw1,FlexibleMLP,0.004354007132602834,0.0029001392846239988,0.6660851019070999,0.004354007132602834,,"{""mlp__activation"": ""tanh"", ""mlp__alpha"": 3.278043287004692e-05, ""mlp__learning_rate_init"": 0.001570703295827246, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 298}",231.81,
exymax_tw1,GradientBoosting,0.007005089494731147,0.005181425608557407,0.7396658690020446,0.007005089494731147,,"{""learning_rate"": 0.01, ""max_depth"": 1, ""max_features"": 1.0, ""n_estimators"": 1197, ""subsample"": 0.7}",29.94,
exymax_tw1,XGBoost,0.01026511863275899,0.007655666115322084,0.7457942172134883,0.01026511863275899,,"{""colsample_bytree"": 0.8548914165297054, ""learning_rate"": 0.2, ""max_depth"": 4, ""min_child_weight"": 4, ""n_estimators"": 1021, ""subsample"": 0.7398023228939841}",24.87,
exymax_tw1,RandomForest,0.013433152778697579,0.007877314928573092,0.5864084968247374,0.013433152778697579,,"{""max_depth"": 4, ""max_features"": 0.506420824114914, ""min_samples_leaf"": 2, ""min_samples_split"": 3, ""n_estimators"": 302}",43.26,
exymax_tw2,GaussianProcess,0.0011086563042916073,0.0015044652951971592,1.3570168584920104,0.0011086563042916073,,"{""gpr__amplitude"": 1.1678028847340653, ""gpr__kernel_type"": ""RBF"", ""gpr__length_scale"": 56.93148314584267, ""gpr__n_restarts_optimizer"": 10, ""gpr__noise"": 1.1169777362871868e-11, ""gpr__rq_alpha"": 0.1573413368158819}",28.01,3.47**2 * RBF(length_scale=4.76) + WhiteKernel(noise_level=2.91e-12)
exymax_tw2,SVR,0.001835044976721644,0.0015670942703104398,0.8539813956549963,0.001835044976721644,,"{""svr__C"": 1163.9595637448144, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.00517350174828139}",17.56,
exymax_tw2,FlexibleMLP,0.007043272559668965,0.004169776509759758,0.5920225966600585,0.007043272559668965,,"{""mlp__activation"": ""tanh"", ""mlp__alpha"": 0.0015685758942019072, ""mlp__learning_rate_init"": 0.0006323708860074323, ""mlp__n_layers"": 1, ""mlp__n_neurons"": 508}",195.69,
exymax_tw2,GradientBoosting,0.011043108784279058,0.010722066983689561,0.9709283131352893,0.011043108784279058,,"{""learning_rate"": 0.023619267887061358, ""max_depth"": 1, ""max_features"": 0.9644651085727028, ""n_estimators"": 1500, ""subsample"": 0.9}",34.49,
exymax_tw2,XGBoost,0.013884196640337838,0.006516852773533836,0.46937197321164303,0.013884196640337838,,"{""colsample_bytree"": 0.7, ""learning_rate"": 0.2, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 200, ""subsample"": 0.7}",21.45,
exymax_tw2,RandomForest,0.014437022668518516,0.007424862284508211,0.5142931790707044,0.014437022668518516,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 3, ""n_estimators"": 200}",34.91,
tfmmax_frame,SVR,2.0080189686021916,1.834503145292003,0.9135885536823514,2.0080189686021916,,"{""svr__C"": 776.8578433766332, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.012846134106856165}",20.4,
tfmmax_frame,GradientBoosting,3.2496602362879483,2.3154490851486,0.7125203611419735,3.2496602362879483,,"{""learning_rate"": 0.01, ""max_depth"": 1, ""max_features"": 1.0, ""n_estimators"": 1500, ""subsample"": 0.7}",38.78,
tfmmax_frame,GaussianProcess,3.2622096940791403,2.327255350491035,0.7133984534209947,3.2622096940791403,,"{""gpr__amplitude"": 15.783879853890564, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.2778531518898433, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 1.7014397704982245e-05, ""gpr__rq_alpha"": 7.38115974661544}",32.65,"2.48**2 * Matern(length_scale=6.06, nu=1.5) + WhiteKernel(noise_level=1.7e-05)"
tfmmax_frame,XGBoost,4.483676044379338,3.975644078363131,0.8866929811637333,4.483676044379338,,"{""colsample_bytree"": 0.7, ""learning_rate"": 0.01, ""max_depth"": 1, ""min_child_weight"": 3, ""n_estimators"": 1122, ""subsample"": 0.7}",28.14,
tfmmax_frame,RandomForest,5.5303515805555366,4.473703176262174,0.8089364864236679,5.5303515805555366,,"{""max_depth"": 1, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 200}",41.89,
tfmmax_frame,FlexibleMLP,7.3172526519820895,7.04557172093037,0.9628711834928747,7.3172526519820895,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.0006944934206396821, ""mlp__learning_rate_init"": 0.0032339779426927657, ""mlp__n_layers"": 1, ""mlp__n_neurons"": 99}",304.77,
tfmmax_tw1,SVR,4.3925021654363405,5.5001549209265885,1.252168971982787,4.3925021654363405,,"{""svr__C"": 5236.232200043871, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.1}",21.66,
tfmmax_tw1,GaussianProcess,5.824945633600926,7.686077467608444,1.3195105930726059,5.824945633600926,,"{""gpr__amplitude"": 3.040177505329657, ""gpr__kernel_type"": ""RQ"", ""gpr__length_scale"": 0.2629640031365337, ""gpr__n_restarts_optimizer"": 10, ""gpr__noise"": 6.934513810183029e-08, ""gpr__rq_alpha"": 6.061391141345191}",40.44,"1.76**2 * RationalQuadratic(alpha=1e+03, length_scale=2.16) + WhiteKernel(noise_level=6.93e-08)"
tfmmax_tw1,FlexibleMLP,6.582640034090435,6.961591808104234,1.05756835738416,6.582640034090435,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 1e-05, ""mlp__learning_rate_init"": 0.01, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 64}",259.59,
tfmmax_tw1,GradientBoosting,13.511793024681092,10.764396684203307,0.796666783197515,13.511793024681092,,"{""learning_rate"": 0.01, ""max_depth"": 1, ""max_features"": 1.0, ""n_estimators"": 895, ""subsample"": 0.7}",35.2,
tfmmax_tw1,XGBoost,22.219134584554038,16.764440739148885,0.7545046669280691,22.219134584554038,,"{""colsample_bytree"": 0.7674077607707166, ""learning_rate"": 0.015555219980438314, ""max_depth"": 2, ""min_child_weight"": 3, ""n_estimators"": 1038, ""subsample"": 0.7}",33.74,
tfmmax_tw1,RandomForest,23.641361117592606,9.94313351385015,0.4205821088046836,23.641361117592606,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 3, ""n_estimators"": 200}",40.22,
tfmmax_tw2,SVR,5.680020912182758,5.561050062783906,0.9790545050382337,5.680020912182758,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.00963488624259149}",18.34,
tfmmax_tw2,FlexibleMLP,9.087693906694744,8.268052260251366,0.9098075204932285,9.087693906694744,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.009274969483615187, ""mlp__learning_rate_init"": 0.006500900236900651, ""mlp__n_layers"": 1, ""mlp__n_neurons"": 115}",361.1,
tfmmax_tw2,GaussianProcess,10.0291035442904,10.021186033768807,0.9992105465372225,10.0291035442904,,"{""gpr__amplitude"": 9.00918862493577, ""gpr__kernel_type"": ""Matern52"", ""gpr__length_scale"": 1.2157726626660632, ""gpr__n_restarts_optimizer"": 10, ""gpr__noise"": 0.0001, ""gpr__rq_alpha"": 2.141520783739573}",40.02,"3.41**2 * Matern(length_scale=6.41, nu=2.5) + WhiteKernel(noise_level=0.01)"
tfmmax_tw2,GradientBoosting,11.598380810221878,10.593068910995997,0.9133230822754259,11.598380810221878,,"{""learning_rate"": 0.06788372479073597, ""max_depth"": 1, ""max_features"": 1.0, ""n_estimators"": 200, ""subsample"": 0.7}",33.98,
tfmmax_tw2,RandomForest,17.4599810031348,15.045985293298534,0.8617412178511046,17.4599810031348,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 3, ""n_estimators"": 319}",45.19,
tfmmax_tw2,XGBoost,20.199756171332467,14.78180515090588,0.731781365355501,20.199756171332467,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.035040930870097256, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 200, ""subsample"": 0.7}",27.36,
Code/models/width_optimization/2W_ml_models_per_output_models_B34_H30_it0_cv_detailed_per_output_B34_H30.csv 0 → 100644
output,model,cv_rmse,std_rmse,cv_rmse_dispersion,cv_mae,cv_r2,BEST_PARAMS,fit_time_sec,gpr_kernel
exymax_tw1,SVR,0.0009391988885412684,0.0008408212014288188,0.8952536163397228,0.0009391988885412684,,"{""svr__C"": 1145.053088286465, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.00290506172148416}",13.58,
exymax_tw1,GaussianProcess,0.006286395530318298,0.007115554222289232,1.1318973150785743,0.006286395530318298,,"{""gpr__amplitude"": 100.0, ""gpr__kernel_type"": ""RBF"", ""gpr__length_scale"": 2.361364647456093, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 8.461979957381341e-11, ""gpr__rq_alpha"": 0.09573383400652338}",32.85,3.73**2 * RBF(length_scale=4.06) + WhiteKernel(noise_level=8.46e-11)
exymax_tw1,GradientBoosting,0.007213015243224071,0.005835291818934489,0.8089947992853863,0.007213015243224071,,"{""learning_rate"": 0.07999999999999999, ""max_depth"": 1, ""max_features"": 1.0, ""n_estimators"": 888, ""subsample"": 0.7}",27.93,
exymax_tw1,FlexibleMLP,0.007529932161866227,0.0062093826735622245,0.8246266420577266,0.007529932161866227,,"{""mlp__activation"": ""tanh"", ""mlp__alpha"": 0.0002061045404501547, ""mlp__learning_rate_init"": 0.0011304216699488043, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 469}",160.17,
exymax_tw1,RandomForest,0.017197718448375754,0.010107123487360576,0.5877014161907709,0.017197718448375754,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 483}",35.91,
exymax_tw1,XGBoost,0.02110078880637884,0.014003884175399965,0.6636663825177257,0.02110078880637884,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.01, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 200, ""subsample"": 0.7}",19.44,
exymax_tw2,SVR,0.006029466121502341,0.005518640222413557,0.9152784195491087,0.006029466121502341,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.0034683155294780777}",15.46,
exymax_tw2,GaussianProcess,0.0069347318929677704,0.006580766519542526,0.9489575979448915,0.0069347318929677704,,"{""gpr__amplitude"": 1.0862274576850792, ""gpr__kernel_type"": ""Matern52"", ""gpr__length_scale"": 4.174350684925192, ""gpr__n_restarts_optimizer"": 9, ""gpr__noise"": 1.1255372473930115e-11, ""gpr__rq_alpha"": 0.013817053968571608}",28.79,"4.43**2 * Matern(length_scale=7.85, nu=2.5) + WhiteKernel(noise_level=1.13e-11)"
exymax_tw2,FlexibleMLP,0.009269438568073593,0.007419412657431604,0.800416616707082,0.009269438568073593,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.0015246748254295628, ""mlp__learning_rate_init"": 0.007340675018434775, ""mlp__n_layers"": 2, ""mlp__n_neurons"": 364}",135.05,
exymax_tw2,GradientBoosting,0.016700477007043617,0.016547519016267307,0.9908411004840282,0.016700477007043617,,"{""learning_rate"": 0.07999999999999999, ""max_depth"": 1, ""max_features"": 0.7031297650225502, ""n_estimators"": 756, ""subsample"": 0.7620444853070656}",28.18,
exymax_tw2,RandomForest,0.022286896378906268,0.015043413620931024,0.6749891669604147,0.022286896378906268,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 800}",33.65,
exymax_tw2,XGBoost,0.023042750971347094,0.012678377658596918,0.5502111130030466,0.023042750971347094,,"{""colsample_bytree"": 0.7, ""learning_rate"": 0.01, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 1200, ""subsample"": 0.7}",21.28,
tfmmax_frame,SVR,3.2580037673327116,2.5119569360841667,0.7710110593704671,3.2580037673327116,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.013154596167883838}",20.55,
tfmmax_frame,GaussianProcess,4.861130062071435,2.777104647873538,0.571287871834919,4.861130062071435,,"{""gpr__amplitude"": 24.218605616737108, ""gpr__kernel_type"": ""RQ"", ""gpr__length_scale"": 0.18099022254583827, ""gpr__n_restarts_optimizer"": 10, ""gpr__noise"": 0.0001, ""gpr__rq_alpha"": 0.5177460521210273}",34.18,"2.13**2 * RationalQuadratic(alpha=1e+03, length_scale=3.12) + WhiteKernel(noise_level=0.01)"
tfmmax_frame,GradientBoosting,4.902889831675344,3.874234194734623,0.7901940136824931,4.902889831675344,,"{""learning_rate"": 0.06640687000693812, ""max_depth"": 1, ""max_features"": 0.6, ""n_estimators"": 1500, ""subsample"": 0.7464304021544185}",35.84,
tfmmax_frame,XGBoost,6.888140588378905,4.842058044853051,0.7029557516613651,6.888140588378905,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.0748481134538213, ""max_depth"": 3, ""min_child_weight"": 3, ""n_estimators"": 200, ""subsample"": 0.7}",35.84,
tfmmax_frame,RandomForest,8.933791985584499,5.538906901260313,0.6199950603503924,8.933791985584499,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 422}",37.07,
tfmmax_frame,FlexibleMLP,13.355614585858065,9.490152539058366,0.7105740045169661,13.355614585858065,,"{""mlp__activation"": ""tanh"", ""mlp__alpha"": 0.0025016366510076833, ""mlp__learning_rate_init"": 0.0005251637934360895, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 315}",493.94,
tfmmax_tw1,SVR,7.183119170413128,8.309840082499269,1.156856775636835,7.183119170413128,,"{""svr__C"": 8486.611629527324, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.01016134780490442}",24.3,
tfmmax_tw1,FlexibleMLP,11.286075138614564,13.407473120948438,1.1879659630366672,11.286075138614564,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.0018350308720501253, ""mlp__learning_rate_init"": 0.0005762697260565502, ""mlp__n_layers"": 2, ""mlp__n_neurons"": 271}",187.23,
tfmmax_tw1,GaussianProcess,13.737825143457947,12.334799542075679,0.8978713452288771,13.737825143457947,,"{""gpr__amplitude"": 16.140832807988044, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 0.7808758275555846, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 6.169251139368679e-05, ""gpr__rq_alpha"": 26.452608826658203}",38.33,"2.32**2 * Matern(length_scale=5.44, nu=1.5) + WhiteKernel(noise_level=8.68e-10)"
tfmmax_tw1,GradientBoosting,17.125644279942367,19.711357868064262,1.1509848941070377,17.125644279942367,,"{""learning_rate"": 0.07405969628647097, ""max_depth"": 1, ""max_features"": 0.627031854430126, ""n_estimators"": 1500, ""subsample"": 0.7044256922159705}",36.7,
tfmmax_tw1,XGBoost,31.923099018096924,20.0219722136703,0.6271938762060669,31.923099018096924,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.01, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 1200, ""subsample"": 0.7}",23.41,
tfmmax_tw1,RandomForest,34.50481845877975,13.424290144940972,0.38905552165063373,34.50481845877975,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 800}",39.26,
tfmmax_tw2,SVR,10.383152021375174,7.182550943352127,0.6917505328406864,10.383152021375174,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.014504091099759808}",17.64,
tfmmax_tw2,GaussianProcess,12.568712109000534,10.028846117767344,0.7979215396767362,12.568712109000534,,"{""gpr__amplitude"": 1.3398234241115743, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.3199024542148905, ""gpr__n_restarts_optimizer"": 9, ""gpr__noise"": 1e-12, ""gpr__rq_alpha"": 0.01}",33.86,"3.25**2 * Matern(length_scale=8.09, nu=1.5) + WhiteKernel(noise_level=1e-12)"
tfmmax_tw2,FlexibleMLP,15.01279775850158,12.692329287957353,0.8454339752075744,15.01279775850158,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.01, ""mlp__learning_rate_init"": 0.01, ""mlp__n_layers"": 2, ""mlp__n_neurons"": 193}",633.68,
tfmmax_tw2,GradientBoosting,16.124106409066343,14.362760324592521,0.8907631815501141,16.124106409066343,,"{""learning_rate"": 0.06268027396088106, ""max_depth"": 1, ""max_features"": 1.0, ""n_estimators"": 1500, ""subsample"": 0.7}",34.28,
tfmmax_tw2,RandomForest,25.02939522697173,21.87132552293479,0.8738255688801543,25.02939522697173,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 4, ""n_estimators"": 800}",43.05,
tfmmax_tw2,XGBoost,28.443999732971193,19.98240260502107,0.7025173250110193,28.443999732971193,,"{""colsample_bytree"": 0.8764302714511444, ""learning_rate"": 0.010883230981476177, ""max_depth"": 1, ""min_child_weight"": 3, ""n_estimators"": 821, ""subsample"": 0.7142781364856831}",23.27,
Code/models/width_optimization/2W_ml_models_per_output_models_B34_H30_it1_cv_detailed_per_output_B34_H30.csv 0 → 100644
output,model,cv_rmse,std_rmse,cv_rmse_dispersion,cv_mae,cv_r2,BEST_PARAMS,fit_time_sec,gpr_kernel
exymax_tw1,SVR,0.0008570511851203082,0.0006731653127795403,0.7854435353065231,0.0008570511851203082,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.005539382250631029}",15.78,
exymax_tw1,GaussianProcess,0.00259269843299015,0.003052161150710224,1.177214099362176,0.00259269843299015,,"{""gpr__amplitude"": 17.76576664980768, ""gpr__kernel_type"": ""RBF"", ""gpr__length_scale"": 2.467108843522573, ""gpr__n_restarts_optimizer"": 8, ""gpr__noise"": 1.5290392171324112e-08, ""gpr__rq_alpha"": 0.024089076834871728}",27.84,3.96**2 * RBF(length_scale=4.34) + WhiteKernel(noise_level=1.53e-08)
exymax_tw1,FlexibleMLP,0.0040100425936702416,0.003920304407185099,0.9776216375789145,0.0040100425936702416,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.00014654496622910706, ""mlp__learning_rate_init"": 0.0004227157952168497, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 512}",231.54,
exymax_tw1,GradientBoosting,0.0075532811368529225,0.009000714666129126,1.1916297703012915,0.0075532811368529225,,"{""learning_rate"": 0.07999999999999999, ""max_depth"": 1, ""max_features"": 0.6, ""n_estimators"": 1500, ""subsample"": 0.9}",34.17,
exymax_tw1,RandomForest,0.013631267656481476,0.011536827513353016,0.846350303147882,0.013631267656481476,,"{""max_depth"": 1, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 4, ""n_estimators"": 200}",37.11,
exymax_tw1,XGBoost,0.020261089147528014,0.01403886937801257,0.6928980607010163,0.020261089147528014,,"{""colsample_bytree"": 0.7, ""learning_rate"": 0.2, ""max_depth"": 2, ""min_child_weight"": 3, ""n_estimators"": 200, ""subsample"": 0.95}",20.85,
exymax_tw2,SVR,0.004098427736105821,0.005731658601911444,1.3985018087344538,0.004098427736105821,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.000496625156190818, ""svr__gamma"": 0.00798837332507487}",17.3,
exymax_tw2,GaussianProcess,0.006278008952606092,0.006251443662881164,0.9957685167502189,0.006278008952606092,,"{""gpr__amplitude"": 8.632012725909878, ""gpr__kernel_type"": ""RQ"", ""gpr__length_scale"": 0.04512619487621619, ""gpr__n_restarts_optimizer"": 3, ""gpr__noise"": 2.5352795401259186e-06, ""gpr__rq_alpha"": 0.30925669615839474}",31.46,"4.33**2 * RationalQuadratic(alpha=1.35, length_scale=5.57) + WhiteKernel(noise_level=0.00114)"
exymax_tw2,FlexibleMLP,0.010756116204244055,0.007640357174494708,0.7103267600883711,0.010756116204244055,,"{""mlp__activation"": ""tanh"", ""mlp__alpha"": 0.01, ""mlp__learning_rate_init"": 0.0001, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 512}",277.99,
exymax_tw2,GradientBoosting,0.014207767921725052,0.010336192381796545,0.7275029011412487,0.014207767921725052,,"{""learning_rate"": 0.07999999999999999, ""max_depth"": 1, ""max_features"": 1.0, ""n_estimators"": 507, ""subsample"": 0.7}",28.55,
exymax_tw2,RandomForest,0.0199899622666667,0.014959820626122325,0.7483666265377527,0.0199899622666667,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 4, ""n_estimators"": 200}",35.21,
exymax_tw2,XGBoost,0.02252720948460897,0.01564238317593637,0.6943773123175132,0.02252720948460897,,"{""colsample_bytree"": 0.8924816362701187, ""learning_rate"": 0.021789610070768725, ""max_depth"": 1, ""min_child_weight"": 3, ""n_estimators"": 238, ""subsample"": 0.7964709521551065}",22.92,
tfmmax_frame,SVR,3.011026789438939,4.004787262164137,1.3300403955922195,3.011026789438939,,"{""svr__C"": 1481.8620538180178, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.008831482506567626}",18.7,
tfmmax_frame,FlexibleMLP,3.4329196927593526,3.5962636880616357,1.047581653496528,3.4329196927593526,,"{""mlp__activation"": ""tanh"", ""mlp__alpha"": 4.133393571577299e-05, ""mlp__learning_rate_init"": 0.01, ""mlp__n_layers"": 1, ""mlp__n_neurons"": 249}",1385.2,
tfmmax_frame,GaussianProcess,4.420805377977214,3.215902511990723,0.7274472040798577,4.420805377977214,,"{""gpr__amplitude"": 15.302922772649232, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 0.4082478946247343, ""gpr__n_restarts_optimizer"": 9, ""gpr__noise"": 0.0001, ""gpr__rq_alpha"": 100.0}",33.11,"2.41**2 * Matern(length_scale=5.94, nu=1.5) + WhiteKernel(noise_level=9.98e-05)"
tfmmax_frame,GradientBoosting,4.612996940871379,4.84040521061896,1.0492972947223815,4.612996940871379,,"{""learning_rate"": 0.013919589474543723, ""max_depth"": 1, ""max_features"": 0.6548784763847341, ""n_estimators"": 1376, ""subsample"": 0.7}",36.63,
tfmmax_frame,RandomForest,7.313851344444424,5.386302748414373,0.7364523142114161,7.313851344444424,,"{""max_depth"": 1, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 200}",37.19,
tfmmax_frame,XGBoost,7.802602041286891,4.566311927582524,0.5852293764849499,7.802602041286891,,"{""colsample_bytree"": 0.7, ""learning_rate"": 0.01, ""max_depth"": 1, ""min_child_weight"": 3, ""n_estimators"": 1200, ""subsample"": 0.7}",34.19,
tfmmax_tw1,SVR,4.560302421976251,6.820351469024152,1.4955919230612091,4.560302421976251,,"{""svr__C"": 3379.63611316452, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.019544854457496024}",20.65,
tfmmax_tw1,GaussianProcess,9.105443149658928,10.600553074326331,1.1641995782185963,9.105443149658928,,"{""gpr__amplitude"": 5.282502596111938, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.2599580284909435, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 9.78963138858132e-06, ""gpr__rq_alpha"": 10.361438545346061}",32.81,"3**2 * Matern(length_scale=7.32, nu=1.5) + WhiteKernel(noise_level=2.72e-09)"
tfmmax_tw1,FlexibleMLP,10.06809365397592,7.534600313824996,0.7483641464588046,10.06809365397592,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.0009867418278990128, ""mlp__learning_rate_init"": 0.01, ""mlp__n_layers"": 1, ""mlp__n_neurons"": 64}",273.92,
tfmmax_tw1,GradientBoosting,16.819826032983443,18.5413004600373,1.1023479329499644,16.819826032983443,,"{""learning_rate"": 0.062293187477610465, ""max_depth"": 1, ""max_features"": 0.8335379521129794, ""n_estimators"": 1500, ""subsample"": 0.7}",41.65,
tfmmax_tw1,RandomForest,28.513960764390934,16.316328891767192,0.5722224641672194,28.513960764390934,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 415}",45.77,
tfmmax_tw1,XGBoost,33.646646844482426,22.338090055573662,0.6639024137775795,33.646646844482426,,"{""colsample_bytree"": 0.9351802199931738, ""learning_rate"": 0.1923434374313926, ""max_depth"": 2, ""min_child_weight"": 3, ""n_estimators"": 923, ""subsample"": 0.7862748144930891}",32.73,
tfmmax_tw2,SVR,7.532025741419391,5.994528134314546,0.7958719659373991,7.532025741419391,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.018215310665708}",20.35,
tfmmax_tw2,GaussianProcess,9.4146236263087,8.042905282918047,0.8542991841375949,9.4146236263087,,"{""gpr__amplitude"": 22.364202820542708, ""gpr__kernel_type"": ""RQ"", ""gpr__length_scale"": 0.1635461931468242, ""gpr__n_restarts_optimizer"": 10, ""gpr__noise"": 8.185087448430454e-06, ""gpr__rq_alpha"": 0.017752182884113583}",32.97,"3.58**2 * RationalQuadratic(alpha=1e+03, length_scale=4.31) + WhiteKernel(noise_level=0.00398)"
tfmmax_tw2,GradientBoosting,13.587370298798847,10.313239200828738,0.7590312896484797,13.587370298798847,,"{""learning_rate"": 0.02911560928746067, ""max_depth"": 1, ""max_features"": 1.0, ""n_estimators"": 1238, ""subsample"": 0.724603829439197}",34.7,
tfmmax_tw2,FlexibleMLP,13.638150768372547,8.656749417008834,0.6347451032059424,13.638150768372547,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.00834395187014542, ""mlp__learning_rate_init"": 0.0029488173801534745, ""mlp__n_layers"": 1, ""mlp__n_neurons"": 64}",228.45,
tfmmax_tw2,RandomForest,23.399001751183537,20.62974127884238,0.8816504865554324,23.399001751183537,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 3, ""n_estimators"": 665}",43.46,
tfmmax_tw2,XGBoost,25.95496679280599,19.083915126969973,0.7352702578783308,25.95496679280599,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.01, ""max_depth"": 1, ""min_child_weight"": 3, ""n_estimators"": 200, ""subsample"": 0.95}",23.47,
Code/models/width_optimization/2W_ml_models_per_output_models_B34_H30_it2_cv_detailed_per_output_B34_H30.csv 0 → 100644
output,model,cv_rmse,std_rmse,cv_rmse_dispersion,cv_mae,cv_r2,BEST_PARAMS,fit_time_sec,gpr_kernel
exymax_tw1,SVR,0.0006968397898665924,0.0005873044060281011,0.8428112380616763,0.0006968397898665924,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.00021095984730562292, ""svr__gamma"": 0.0035006485355441514}",14.43,
exymax_tw1,GaussianProcess,0.0020198340644453703,0.0026723869454728317,1.3230725199233864,0.0020198340644453703,,"{""gpr__amplitude"": 99.90515207734656, ""gpr__kernel_type"": ""RBF"", ""gpr__length_scale"": 0.6437401515183162, ""gpr__n_restarts_optimizer"": 1, ""gpr__noise"": 5.082795914279782e-07, ""gpr__rq_alpha"": 0.01}",28.59,5.16**2 * RBF(length_scale=5.18) + WhiteKernel(noise_level=0.000116)
exymax_tw1,GradientBoosting,0.003940095081820538,0.0038005738912385246,0.9645893848537412,0.003940095081820538,,"{""learning_rate"": 0.07999999999999999, ""max_depth"": 1, ""max_features"": 1.0, ""n_estimators"": 1500, ""subsample"": 0.9}",32.34,
exymax_tw1,FlexibleMLP,0.005957542154818697,0.007456540584997513,1.2516135666730226,0.005957542154818697,,"{""mlp__activation"": ""tanh"", ""mlp__alpha"": 2.3396801968910945e-05, ""mlp__learning_rate_init"": 0.000496358810731356, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 254}",124.48,
exymax_tw1,RandomForest,0.013214594569761914,0.010953058848621132,0.8288607562493286,0.013214594569761914,,"{""max_depth"": 1, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 200}",38.42,
exymax_tw1,XGBoost,0.019739691254458427,0.012586443163823508,0.6376210753033293,0.019739691254458427,,"{""colsample_bytree"": 0.9816133117957346, ""learning_rate"": 0.010233421431235106, ""max_depth"": 1, ""min_child_weight"": 3, ""n_estimators"": 1183, ""subsample"": 0.7190608898653754}",25.97,
exymax_tw2,SVR,0.0034659291460564117,0.005031495884233731,1.4517018877776673,0.0034659291460564117,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0003114954241837501, ""svr__gamma"": 0.0020514485079171293}",15.47,
exymax_tw2,GaussianProcess,0.00560546687572881,0.007632459459509591,1.3616099477025696,0.00560546687572881,,"{""gpr__amplitude"": 0.01164926162616544, ""gpr__kernel_type"": ""Matern52"", ""gpr__length_scale"": 0.043484544875422505, ""gpr__n_restarts_optimizer"": 10, ""gpr__noise"": 2.39926693921948e-09, ""gpr__rq_alpha"": 5.214962693126692}",27.47,"5.48**2 * Matern(length_scale=9.09, nu=2.5) + WhiteKernel(noise_level=2.91e-12)"
exymax_tw2,FlexibleMLP,0.00895303924898745,0.010725050131934366,1.197922831975446,0.00895303924898745,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.0002212060059521561, ""mlp__learning_rate_init"": 0.0076781710968182705, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 512}",153.59,
exymax_tw2,GradientBoosting,0.014551996639769202,0.018479363776151503,1.2698851046769202,0.014551996639769202,,"{""learning_rate"": 0.027630372593112466, ""max_depth"": 1, ""max_features"": 0.6525791949394298, ""n_estimators"": 1028, ""subsample"": 0.7010013042508281}",30.46,
exymax_tw2,RandomForest,0.017908671862023818,0.015448487436867489,0.8626260817044024,0.017908671862023818,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 200}",34.6,
exymax_tw2,XGBoost,0.019415374924397467,0.014334391452637464,0.7383010376289354,0.019415374924397467,,"{""colsample_bytree"": 0.8487594076200335, ""learning_rate"": 0.01481505259634266, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 458, ""subsample"": 0.700196120820241}",21.92,
tfmmax_frame,SVR,2.490499986730133,3.438991682668595,1.3808438871681228,2.490499986730133,,"{""svr__C"": 2127.5517775450967, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.010102426615700223}",23.28,
tfmmax_frame,GaussianProcess,3.488075534625935,3.624257672097083,1.0390421985187177,3.488075534625935,,"{""gpr__amplitude"": 100.0, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 8.30080274941024, ""gpr__n_restarts_optimizer"": 4, ""gpr__noise"": 1.1718346496851268e-07, ""gpr__rq_alpha"": 0.01}",36.98,"2.95**2 * Matern(length_scale=7.5, nu=1.5) + WhiteKernel(noise_level=1.17e-07)"
tfmmax_frame,FlexibleMLP,4.06430819064026,3.9008383612382445,0.9597791747735883,4.06430819064026,,"{""mlp__activation"": ""tanh"", ""mlp__alpha"": 1e-05, ""mlp__learning_rate_init"": 0.005061969499259066, ""mlp__n_layers"": 1, ""mlp__n_neurons"": 500}",333.47,
tfmmax_frame,GradientBoosting,4.082543305309253,3.897403525324181,0.9546508717386288,4.082543305309253,,"{""learning_rate"": 0.07999999999999999, ""max_depth"": 1, ""max_features"": 0.6, ""n_estimators"": 256, ""subsample"": 0.7929934898034711}",31.91,
tfmmax_frame,RandomForest,6.636618526319403,5.431802053817716,0.8184592849922526,6.636618526319403,,"{""max_depth"": 1, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 4, ""n_estimators"": 800}",41.27,
tfmmax_frame,XGBoost,7.401147117919919,4.230760654942959,0.5716358001720154,7.401147117919919,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.01, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 771, ""subsample"": 0.95}",30.47,
tfmmax_tw1,SVR,3.494175464857668,6.181428432381272,1.7690664062381498,3.494175464857668,,"{""svr__C"": 3802.4465977474147, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.01992493839597558}",23.0,
tfmmax_tw1,GaussianProcess,7.436554471550762,9.595440046505875,1.2903072361285233,7.436554471550762,,"{""gpr__amplitude"": 19.53729724639684, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.2070221741160438, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 2.0743607564143484e-05, ""gpr__rq_alpha"": 4.686865267098099}",35.36,"3.77**2 * Matern(length_scale=9.39, nu=1.5) + WhiteKernel(noise_level=4.04e-09)"
tfmmax_tw1,FlexibleMLP,8.482266628409631,7.731636258573703,0.9115059213864082,8.482266628409631,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.00011890580532871589, ""mlp__learning_rate_init"": 0.0007727523895091436, ""mlp__n_layers"": 1, ""mlp__n_neurons"": 360}",286.51,
tfmmax_tw1,GradientBoosting,14.13214746153613,17.63389360545531,1.247785848077936,14.13214746153613,,"{""learning_rate"": 0.07344647142610128, ""max_depth"": 1, ""max_features"": 0.6475215396489009, ""n_estimators"": 1342, ""subsample"": 0.7408706855044647}",36.96,
tfmmax_tw1,RandomForest,25.368590364908336,16.85392664939941,0.6643619691503623,25.368590364908336,,"{""max_depth"": 2, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 3, ""n_estimators"": 464}",45.26,
tfmmax_tw1,XGBoost,37.44987000854492,29.277926738246062,0.7817898094590376,37.44987000854492,,"{""colsample_bytree"": 0.7236219375551414, ""learning_rate"": 0.11452099174371604, ""max_depth"": 1, ""min_child_weight"": 7, ""n_estimators"": 781, ""subsample"": 0.7371784757522071}",32.82,
tfmmax_tw2,SVR,6.683739183035918,6.228022161517708,0.9318170549391168,6.683739183035918,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.04899986718422711, ""svr__gamma"": 0.015496971470775237}",18.14,
tfmmax_tw2,GaussianProcess,8.435277293060128,8.826450586489932,1.046373495480893,8.435277293060128,,"{""gpr__amplitude"": 14.830700901858126, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 4.171379243293783, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 9.19910964511095e-06, ""gpr__rq_alpha"": 2.4372109953432006}",32.07,"5.07**2 * Matern(length_scale=13, nu=1.5) + WhiteKernel(noise_level=5.85e-11)"
tfmmax_tw2,FlexibleMLP,11.255504043664384,7.529028080407925,0.6689196726508169,11.255504043664384,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.008994572699583347, ""mlp__learning_rate_init"": 0.003201882884302263, ""mlp__n_layers"": 1, ""mlp__n_neurons"": 64}",223.09,
tfmmax_tw2,GradientBoosting,15.141357542442169,14.765134454103837,0.975152618430431,15.141357542442169,,"{""learning_rate"": 0.07999999999999999, ""max_depth"": 1, ""max_features"": 1.0, ""n_estimators"": 200, ""subsample"": 0.7}",33.78,
tfmmax_tw2,RandomForest,21.152862473998006,20.834006391852917,0.9849261024347394,21.152862473998006,,"{""max_depth"": 3, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 3, ""n_estimators"": 800}",39.69,
tfmmax_tw2,XGBoost,22.52470227172852,16.939970449859292,0.7520619027724595,22.52470227172852,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.013379546407576461, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 542, ""subsample"": 0.7}",31.92,
Code/models/width_optimization/3W_ml_models_per_output_models_B29_H45_it0_cv_detailed_per_output_B29_H45.csv 0 → 100644
output,model,cv_rmse,std_rmse,cv_rmse_dispersion,cv_mae,cv_r2,BEST_PARAMS,fit_time_sec,gpr_kernel
exymax_tw1,SVR,0.006001995451920213,0.007236707021472172,1.2057168452463487,0.006001995451920213,,"{""svr__C"": 1.251057115936832, ""svr__epsilon"": 0.00010059140475344428, ""svr__gamma"": 0.046153252899337686}",21.47,
exymax_tw1,GradientBoosting,0.00603072181438803,0.0070969169841838655,1.176793956446825,0.00603072181438803,,"{""learning_rate"": 0.04253596650346244, ""max_depth"": 3, ""max_features"": 0.7976937056494365, ""n_estimators"": 415, ""subsample"": 0.7}",35.7,
exymax_tw1,GaussianProcess,0.007032812987993673,0.0077426239625777585,1.100928458611919,0.007032812987993673,,"{""gpr__amplitude"": 15.783879853890564, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.2778531518898433, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 1.7014397704982245e-05, ""gpr__rq_alpha"": 7.38115974661544}",31.18,"1.43**2 * Matern(length_scale=2.95, nu=1.5) + WhiteKernel(noise_level=1.7e-05)"
exymax_tw1,FlexibleMLP,0.008699480230400259,0.00737838245811897,0.8481406087153662,0.008699480230400259,,"{""mlp__activation"": ""tanh"", ""mlp__alpha"": 0.0057547661357822966, ""mlp__learning_rate_init"": 0.0009838602333915323, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 209}",380.76,
exymax_tw1,RandomForest,0.009211883613481039,0.008746975354716314,0.9495316833916182,0.009211883613481039,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 450}",56.59,
exymax_tw1,XGBoost,0.010795381591319292,0.010509178366703363,0.9734883642421618,0.010795381591319292,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.01, ""max_depth"": 1, ""min_child_weight"": 3, ""n_estimators"": 1200, ""subsample"": 0.7}",32.66,
exymax_tw2,SVR,0.0074343683500841745,0.004806222418653051,0.6464869901958292,0.0074343683500841745,,"{""svr__C"": 1578.3879853890564, ""svr__epsilon"": 0.002061045404501547, ""svr__gamma"": 0.003800674800490907}",18.66,
exymax_tw2,GradientBoosting,0.008905631385286099,0.008209564382824648,0.9218396795973957,0.008905631385286099,,"{""learning_rate"": 0.03095578839842604, ""max_depth"": 3, ""max_features"": 0.7985866814386867, ""n_estimators"": 1289, ""subsample"": 0.7648119964568747}",42.64,
exymax_tw2,FlexibleMLP,0.008952722063855102,0.009142550582241303,1.0212034414820714,0.008952722063855102,,"{""mlp__activation"": ""tanh"", ""mlp__alpha"": 3.278043287004692e-05, ""mlp__learning_rate_init"": 0.001570703295827246, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 298}",293.09,
exymax_tw2,GaussianProcess,0.00993961934007177,0.005790548068277946,0.5825724175304419,0.00993961934007177,,"{""gpr__amplitude"": 15.783879853890564, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.2778531518898433, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 1.7014397704982245e-05, ""gpr__rq_alpha"": 7.38115974661544}",27.01,"1.59**2 * Matern(length_scale=3.64, nu=1.5) + WhiteKernel(noise_level=1.7e-05)"
exymax_tw2,RandomForest,0.011853450685807647,0.014190565021059023,1.1971674238329304,0.011853450685807647,,"{""max_depth"": 3, ""max_features"": 0.9696848688013859, ""min_samples_leaf"": 2, ""min_samples_split"": 3, ""n_estimators"": 680}",49.74,
exymax_tw2,XGBoost,0.014017723306074738,0.015356355068290214,1.0954956616696354,0.014017723306074738,,"{""colsample_bytree"": 0.7850364898178779, ""learning_rate"": 0.014280526798824952, ""max_depth"": 3, ""min_child_weight"": 5, ""n_estimators"": 266, ""subsample"": 0.7011683788047537}",26.57,
exymax_tw3,GradientBoosting,0.006215295360582448,0.007255618692319494,1.1673811575126103,0.006215295360582448,,"{""learning_rate"": 0.07999999999999999, ""max_depth"": 1, ""max_features"": 1.0, ""n_estimators"": 200, ""subsample"": 0.9}",37.7,
exymax_tw3,SVR,0.006866803384362145,0.005579658066440473,0.8125553848166233,0.006866803384362145,,"{""svr__C"": 5535.810253232563, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.0016100194468603758}",19.23,
exymax_tw3,GaussianProcess,0.00988507902808412,0.00784538748727503,0.7936595615458207,0.00988507902808412,,"{""gpr__amplitude"": 21.801034672053195, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.0353558840868569, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 4.868712960124535e-10, ""gpr__rq_alpha"": 72.3265102682836}",30.32,"2.35**2 * Matern(length_scale=6.54, nu=1.5) + WhiteKernel(noise_level=4.87e-10)"
exymax_tw3,RandomForest,0.0118828453288412,0.009887495429239017,0.8320814717028074,0.0118828453288412,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 800}",46.68,
exymax_tw3,XGBoost,0.012508393807823957,0.012129338915953802,0.969695957954805,0.012508393807823957,,"{""colsample_bytree"": 0.7, ""learning_rate"": 0.01, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 1200, ""subsample"": 0.765008548037887}",24.8,
exymax_tw3,FlexibleMLP,0.012812137651591084,0.008407871565191323,0.6562426812630432,0.012812137651591084,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.005160135756716969, ""mlp__learning_rate_init"": 0.01, ""mlp__n_layers"": 2, ""mlp__n_neurons"": 512}",350.14,
tfmmax_frame,SVR,2.5401682807293624,1.9339303643963996,0.7613394667856836,2.5401682807293624,,"{""svr__C"": 2392.4696144711884, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.07938429797160905}",24.79,
tfmmax_frame,GaussianProcess,3.290103702830376,3.064705291431367,0.9314920039738852,3.290103702830376,,"{""gpr__amplitude"": 0.01108476210136268, ""gpr__kernel_type"": ""RQ"", ""gpr__length_scale"": 29.047432587351736, ""gpr__n_restarts_optimizer"": 3, ""gpr__noise"": 1.1374107298776648e-05, ""gpr__rq_alpha"": 0.3351721071240817}",39.44,"1.39**2 * RationalQuadratic(alpha=1e+03, length_scale=2.62) + WhiteKernel(noise_level=0.000243)"
tfmmax_frame,FlexibleMLP,8.293164384685781,6.848956148966488,0.8258555879603474,8.293164384685781,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 1e-05, ""mlp__learning_rate_init"": 0.004845805447602877, ""mlp__n_layers"": 3, ""mlp__n_neurons"": 512}",851.3,
tfmmax_frame,GradientBoosting,10.149793444979426,7.941774573933256,0.7824567679120247,10.149793444979426,,"{""learning_rate"": 0.01, ""max_depth"": 2, ""max_features"": 1.0, ""n_estimators"": 1436, ""subsample"": 0.7}",46.98,
tfmmax_frame,XGBoost,11.909477101898194,10.321340620821681,0.8666493526551735,11.909477101898194,,"{""colsample_bytree"": 0.7038318977036059, ""learning_rate"": 0.19789970002066382, ""max_depth"": 1, ""min_child_weight"": 3, ""n_estimators"": 1200, ""subsample"": 0.95}",28.28,
tfmmax_frame,RandomForest,11.995015586073901,8.374664413872166,0.6981787021264959,11.995015586073901,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 200}",51.1,
tfmmax_tw1,GaussianProcess,9.626528576791392,12.59742504746399,1.3086155561658162,9.626528576791392,,"{""gpr__amplitude"": 14.23439735511954, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.3324202691254317, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 3.930566415820431e-05, ""gpr__rq_alpha"": 7.487145894090875}",39.28,"1.98**2 * Matern(length_scale=4.66, nu=1.5) + WhiteKernel(noise_level=6.6e-10)"
tfmmax_tw1,FlexibleMLP,10.0635704605035,10.744361421080878,1.067649047944691,10.0635704605035,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.00013301295828297907, ""mlp__learning_rate_init"": 0.00025137486913624557, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 296}",554.03,
tfmmax_tw1,GradientBoosting,10.174849755796814,10.732300056415774,1.0547870793179397,10.174849755796814,,"{""learning_rate"": 0.07999999999999999, ""max_depth"": 3, ""max_features"": 0.9039407276230857, ""n_estimators"": 1498, ""subsample"": 0.7}",45.78,
tfmmax_tw1,SVR,10.424559775421898,10.20992219313162,0.9794103936363499,10.424559775421898,,"{""svr__C"": 2810.82923959197, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.06531008775025517}",27.8,
tfmmax_tw1,RandomForest,17.93885405526413,17.049424612269636,0.9504188260713625,17.93885405526413,,"{""max_depth"": 3, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 3, ""n_estimators"": 800}",57.07,
tfmmax_tw1,XGBoost,21.216950493896007,23.0348171312776,1.0856799207739387,21.216950493896007,,"{""colsample_bytree"": 0.9205996170623962, ""learning_rate"": 0.01364888047412422, ""max_depth"": 1, ""min_child_weight"": 4, ""n_estimators"": 416, ""subsample"": 0.7567999303843258}",33.86,
tfmmax_tw2,SVR,6.756727839118981,6.676538341560321,0.9881319035681159,6.756727839118981,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.05217529822341832}",26.05,
tfmmax_tw2,GaussianProcess,7.603540683928204,7.080372403752352,0.931194123642728,7.603540683928204,,"{""gpr__amplitude"": 3.774672668226507, ""gpr__kernel_type"": ""RBF"", ""gpr__length_scale"": 1.1774847267003916, ""gpr__n_restarts_optimizer"": 8, ""gpr__noise"": 7.4362827567973694e-09, ""gpr__rq_alpha"": 0.011804465944974302}",35.69,1.91**2 * RBF(length_scale=2.5) + WhiteKernel(noise_level=7.44e-09)
tfmmax_tw2,FlexibleMLP,8.087966887956073,7.634582836376119,0.9439433843064942,8.087966887956073,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 1e-05, ""mlp__learning_rate_init"": 0.0007405874332616178, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 512}",1472.57,
tfmmax_tw2,GradientBoosting,9.717010582825283,10.597194502567135,1.090581759918793,9.717010582825283,,"{""learning_rate"": 0.01, ""max_depth"": 1, ""max_features"": 1.0, ""n_estimators"": 1084, ""subsample"": 0.7}",43.03,
tfmmax_tw2,RandomForest,13.232088236123507,16.22612642400946,1.2262710264969554,13.232088236123507,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 200}",52.0,
tfmmax_tw2,XGBoost,14.919652176666261,12.959112652737284,0.8685934832317885,14.919652176666261,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.2, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 200, ""subsample"": 0.95}",34.13,
tfmmax_tw3,SVR,4.670361578439981,5.422009365315906,1.1609399559866613,4.670361578439981,,"{""svr__C"": 8424.551575529082, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.035969539073433233}",26.14,
tfmmax_tw3,GaussianProcess,6.376907789529663,6.921580345617358,1.0854132714576807,6.376907789529663,,"{""gpr__amplitude"": 100.0, ""gpr__kernel_type"": ""RQ"", ""gpr__length_scale"": 0.01, ""gpr__n_restarts_optimizer"": 5, ""gpr__noise"": 0.0001, ""gpr__rq_alpha"": 0.44672126693118624}",36.65,"2.47**2 * RationalQuadratic(alpha=1e+03, length_scale=3.84) + WhiteKernel(noise_level=0.00044)"
tfmmax_tw3,GradientBoosting,8.779461099318883,9.519607163223423,1.0843042705618868,8.779461099318883,,"{""learning_rate"": 0.01, ""max_depth"": 1, ""max_features"": 1.0, ""n_estimators"": 1500, ""subsample"": 0.758923798656051}",47.55,
tfmmax_tw3,FlexibleMLP,9.862308877726177,9.042706144380263,0.91689545080088,9.862308877726177,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.00011774574559119063, ""mlp__learning_rate_init"": 0.00014572882138056477, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 475}",1224.44,
tfmmax_tw3,RandomForest,17.046907741542668,17.766336867856367,1.0422029107695865,17.046907741542668,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 200}",51.34,
tfmmax_tw3,XGBoost,20.811745992279054,21.539345469580947,1.0349610012332375,20.811745992279054,,"{""colsample_bytree"": 0.7, ""learning_rate"": 0.2, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 200, ""subsample"": 0.95}",31.14,
Code/models/width_optimization/3W_ml_models_per_output_models_B29_H45_it1_cv_detailed_per_output_B29_H45.csv 0 → 100644
output,model,cv_rmse,std_rmse,cv_rmse_dispersion,cv_mae,cv_r2,BEST_PARAMS,fit_time_sec,gpr_kernel
exymax_tw1,SVR,0.004544565096969737,0.005622030813647301,1.2370888508992874,0.004544565096969737,,"{""svr__C"": 2.0969470732826045, ""svr__epsilon"": 0.00010027088895761322, ""svr__gamma"": 0.03663137264354234}",17.92,
exymax_tw1,FlexibleMLP,0.0050412677729353384,0.005583817422831337,1.1076216686621454,0.0050412677729353384,,"{""mlp__activation"": ""tanh"", ""mlp__alpha"": 0.00923655338702395, ""mlp__learning_rate_init"": 0.007516853847204845, ""mlp__n_layers"": 2, ""mlp__n_neurons"": 123}",385.41,
exymax_tw1,GaussianProcess,0.0059238977582803855,0.006595334052775796,1.113343666939032,0.0059238977582803855,,"{""gpr__amplitude"": 15.783879853890564, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.2778531518898433, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 1.7014397704982245e-05, ""gpr__rq_alpha"": 7.38115974661544}",31.58,"1.56**2 * Matern(length_scale=3.36, nu=1.5) + WhiteKernel(noise_level=1.7e-05)"
exymax_tw1,GradientBoosting,0.006366275813505121,0.006783848825448715,1.0655914107676223,0.006366275813505121,,"{""learning_rate"": 0.0710424418691191, ""max_depth"": 3, ""max_features"": 0.9968580993343699, ""n_estimators"": 1500, ""subsample"": 0.8494010383216993}",35.45,
exymax_tw1,XGBoost,0.00883425397652475,0.010149621343495339,1.1488939949503278,0.00883425397652475,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.01, ""max_depth"": 1, ""min_child_weight"": 4, ""n_estimators"": 862, ""subsample"": 0.7}",26.54,
exymax_tw1,RandomForest,0.009197296698506052,0.007921215100538245,0.8612547099654744,0.009197296698506052,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 800}",50.25,
exymax_tw2,SVR,0.007153056583588979,0.0048896483167959436,0.6835746732402623,0.007153056583588979,,"{""svr__C"": 1578.3879853890564, ""svr__epsilon"": 0.002061045404501547, ""svr__gamma"": 0.003800674800490907}",17.44,
exymax_tw2,FlexibleMLP,0.008236601439844313,0.007159647932692601,0.8692478305503551,0.008236601439844313,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 1e-05, ""mlp__learning_rate_init"": 0.0015082948374470805, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 447}",504.57,
exymax_tw2,GaussianProcess,0.009003319801309043,0.005790670916025819,0.6431706352565507,0.009003319801309043,,"{""gpr__amplitude"": 97.94964542124627, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 100.0, ""gpr__n_restarts_optimizer"": 10, ""gpr__noise"": 6.630395769645683e-05, ""gpr__rq_alpha"": 44.03156348852136}",27.44,"1.9**2 * Matern(length_scale=4.29, nu=1.5) + WhiteKernel(noise_level=2.91e-12)"
exymax_tw2,GradientBoosting,0.009844471479160443,0.00847474078861905,0.8608629530350159,0.009844471479160443,,"{""learning_rate"": 0.06731961345185845, ""max_depth"": 3, ""max_features"": 0.9811986645112635, ""n_estimators"": 274, ""subsample"": 0.7145322799410668}",42.35,
exymax_tw2,RandomForest,0.010509609865327067,0.012130908465813654,1.154268200367315,0.010509609865327067,,"{""max_depth"": 3, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 686}",52.38,
exymax_tw2,XGBoost,0.011738357719494314,0.013775972278520768,1.1735859996533002,0.011738357719494314,,"{""colsample_bytree"": 0.980870361862916, ""learning_rate"": 0.082181215369422, ""max_depth"": 4, ""min_child_weight"": 4, ""n_estimators"": 385, ""subsample"": 0.8666741271367171}",24.31,
exymax_tw3,GradientBoosting,0.006016570757245166,0.005743412757159203,0.9545990546596622,0.006016570757245166,,"{""learning_rate"": 0.05158453956497575, ""max_depth"": 2, ""max_features"": 1.0, ""n_estimators"": 1500, ""subsample"": 0.8337045824403948}",37.81,
exymax_tw3,SVR,0.006591557343857968,0.004646214393113682,0.704873545163502,0.006591557343857968,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.0019004530265430027}",16.69,
exymax_tw3,GaussianProcess,0.00846522658962886,0.007454371415901467,0.8805873460060906,0.00846522658962886,,"{""gpr__amplitude"": 100.0, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 0.25476525846625475, ""gpr__n_restarts_optimizer"": 10, ""gpr__noise"": 1.300248619700011e-05, ""gpr__rq_alpha"": 0.10574394317144024}",30.91,"2.61**2 * Matern(length_scale=7.37, nu=1.5) + WhiteKernel(noise_level=2.91e-12)"
exymax_tw3,RandomForest,0.011376479509372081,0.009818012033779735,0.8630096881633319,0.011376479509372081,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 200}",49.19,
exymax_tw3,FlexibleMLP,0.011635115499089476,0.009993219084346168,0.8588843905441422,0.011635115499089476,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.007407252913290957, ""mlp__learning_rate_init"": 0.002363991255511292, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 142}",230.39,
exymax_tw3,XGBoost,0.014033108898523276,0.015072348176407237,1.0740562398110745,0.014033108898523276,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.2, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 1200, ""subsample"": 0.95}",24.2,
tfmmax_frame,SVR,2.0392791608860255,2.0486984258782583,1.0046189188674592,2.0392791608860255,,"{""svr__C"": 551.6615876649848, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.07028818985152292}",22.19,
tfmmax_frame,GaussianProcess,2.9436104947010318,2.1695494679837415,0.7370368708391536,2.9436104947010318,,"{""gpr__amplitude"": 100.0, ""gpr__kernel_type"": ""RQ"", ""gpr__length_scale"": 100.0, ""gpr__n_restarts_optimizer"": 10, ""gpr__noise"": 0.0001, ""gpr__rq_alpha"": 0.01}",36.06,"1.28**2 * RationalQuadratic(alpha=1e+03, length_scale=2.52) + WhiteKernel(noise_level=0.000586)"
tfmmax_frame,FlexibleMLP,8.439433068964945,5.974847417326105,0.7079678656731014,8.439433068964945,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 1.3836782850937756e-05, ""mlp__learning_rate_init"": 0.005091702207747155, ""mlp__n_layers"": 1, ""mlp__n_neurons"": 449}",1093.16,
tfmmax_frame,GradientBoosting,8.711715787738814,8.00699131867442,0.9191061225784879,8.711715787738814,,"{""learning_rate"": 0.06842804697785465, ""max_depth"": 3, ""max_features"": 1.0, ""n_estimators"": 1421, ""subsample"": 0.7014608136413895}",42.31,
tfmmax_frame,XGBoost,11.364511135325714,14.485676518032047,1.2746414118073615,11.364511135325714,,"{""colsample_bytree"": 0.7, ""learning_rate"": 0.0346980632957602, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 200, ""subsample"": 0.95}",30.84,
tfmmax_frame,RandomForest,11.596480403221278,8.664861275330887,0.747197509420527,11.596480403221278,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 200}",48.66,
tfmmax_tw1,SVR,7.542695824409187,10.800933259893343,1.4319725349310861,7.542695824409187,,"{""svr__C"": 666.0814900036285, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.1}",23.73,
tfmmax_tw1,GaussianProcess,8.029824980093872,11.684012971725563,1.4550769164571469,8.029824980093872,,"{""gpr__amplitude"": 100.0, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 3.1792120780075597, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 0.0001, ""gpr__rq_alpha"": 17.960291580114607}",32.73,"2.23**2 * Matern(length_scale=5.33, nu=1.5) + WhiteKernel(noise_level=1.77e-08)"
tfmmax_tw1,FlexibleMLP,8.985199982616617,10.87966430685878,1.210842755632298,8.985199982616617,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 3.491272406900459e-05, ""mlp__learning_rate_init"": 0.0002730247960373466, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 473}",866.71,
tfmmax_tw1,GradientBoosting,11.1005724512462,9.712332774355945,0.8749398120693852,11.1005724512462,,"{""learning_rate"": 0.07999999999999999, ""max_depth"": 1, ""max_features"": 0.9651557408069895, ""n_estimators"": 200, ""subsample"": 0.7}",36.56,
tfmmax_tw1,XGBoost,16.10165685674443,18.065752793127494,1.121980983314793,16.10165685674443,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.01585121486637115, ""max_depth"": 2, ""min_child_weight"": 3, ""n_estimators"": 386, ""subsample"": 0.7}",26.49,
tfmmax_tw1,RandomForest,19.651220877565326,15.383786063867792,0.782841237178835,19.651220877565326,,"{""max_depth"": 4, ""max_features"": 0.970019289317713, ""min_samples_leaf"": 2, ""min_samples_split"": 4, ""n_estimators"": 800}",63.65,
tfmmax_tw2,SVR,6.959305590142771,5.588544761719235,0.8030319533079429,6.959305590142771,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.04637768497983556}",25.57,
tfmmax_tw2,GaussianProcess,7.475551172119426,5.378969123003344,0.7195414758265014,7.475551172119426,,"{""gpr__amplitude"": 17.95581563154738, ""gpr__kernel_type"": ""RBF"", ""gpr__length_scale"": 2.9824264558361286, ""gpr__n_restarts_optimizer"": 8, ""gpr__noise"": 6.503681480336127e-10, ""gpr__rq_alpha"": 0.01}",35.85,2.91**2 * RBF(length_scale=3.1) + WhiteKernel(noise_level=6.5e-10)
tfmmax_tw2,FlexibleMLP,8.656458919718622,8.082172311071895,0.9336580218340141,8.656458919718622,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.00022389985002234367, ""mlp__learning_rate_init"": 0.01, ""mlp__n_layers"": 3, ""mlp__n_neurons"": 346}",561.46,
tfmmax_tw2,GradientBoosting,10.52753781109614,11.597200253851943,1.1016061363967145,10.52753781109614,,"{""learning_rate"": 0.059904198883548275, ""max_depth"": 1, ""max_features"": 1.0, ""n_estimators"": 271, ""subsample"": 0.7}",37.71,
tfmmax_tw2,XGBoost,11.263636317354088,11.364972024650141,1.0089967133562296,11.263636317354088,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.16120695138256938, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 1200, ""subsample"": 0.7}",33.48,
tfmmax_tw2,RandomForest,18.615390744650394,19.293710069425988,1.0364386294158519,18.615390744650394,,"{""max_depth"": 2, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 8, ""n_estimators"": 265}",58.39,
tfmmax_tw3,SVR,4.618428678644538,4.71572163761625,1.0210662469297387,4.618428678644538,,"{""svr__C"": 4960.755063873588, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.03679842296848954}",24.39,
tfmmax_tw3,FlexibleMLP,6.295836400213605,7.812494214954995,1.2408985428353783,6.295836400213605,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 1e-05, ""mlp__learning_rate_init"": 0.0011635165631175464, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 512}",1437.46,
tfmmax_tw3,GaussianProcess,7.6404119705562925,9.012541156698584,1.1795883770966853,7.6404119705562925,,"{""gpr__amplitude"": 20.481779258751512, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.4450186087390031, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 6.497442689729577e-05, ""gpr__rq_alpha"": 28.94596043054653}",34.76,"3.17**2 * Matern(length_scale=10.7, nu=1.5) + WhiteKernel(noise_level=4.61e-10)"
tfmmax_tw3,GradientBoosting,7.995038420951784,7.451197566125652,0.93197770589808,7.995038420951784,,"{""learning_rate"": 0.04808451650213672, ""max_depth"": 1, ""max_features"": 1.0, ""n_estimators"": 1500, ""subsample"": 0.7}",43.39,
tfmmax_tw3,RandomForest,15.926523986589647,16.847221149370895,1.0578090463152217,15.926523986589647,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 200}",46.67,
tfmmax_tw3,XGBoost,21.854043632597083,24.01399985830991,1.0988355410113246,21.854043632597083,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.01, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 1200, ""subsample"": 0.7}",32.63,
Code/models/width_optimization/3W_ml_models_per_output_models_B29_H45_it2_cv_detailed_per_output_B29_H45.csv 0 → 100644
output,model,cv_rmse,std_rmse,cv_rmse_dispersion,cv_mae,cv_r2,BEST_PARAMS,fit_time_sec,gpr_kernel
exymax_tw1,SVR,0.004229019080995354,0.0055063495070751985,1.3020394095217012,0.004229019080995354,,"{""svr__C"": 1.0, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.046156236602968304}",16.08,
exymax_tw1,GaussianProcess,0.005851731938621551,0.006478856413361054,1.1071690366745046,0.005851731938621551,,"{""gpr__amplitude"": 36.50732477272761, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 2.1966203410083738, ""gpr__n_restarts_optimizer"": 6, ""gpr__noise"": 6.548769760571814e-05, ""gpr__rq_alpha"": 9.123282902738351}",29.94,"1.79**2 * Matern(length_scale=4.01, nu=1.5) + WhiteKernel(noise_level=0.00728)"
exymax_tw1,GradientBoosting,0.006252634386023012,0.0076009797290310255,1.2156443604030442,0.006252634386023012,,"{""learning_rate"": 0.04671224593789277, ""max_depth"": 3, ""max_features"": 0.7950886215611752, ""n_estimators"": 200, ""subsample"": 0.7377809273490874}",35.94,
exymax_tw1,FlexibleMLP,0.007779438678081495,0.007174639577528376,0.9222567172799837,0.007779438678081495,,"{""mlp__activation"": ""tanh"", ""mlp__alpha"": 3.278043287004692e-05, ""mlp__learning_rate_init"": 0.001570703295827246, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 298}",443.25,
exymax_tw1,XGBoost,0.00805974636451403,0.007560423145307022,0.9380472788318178,0.00805974636451403,,"{""colsample_bytree"": 0.8519612519720081, ""learning_rate"": 0.01, ""max_depth"": 1, ""min_child_weight"": 3, ""n_estimators"": 508, ""subsample"": 0.7}",24.28,
exymax_tw1,RandomForest,0.008929757219389331,0.007844349024174394,0.878450424961367,0.008929757219389331,,"{""max_depth"": 4, ""max_features"": 0.8455436581243341, ""min_samples_leaf"": 2, ""min_samples_split"": 3, ""n_estimators"": 200}",49.01,
exymax_tw2,SVR,0.0066734692900195305,0.005038430215265448,0.7549941411734139,0.0066734692900195305,,"{""svr__C"": 1578.3879853890564, ""svr__epsilon"": 0.002061045404501547, ""svr__gamma"": 0.003800674800490907}",15.0,
exymax_tw2,GaussianProcess,0.007689103115198744,0.005971638204693803,0.7766365095156422,0.007689103115198744,,"{""gpr__amplitude"": 100.0, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 0.01, ""gpr__n_restarts_optimizer"": 10, ""gpr__noise"": 1e-12, ""gpr__rq_alpha"": 100.0}",28.14,"2.16**2 * Matern(length_scale=4.93, nu=1.5) + WhiteKernel(noise_level=2.91e-12)"
exymax_tw2,GradientBoosting,0.009211495941688455,0.007081558985831591,0.7687740439403103,0.009211495941688455,,"{""learning_rate"": 0.07997413456870542, ""max_depth"": 3, ""max_features"": 0.9368533920099097, ""n_estimators"": 1270, ""subsample"": 0.7523414329658031}",35.09,
exymax_tw2,FlexibleMLP,0.009557904906259062,0.009537169315960038,0.9978305297549628,0.009557904906259062,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.00031491471724663834, ""mlp__learning_rate_init"": 0.01, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 220}",392.43,
exymax_tw2,RandomForest,0.010831390623776459,0.01168146196938537,1.078482198190035,0.010831390623776459,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 200}",46.2,
exymax_tw2,XGBoost,0.012454439193692471,0.015229849021664165,1.2228450261636266,0.012454439193692471,,"{""colsample_bytree"": 0.9976035973570222, ""learning_rate"": 0.014517745479077087, ""max_depth"": 4, ""min_child_weight"": 5, ""n_estimators"": 1186, ""subsample"": 0.8131985957028044}",22.65,
exymax_tw3,GradientBoosting,0.005593916537144825,0.005142302919579239,0.9192670082639286,0.005593916537144825,,"{""learning_rate"": 0.03684766974705857, ""max_depth"": 3, ""max_features"": 1.0, ""n_estimators"": 215, ""subsample"": 0.7011500720177248}",34.2,
exymax_tw3,SVR,0.0062963264116623445,0.004759024742818583,0.7558414910008,0.0062963264116623445,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0013654394747832546, ""svr__gamma"": 0.0021271348889724258}",19.22,
exymax_tw3,GaussianProcess,0.007512802733200746,0.00734479734782131,0.9776374555081844,0.007512802733200746,,"{""gpr__amplitude"": 0.01, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 100.0, ""gpr__n_restarts_optimizer"": 10, ""gpr__noise"": 1e-12, ""gpr__rq_alpha"": 100.0}",30.41,"2.65**2 * Matern(length_scale=7.57, nu=1.5) + WhiteKernel(noise_level=2.91e-12)"
exymax_tw3,FlexibleMLP,0.009055439500266617,0.007072057375029928,0.7809734000013702,0.009055439500266617,,"{""mlp__activation"": ""tanh"", ""mlp__alpha"": 0.0002061045404501547, ""mlp__learning_rate_init"": 0.0011304216699488043, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 469}",341.41,
exymax_tw3,RandomForest,0.009652438192923274,0.009809059895359086,1.016226128497838,0.009652438192923274,,"{""max_depth"": 3, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 200}",46.5,
exymax_tw3,XGBoost,0.013475727094191974,0.016033473061455514,1.1898039303842778,0.013475727094191974,,"{""colsample_bytree"": 0.7846006516119286, ""learning_rate"": 0.016399924298288307, ""max_depth"": 1, ""min_child_weight"": 3, ""n_estimators"": 371, ""subsample"": 0.9323419651830324}",26.2,
tfmmax_frame,SVR,2.3974399604839762,1.959182535486366,0.8171977475051603,2.3974399604839762,,"{""svr__C"": 4933.873134895896, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.07137093922408673}",24.86,
tfmmax_frame,GaussianProcess,2.714089322952958,2.242434736884514,0.826219947118292,2.714089322952958,,"{""gpr__amplitude"": 0.015403321021261395, ""gpr__kernel_type"": ""RQ"", ""gpr__length_scale"": 34.65831680540837, ""gpr__n_restarts_optimizer"": 6, ""gpr__noise"": 7.118185950660874e-10, ""gpr__rq_alpha"": 0.02398287212860252}",31.97,"1.28**2 * RationalQuadratic(alpha=1e+03, length_scale=2.51) + WhiteKernel(noise_level=1.73e-12)"
tfmmax_frame,FlexibleMLP,7.63200167657517,5.869950434948158,0.7691233157042852,7.63200167657517,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.01, ""mlp__learning_rate_init"": 0.002015433123908408, ""mlp__n_layers"": 1, ""mlp__n_neurons"": 465}",617.1,
tfmmax_frame,GradientBoosting,8.52271499254402,9.38658819924029,1.1013612689679306,8.52271499254402,,"{""learning_rate"": 0.011365945734435128, ""max_depth"": 3, ""max_features"": 1.0, ""n_estimators"": 1381, ""subsample"": 0.9}",44.69,
tfmmax_frame,XGBoost,10.62340703125,14.114887575281186,1.3286592082709987,10.62340703125,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.2, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 1200, ""subsample"": 0.95}",31.27,
tfmmax_frame,RandomForest,11.168873801686518,9.157523474114466,0.8199146697074924,11.168873801686518,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 200}",48.56,
tfmmax_tw1,SVR,7.652845915635642,10.37041098985099,1.3551051601160622,7.652845915635642,,"{""svr__C"": 795.2216848384079, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.09197567914521956}",20.95,
tfmmax_tw1,GaussianProcess,8.250514046299523,11.471959184941232,1.3904538699726927,8.250514046299523,,"{""gpr__amplitude"": 24.214602713514846, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.5879870776303349, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 0.0001, ""gpr__rq_alpha"": 79.42605022685764}",32.99,"2.5**2 * Matern(length_scale=5.91, nu=1.5) + WhiteKernel(noise_level=0.00144)"
tfmmax_tw1,FlexibleMLP,8.938100233761647,9.417712218224466,1.0536592756759644,8.938100233761647,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 5.648543309228537e-05, ""mlp__learning_rate_init"": 0.009203495771022882, ""mlp__n_layers"": 2, ""mlp__n_neurons"": 422}",777.42,
tfmmax_tw1,GradientBoosting,12.957986239970035,13.54019338536944,1.044930372252097,12.957986239970035,,"{""learning_rate"": 0.0779160860330295, ""max_depth"": 3, ""max_features"": 0.953651983306168, ""n_estimators"": 1500, ""subsample"": 0.7}",45.13,
tfmmax_tw1,XGBoost,14.46240105567508,15.950183586739087,1.1028724431950527,14.46240105567508,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.01, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 430, ""subsample"": 0.7}",33.77,
tfmmax_tw1,RandomForest,18.406801941403202,14.370576049341677,0.7807209582136769,18.406801941403202,,"{""max_depth"": 3, ""max_features"": 0.9702425330012503, ""min_samples_leaf"": 2, ""min_samples_split"": 3, ""n_estimators"": 779}",60.08,
tfmmax_tw2,GaussianProcess,5.027021324274252,4.2418841516560795,0.8438166218179863,5.027021324274252,,"{""gpr__amplitude"": 100.0, ""gpr__kernel_type"": ""RQ"", ""gpr__length_scale"": 0.025993285324594738, ""gpr__n_restarts_optimizer"": 3, ""gpr__noise"": 1e-12, ""gpr__rq_alpha"": 1.186115086213978}",33.51,"4.28**2 * RationalQuadratic(alpha=1.17, length_scale=4.78) + WhiteKernel(noise_level=1e-12)"
tfmmax_tw2,SVR,5.862839928106686,5.291769702659648,0.9025949484465191,5.862839928106686,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.04709467712015713}",23.33,
tfmmax_tw2,FlexibleMLP,6.171856296955771,7.771933595862366,1.2592538163430382,6.171856296955771,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 1e-05, ""mlp__learning_rate_init"": 0.01, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 257}",831.27,
tfmmax_tw2,GradientBoosting,11.642035050627534,10.536653353084676,0.9050525365422881,11.642035050627534,,"{""learning_rate"": 0.012472321853800278, ""max_depth"": 2, ""max_features"": 0.9777167775608355, ""n_estimators"": 999, ""subsample"": 0.7}",43.35,
tfmmax_tw2,XGBoost,16.85675057067871,18.725506184830323,1.1108609637614382,16.85675057067871,,"{""colsample_bytree"": 0.8885493593965701, ""learning_rate"": 0.2, ""max_depth"": 4, ""min_child_weight"": 4, ""n_estimators"": 1200, ""subsample"": 0.7}",35.81,
tfmmax_tw2,RandomForest,17.814732862203698,18.553598093735843,1.0414749543115376,17.814732862203698,,"{""max_depth"": 4, ""max_features"": 0.9567985675665244, ""min_samples_leaf"": 2, ""min_samples_split"": 3, ""n_estimators"": 636}",56.94,
tfmmax_tw3,SVR,3.643535103601514,4.189429125420874,1.1498253773594118,3.643535103601514,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.030258335459870122}",25.17,
tfmmax_tw3,GaussianProcess,6.942431413644479,8.961094566895463,1.2907717819557505,6.942431413644479,,"{""gpr__amplitude"": 10.916901703919404, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.125949514996073, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 2.8219608844587792e-05, ""gpr__rq_alpha"": 9.083282530661542}",35.53,"3.31**2 * Matern(length_scale=11.2, nu=1.5) + WhiteKernel(noise_level=1.83e-09)"
tfmmax_tw3,GradientBoosting,8.281638050393527,10.80194174006152,1.3043242984457928,8.281638050393527,,"{""learning_rate"": 0.07999999999999999, ""max_depth"": 1, ""max_features"": 1.0, ""n_estimators"": 1500, ""subsample"": 0.9}",42.71,
tfmmax_tw3,FlexibleMLP,12.761616050861026,14.844805803387377,1.1632387108516558,12.761616050861026,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 1.9997594991336804e-05, ""mlp__learning_rate_init"": 0.00023620465911213193, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 129}",832.74,
tfmmax_tw3,RandomForest,16.428881849079236,16.97840956192206,1.0334488809336482,16.428881849079236,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 780}",58.17,
tfmmax_tw3,XGBoost,36.936319928995765,32.15531963094452,0.870561000466696,36.936319928995765,,"{""colsample_bytree"": 0.9522728648824218, ""learning_rate"": 0.2, ""max_depth"": 4, ""min_child_weight"": 8, ""n_estimators"": 1200, ""subsample"": 0.776615136458398}",36.98,
Code/models/width_optimization/3W_ml_models_per_output_models_B34_H45_it0_cv_detailed_per_output_B34_H45.csv 0 → 100644
output,model,cv_rmse,std_rmse,cv_rmse_dispersion,cv_mae,cv_r2,BEST_PARAMS,fit_time_sec,gpr_kernel
exymax_tw1,GradientBoosting,0.007508034631569018,0.007904693272151635,1.0528312214910127,0.007508034631569018,,"{""learning_rate"": 0.013992700494766131, ""max_depth"": 1, ""max_features"": 0.7284173699827374, ""n_estimators"": 653, ""subsample"": 0.7783052950286513}",36.12,
exymax_tw1,GaussianProcess,0.008965438195083678,0.01067669841214782,1.1908730147738384,0.008965438195083678,,"{""gpr__amplitude"": 15.783879853890564, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.2778531518898433, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 1.7014397704982245e-05, ""gpr__rq_alpha"": 7.38115974661544}",33.99,"1.42**2 * Matern(length_scale=2.81, nu=1.5) + WhiteKernel(noise_level=1.7e-05)"
exymax_tw1,SVR,0.009086246383048068,0.01219869792053604,1.3425453599073405,0.009086246383048068,,"{""svr__C"": 1774.409531726007, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.0003435335635531392}",15.22,
exymax_tw1,FlexibleMLP,0.011511466180902444,0.01076413995310937,0.9350798398701905,0.011511466180902444,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.004908692925451187, ""mlp__learning_rate_init"": 0.0014746491136985753, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 512}",443.41,
exymax_tw1,RandomForest,0.011778301577482815,0.010989640238554827,0.9330411661019351,0.011778301577482815,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 518}",47.63,
exymax_tw1,XGBoost,0.01312093662956543,0.014243942092985058,1.085588818475745,0.01312093662956543,,"{""colsample_bytree"": 0.8346714170033936, ""learning_rate"": 0.020547616038239954, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 200, ""subsample"": 0.7085159023151912}",24.96,
exymax_tw2,SVR,0.009186565415790389,0.012037200008128898,1.3103047181745069,0.009186565415790389,,"{""svr__C"": 7657.665720689394, ""svr__epsilon"": 0.0001005489514731489, ""svr__gamma"": 0.002834946185340044}",16.85,
exymax_tw2,GradientBoosting,0.011101732380380726,0.011803399000019001,1.0632033448111466,0.011101732380380726,,"{""learning_rate"": 0.05273132779622563, ""max_depth"": 2, ""max_features"": 0.810648094851077, ""n_estimators"": 1130, ""subsample"": 0.8807704145013373}",37.97,
exymax_tw2,GaussianProcess,0.012796597797493437,0.010452821793440219,0.8168438173064788,0.012796597797493437,,"{""gpr__amplitude"": 17.76576664980768, ""gpr__kernel_type"": ""RBF"", ""gpr__length_scale"": 2.467108843522573, ""gpr__n_restarts_optimizer"": 8, ""gpr__noise"": 1.5290392171324112e-08, ""gpr__rq_alpha"": 0.024089076834871728}",28.83,1**2 * RBF(length_scale=1.22) + WhiteKernel(noise_level=1.53e-08)
exymax_tw2,FlexibleMLP,0.01461282110379854,0.019660689333604663,1.3454410475533674,0.01461282110379854,,"{""mlp__activation"": ""tanh"", ""mlp__alpha"": 0.0002061045404501547, ""mlp__learning_rate_init"": 0.0011304216699488043, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 469}",303.37,
exymax_tw2,XGBoost,0.01493678517979607,0.011496435665127223,0.7696726923995424,0.01493678517979607,,"{""colsample_bytree"": 0.7, ""learning_rate"": 0.2, ""max_depth"": 1, ""min_child_weight"": 3, ""n_estimators"": 1200, ""subsample"": 0.7526961509027138}",22.86,
exymax_tw2,RandomForest,0.015892240448707212,0.015409939520257095,0.9696517976803358,0.015892240448707212,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 800}",48.2,
exymax_tw3,GradientBoosting,0.0068603803201981095,0.004414078348347289,0.6434159831272768,0.0068603803201981095,,"{""learning_rate"": 0.06837225459225127, ""max_depth"": 1, ""max_features"": 1.0, ""n_estimators"": 665, ""subsample"": 0.7432434647174244}",35.19,
exymax_tw3,SVR,0.0072084422253192,0.005313676318375109,0.7371462727010776,0.0072084422253192,,"{""svr__C"": 1578.3879853890564, ""svr__epsilon"": 0.002061045404501547, ""svr__gamma"": 0.003800674800490907}",21.48,
exymax_tw3,GaussianProcess,0.010158167324400575,0.008194685029213286,0.8067090024722395,0.010158167324400575,,"{""gpr__amplitude"": 1.8905202462804347, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 0.16553337581105398, ""gpr__n_restarts_optimizer"": 2, ""gpr__noise"": 6.4164097958274716e-12, ""gpr__rq_alpha"": 0.06538655052677575}",35.8,"2.56**2 * Matern(length_scale=7.45, nu=1.5) + WhiteKernel(noise_level=6.42e-12)"
exymax_tw3,XGBoost,0.012042634815090896,0.009464908916341526,0.785950006927125,0.012042634815090896,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.2, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 1200, ""subsample"": 0.95}",29.02,
exymax_tw3,RandomForest,0.012076718352064784,0.008436319552614164,0.698560594581705,0.012076718352064784,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 800}",52.29,
exymax_tw3,FlexibleMLP,0.012640184161443066,0.012672127279905014,1.0025271086286374,0.012640184161443066,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 1.5674494052001125e-05, ""mlp__learning_rate_init"": 0.01, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 287}",455.0,
tfmmax_frame,SVR,1.7177103097723787,1.8549725916653637,1.0799100297134354,1.7177103097723787,,"{""svr__C"": 6533.142258976154, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.08195502077068523}",25.18,
tfmmax_frame,GaussianProcess,2.3066319983017376,2.48907822313391,1.0790963729656482,2.3066319983017376,,"{""gpr__amplitude"": 0.010340016434251914, ""gpr__kernel_type"": ""RQ"", ""gpr__length_scale"": 9.228497044562662, ""gpr__n_restarts_optimizer"": 3, ""gpr__noise"": 4.2590691354469774e-08, ""gpr__rq_alpha"": 0.1255623384550418}",35.49,"1.35**2 * RationalQuadratic(alpha=1e+03, length_scale=2.53) + WhiteKernel(noise_level=2.14e-11)"
tfmmax_frame,FlexibleMLP,8.18038735776243,6.390427924186434,0.7811889149873213,8.18038735776243,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.01, ""mlp__learning_rate_init"": 0.01, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 64}",630.56,
tfmmax_frame,GradientBoosting,9.550923411654292,6.92351235236146,0.7249050226822262,9.550923411654292,,"{""learning_rate"": 0.01445543480320612, ""max_depth"": 3, ""max_features"": 1.0, ""n_estimators"": 1360, ""subsample"": 0.7068985927756344}",41.78,
tfmmax_frame,XGBoost,10.541346084594728,11.826216840881395,1.1218886796786223,10.541346084594728,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.035950346247878635, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 1200, ""subsample"": 0.7}",35.28,
tfmmax_frame,RandomForest,11.582235488182032,6.823694738756576,0.5891517872969473,11.582235488182032,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 3, ""n_estimators"": 200}",42.77,
tfmmax_tw1,GaussianProcess,12.729995556678173,16.82853875079846,1.3219595149010235,12.729995556678173,,"{""gpr__amplitude"": 34.811393285568194, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.7360857163205443, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 6.149981313878758e-06, ""gpr__rq_alpha"": 0.32262023280202834}",35.15,"1.98**2 * Matern(length_scale=4.65, nu=1.5) + WhiteKernel(noise_level=6.15e-06)"
tfmmax_tw1,FlexibleMLP,13.405050071924745,12.817471085208297,0.9561673411465235,13.405050071924745,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 3.496997144390274e-05, ""mlp__learning_rate_init"": 0.00842150015775888, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 64}",352.93,
tfmmax_tw1,SVR,13.738009879119556,12.72360876097295,0.9261609849554412,13.738009879119556,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.050680164302911924}",20.04,
tfmmax_tw1,GradientBoosting,13.827796033699281,12.858569152203142,0.9299073489995031,13.827796033699281,,"{""learning_rate"": 0.07999999999999999, ""max_depth"": 1, ""max_features"": 0.750559651224126, ""n_estimators"": 200, ""subsample"": 0.7}",41.75,
tfmmax_tw1,RandomForest,25.47573936701389,19.45145684157397,0.7635286482307089,25.47573936701389,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 3, ""n_estimators"": 800}",64.67,
tfmmax_tw1,XGBoost,25.690062352216245,30.584810364969467,1.190530795357566,25.690062352216245,,"{""colsample_bytree"": 0.7, ""learning_rate"": 0.027957206173288316, ""max_depth"": 3, ""min_child_weight"": 3, ""n_estimators"": 266, ""subsample"": 0.7}",32.33,
tfmmax_tw2,SVR,6.5390910243938345,8.13574592251621,1.2441707711616359,6.5390910243938345,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.0616129434310082}",28.65,
tfmmax_tw2,GaussianProcess,6.81441920590863,8.66756253640382,1.2719444276173046,6.81441920590863,,"{""gpr__amplitude"": 20.675526015954325, ""gpr__kernel_type"": ""RBF"", ""gpr__length_scale"": 2.836812679540316, ""gpr__n_restarts_optimizer"": 8, ""gpr__noise"": 1.4842370785333913e-09, ""gpr__rq_alpha"": 0.01}",32.65,1.82**2 * RBF(length_scale=2.56) + WhiteKernel(noise_level=1.48e-09)
tfmmax_tw2,FlexibleMLP,9.73179287183297,8.588557429364197,0.8825257116006162,9.73179287183297,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 5.224696919824155e-05, ""mlp__learning_rate_init"": 0.00012361158897221172, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 512}",1036.11,
tfmmax_tw2,GradientBoosting,12.271763650769099,11.588497017247537,0.9443220507690645,12.271763650769099,,"{""learning_rate"": 0.01641355720386235, ""max_depth"": 3, ""max_features"": 0.8115506082934923, ""n_estimators"": 1045, ""subsample"": 0.7516543174907444}",41.9,
tfmmax_tw2,XGBoost,13.523779657745362,14.29499506092316,1.0570266170179803,13.523779657745362,,"{""colsample_bytree"": 0.887915825167389, ""learning_rate"": 0.2, ""max_depth"": 1, ""min_child_weight"": 3, ""n_estimators"": 1200, ""subsample"": 0.95}",30.97,
tfmmax_tw2,RandomForest,15.467111003099669,16.836127759223398,1.0885114715895796,15.467111003099669,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 3, ""n_estimators"": 800}",57.52,
tfmmax_tw3,SVR,5.810063419475952,6.282300755421094,1.0812792050362396,5.810063419475952,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.031517031726350814}",24.37,
tfmmax_tw3,GaussianProcess,8.194182568818968,9.348840217597102,1.1409118773081663,8.194182568818968,,"{""gpr__amplitude"": 0.010340016434251914, ""gpr__kernel_type"": ""RQ"", ""gpr__length_scale"": 9.228497044562662, ""gpr__n_restarts_optimizer"": 3, ""gpr__noise"": 4.2590691354469774e-08, ""gpr__rq_alpha"": 0.1255623384550418}",31.45,"2.33**2 * RationalQuadratic(alpha=1e+03, length_scale=3.63) + WhiteKernel(noise_level=0.00128)"
tfmmax_tw3,GradientBoosting,9.648783568995752,16.944630171884164,1.7561415955408113,9.648783568995752,,"{""learning_rate"": 0.026368003019786375, ""max_depth"": 1, ""max_features"": 1.0, ""n_estimators"": 1500, ""subsample"": 0.8732512037085189}",42.39,
tfmmax_tw3,FlexibleMLP,15.49198343779429,14.863655389969127,0.9594417299535518,15.49198343779429,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.01, ""mlp__learning_rate_init"": 0.000262616892413053, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 512}",814.04,
tfmmax_tw3,RandomForest,17.4383407556424,16.72919746296358,0.9593342450055423,17.4383407556424,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 200}",47.22,
tfmmax_tw3,XGBoost,24.2414777004242,23.56897379821796,0.9722581308566651,24.2414777004242,,"{""colsample_bytree"": 0.7, ""learning_rate"": 0.07369185312936202, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 914, ""subsample"": 0.95}",31.4,
Code/models/width_optimization/3W_ml_models_per_output_models_B34_H45_it1_cv_detailed_per_output_B34_H45.csv 0 → 100644
output,model,cv_rmse,std_rmse,cv_rmse_dispersion,cv_mae,cv_r2,BEST_PARAMS,fit_time_sec,gpr_kernel
exymax_tw1,GradientBoosting,0.006809025144747611,0.009611717846807024,1.4116143856835912,0.006809025144747611,,"{""learning_rate"": 0.07917979609766448, ""max_depth"": 3, ""max_features"": 0.8923682916293771, ""n_estimators"": 1467, ""subsample"": 0.7010466119809067}",38.25,
exymax_tw1,GaussianProcess,0.008469174359771448,0.009446026401124477,1.1153420628571626,0.008469174359771448,,"{""gpr__amplitude"": 15.783879853890564, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.2778531518898433, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 1.7014397704982245e-05, ""gpr__rq_alpha"": 7.38115974661544}",29.49,"1.68**2 * Matern(length_scale=3.37, nu=1.5) + WhiteKernel(noise_level=1.7e-05)"
exymax_tw1,SVR,0.009345554423643853,0.009858738024440938,1.0549120552440154,0.009345554423643853,,"{""svr__C"": 1.9459673128256836, ""svr__epsilon"": 0.003789524241346744, ""svr__gamma"": 0.03938242797703584}",16.05,
exymax_tw1,FlexibleMLP,0.010417105745014674,0.009958498797248845,0.9559755887103953,0.010417105745014674,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.002841123150877317, ""mlp__learning_rate_init"": 0.0030378441442185035, ""mlp__n_layers"": 2, ""mlp__n_neurons"": 323}",398.66,
exymax_tw1,RandomForest,0.010579458288397464,0.010332710876409952,0.9766767441903788,0.010579458288397464,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 471}",50.07,
exymax_tw1,XGBoost,0.014146841736031215,0.014640946336809136,1.034926848691568,0.014146841736031215,,"{""colsample_bytree"": 0.8369227114969269, ""learning_rate"": 0.041005535247050494, ""max_depth"": 2, ""min_child_weight"": 3, ""n_estimators"": 200, ""subsample"": 0.7506268224237105}",24.35,
exymax_tw2,SVR,0.00930805333,0.01190469458692915,1.2789671658369355,0.00930805333,,"{""svr__C"": 1776.5766649807683, ""svr__epsilon"": 0.00032780432870046914, ""svr__gamma"": 0.006225026900894044}",15.3,
exymax_tw2,GradientBoosting,0.010661774631702066,0.011892424542842138,1.1154263669652908,0.010661774631702066,,"{""learning_rate"": 0.07956219027083677, ""max_depth"": 3, ""max_features"": 0.8702236524428513, ""n_estimators"": 1466, ""subsample"": 0.7131619449245821}",38.61,
exymax_tw2,GaussianProcess,0.011672418594352859,0.010390764518246286,0.8901980711412595,0.011672418594352859,,"{""gpr__amplitude"": 0.791104329380143, ""gpr__kernel_type"": ""RBF"", ""gpr__length_scale"": 0.01, ""gpr__n_restarts_optimizer"": 10, ""gpr__noise"": 4.526738948948404e-12, ""gpr__rq_alpha"": 0.2911260684256326}",31.07,1.02**2 * RBF(length_scale=1.28) + WhiteKernel(noise_level=2.91e-12)
exymax_tw2,FlexibleMLP,0.01174318142457347,0.008945373963883611,0.7617504695247881,0.01174318142457347,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 6.028650173490873e-05, ""mlp__learning_rate_init"": 0.008859791225565603, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 353}",415.35,
exymax_tw2,RandomForest,0.015554543972288903,0.014994424673330854,0.9639899890375491,0.015554543972288903,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 420}",45.65,
exymax_tw2,XGBoost,0.01672503280468969,0.012581178136321714,0.7522363802356166,0.01672503280468969,,"{""colsample_bytree"": 0.9674240969866565, ""learning_rate"": 0.16730141290526662, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 200, ""subsample"": 0.8876489097706326}",30.33,
exymax_tw3,GradientBoosting,0.0064598099969471285,0.004886210506349151,0.7564015828110034,0.0064598099969471285,,"{""learning_rate"": 0.07999999999999999, ""max_depth"": 2, ""max_features"": 1.0, ""n_estimators"": 1500, ""subsample"": 0.8985849113780995}",37.38,
exymax_tw3,SVR,0.006722135111899321,0.003892543347026375,0.5790635389246955,0.006722135111899321,,"{""svr__C"": 9213.884743379953, ""svr__epsilon"": 0.00010269561801572416, ""svr__gamma"": 0.0008423186569242777}",19.37,
exymax_tw3,GaussianProcess,0.008691576274848335,0.008193161626089294,0.9426554363675836,0.008691576274848335,,"{""gpr__amplitude"": 0.029234280542198857, ""gpr__kernel_type"": ""Matern52"", ""gpr__length_scale"": 0.02880449760360275, ""gpr__n_restarts_optimizer"": 10, ""gpr__noise"": 1.2730719410820075e-06, ""gpr__rq_alpha"": 46.538629890761214}",31.5,"2.22**2 * Matern(length_scale=4.73, nu=2.5) + WhiteKernel(noise_level=2.91e-12)"
exymax_tw3,FlexibleMLP,0.00911171191536458,0.009211404905070629,1.0109411920210012,0.00911171191536458,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.000877490586787064, ""mlp__learning_rate_init"": 0.01, ""mlp__n_layers"": 2, ""mlp__n_neurons"": 424}",446.42,
exymax_tw3,RandomForest,0.01113430944681164,0.008482267545648218,0.7618135265745783,0.01113430944681164,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 4, ""n_estimators"": 800}",48.35,
exymax_tw3,XGBoost,0.011415642683152592,0.009608349434540486,0.8416827419380126,0.011415642683152592,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.2, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 820, ""subsample"": 0.95}",28.14,
tfmmax_frame,SVR,1.6198986811268496,1.828107445033068,1.128531967049558,1.6198986811268496,,"{""svr__C"": 5251.84626050135, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.08533119498626765}",25.46,
tfmmax_frame,GaussianProcess,2.056564547611059,2.485330065714055,1.208486292638399,2.056564547611059,,"{""gpr__amplitude"": 100.0, ""gpr__kernel_type"": ""RQ"", ""gpr__length_scale"": 0.03384074056666871, ""gpr__n_restarts_optimizer"": 9, ""gpr__noise"": 2.3144960576914584e-06, ""gpr__rq_alpha"": 0.727538518541154}",35.06,"1.24**2 * RationalQuadratic(alpha=1e+03, length_scale=2.44) + WhiteKernel(noise_level=1.05e-09)"
tfmmax_frame,FlexibleMLP,5.683751754520663,5.700181636290896,1.0028906754692735,5.683751754520663,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 2.958717465055452e-05, ""mlp__learning_rate_init"": 0.009963477697300712, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 248}",1309.93,
tfmmax_frame,GradientBoosting,7.936544787196126,5.972434040252543,0.7525231949661213,7.936544787196126,,"{""learning_rate"": 0.07999999999999999, ""max_depth"": 3, ""max_features"": 1.0, ""n_estimators"": 243, ""subsample"": 0.7}",36.78,
tfmmax_frame,XGBoost,10.948153379911536,13.204151180662365,1.206061946929817,10.948153379911536,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.2, ""max_depth"": 3, ""min_child_weight"": 3, ""n_estimators"": 1200, ""subsample"": 0.95}",31.19,
tfmmax_frame,RandomForest,11.264480240802971,7.007585857788552,0.6220958009589466,11.264480240802971,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 200}",49.36,
tfmmax_tw1,GaussianProcess,11.907885871930329,15.551691134983011,1.3059993438165194,11.907885871930329,,"{""gpr__amplitude"": 8.654570330937167, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 0.7533673127714771, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 4.4798037400923e-05, ""gpr__rq_alpha"": 6.622711593650391}",35.68,"2.42**2 * Matern(length_scale=5.66, nu=1.5) + WhiteKernel(noise_level=1.98e-09)"
tfmmax_tw1,SVR,12.17385715686376,14.081170626993753,1.1566728971396407,12.17385715686376,,"{""svr__C"": 5205.98044563216, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.05264632125017639}",21.11,
tfmmax_tw1,FlexibleMLP,12.354961864931102,15.504946263241866,1.254957031251697,12.354961864931102,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.0004707265917238212, ""mlp__learning_rate_init"": 0.00040393102411379793, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 184}",734.71,
tfmmax_tw1,GradientBoosting,13.806724532232309,14.925255908256117,1.081013521593232,13.806724532232309,,"{""learning_rate"": 0.07728535894770015, ""max_depth"": 3, ""max_features"": 1.0, ""n_estimators"": 939, ""subsample"": 0.7}",41.14,
tfmmax_tw1,RandomForest,24.89042686786457,20.38569354865499,0.8190174341676104,24.89042686786457,,"{""max_depth"": 4, ""max_features"": 0.7745354191173535, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 200}",61.11,
tfmmax_tw1,XGBoost,25.95533524903129,29.56036364760756,1.1388935401522435,25.95533524903129,,"{""colsample_bytree"": 0.7, ""learning_rate"": 0.01, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 702, ""subsample"": 0.7}",29.93,
tfmmax_tw2,SVR,5.241528459075318,5.774788019902097,1.1017374159065147,5.241528459075318,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.045136451590377935}",21.81,
tfmmax_tw2,GaussianProcess,6.090738224817012,5.393611825356781,0.8855432012133184,6.090738224817012,,"{""gpr__amplitude"": 17.76576664980768, ""gpr__kernel_type"": ""RBF"", ""gpr__length_scale"": 2.467108843522573, ""gpr__n_restarts_optimizer"": 8, ""gpr__noise"": 1.5290392171324112e-08, ""gpr__rq_alpha"": 0.024089076834871728}",29.39,2.31**2 * RBF(length_scale=2.95) + WhiteKernel(noise_level=1.53e-08)
tfmmax_tw2,FlexibleMLP,7.026650529965898,5.3818658117921645,0.7659219408793174,7.026650529965898,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.01, ""mlp__learning_rate_init"": 0.01, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 335}",750.42,
tfmmax_tw2,XGBoost,11.943326936250575,11.912424944662725,0.9974126144454728,11.943326936250575,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.2, ""max_depth"": 1, ""min_child_weight"": 3, ""n_estimators"": 1200, ""subsample"": 0.95}",27.49,
tfmmax_tw2,GradientBoosting,12.1756257099223,11.101262980042891,0.9117611894882842,12.1756257099223,,"{""learning_rate"": 0.06973078696326637, ""max_depth"": 3, ""max_features"": 0.7361181023276857, ""n_estimators"": 449, ""subsample"": 0.7}",39.53,
tfmmax_tw2,RandomForest,16.68000477376286,17.037253718917817,1.0214177963376185,16.68000477376286,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 200}",47.73,
tfmmax_tw3,SVR,5.366395459026223,5.457789561277232,1.0170308176035154,5.366395459026223,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.025160457729386184}",32.14,
tfmmax_tw3,GradientBoosting,7.65334044347358,13.266100360454189,1.733373872289572,7.65334044347358,,"{""learning_rate"": 0.016434122459423398, ""max_depth"": 1, ""max_features"": 1.0, ""n_estimators"": 721, ""subsample"": 0.9}",43.26,
tfmmax_tw3,GaussianProcess,8.605220627336848,10.38637558385241,1.2069853910377653,8.605220627336848,,"{""gpr__amplitude"": 15.783879853890564, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.2778531518898433, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 1.7014397704982245e-05, ""gpr__rq_alpha"": 7.38115974661544}",36.06,"3.25**2 * Matern(length_scale=10.7, nu=1.5) + WhiteKernel(noise_level=4.93e-11)"
tfmmax_tw3,FlexibleMLP,9.618906649571457,9.92569415300114,1.0318942177740493,9.618906649571457,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 1e-05, ""mlp__learning_rate_init"": 0.0001, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 512}",2138.7,
tfmmax_tw3,RandomForest,16.215182989565868,16.9215107068276,1.0435596513290193,16.215182989565868,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 200}",47.44,
tfmmax_tw3,XGBoost,23.305043207146145,24.080487409571518,1.0332736650832552,23.305043207146145,,"{""colsample_bytree"": 0.7486389158913531, ""learning_rate"": 0.01, ""max_depth"": 1, ""min_child_weight"": 3, ""n_estimators"": 822, ""subsample"": 0.95}",36.22,
Code/models/width_optimization/3W_ml_models_per_output_models_B34_H45_it2_cv_detailed_per_output_B34_H45.csv 0 → 100644
output,model,cv_rmse,std_rmse,cv_rmse_dispersion,cv_mae,cv_r2,BEST_PARAMS,fit_time_sec,gpr_kernel
exymax_tw1,GradientBoosting,0.0069558746613128265,0.008104410756610498,1.1651174224983665,0.0069558746613128265,,"{""learning_rate"": 0.03555879201196898, ""max_depth"": 3, ""max_features"": 0.8012205366466763, ""n_estimators"": 202, ""subsample"": 0.7051058201441337}",34.89,
exymax_tw1,GaussianProcess,0.007441049161186323,0.009180812980178655,1.2338062524928894,0.007441049161186323,,"{""gpr__amplitude"": 15.783879853890564, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.2778531518898433, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 1.7014397704982245e-05, ""gpr__rq_alpha"": 7.38115974661544}",30.78,"1.87**2 * Matern(length_scale=3.84, nu=1.5) + WhiteKernel(noise_level=1.73e-10)"
exymax_tw1,SVR,0.007621459679135374,0.007653149541794809,1.0041579781293326,0.007621459679135374,,"{""svr__C"": 17.533923625783583, ""svr__epsilon"": 0.0015885231255949731, ""svr__gamma"": 0.009026618760368175}",15.1,
exymax_tw1,FlexibleMLP,0.010439842177778822,0.0109839893777305,1.0521221672402188,0.010439842177778822,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.0015246748254295628, ""mlp__learning_rate_init"": 0.007340675018434775, ""mlp__n_layers"": 2, ""mlp__n_neurons"": 364}",346.18,
exymax_tw1,RandomForest,0.010478762734452723,0.010385800459332564,0.9911285065349832,0.010478762734452723,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 624}",48.04,
exymax_tw1,XGBoost,0.013260539043173111,0.013585436421602808,1.0245010687251785,0.013260539043173111,,"{""colsample_bytree"": 0.7, ""learning_rate"": 0.01, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 1200, ""subsample"": 0.7392144385233376}",26.95,
exymax_tw2,SVR,0.009392736431541704,0.011237907083911864,1.196446548438632,0.009392736431541704,,"{""svr__C"": 1776.5766649807683, ""svr__epsilon"": 0.00032780432870046914, ""svr__gamma"": 0.006225026900894044}",15.04,
exymax_tw2,GradientBoosting,0.010997050812639983,0.012481135734662465,1.1349529930621653,0.010997050812639983,,"{""learning_rate"": 0.010300228496669202, ""max_depth"": 1, ""max_features"": 0.7621948857108515, ""n_estimators"": 1492, ""subsample"": 0.8469366002040214}",34.9,
exymax_tw2,GaussianProcess,0.012051350484914403,0.013109268214880735,1.0877841642138455,0.012051350484914403,,"{""gpr__amplitude"": 0.01, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 0.1488241070547169, ""gpr__n_restarts_optimizer"": 10, ""gpr__noise"": 1e-12, ""gpr__rq_alpha"": 100.0}",29.63,"1.14**2 * Matern(length_scale=1.84, nu=1.5) + WhiteKernel(noise_level=2.91e-12)"
exymax_tw2,FlexibleMLP,0.012307343344406325,0.007893441252580263,0.6413602864315818,0.012307343344406325,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 1.4736512702364387e-05, ""mlp__learning_rate_init"": 0.0001, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 512}",369.29,
exymax_tw2,RandomForest,0.014319267083882333,0.014696725215351402,1.0263601572104157,0.014319267083882333,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 579}",47.29,
exymax_tw2,XGBoost,0.01515907280987766,0.014042291251065738,0.926329164532792,0.01515907280987766,,"{""colsample_bytree"": 0.7782036668303586, ""learning_rate"": 0.03249320551697898, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 1106, ""subsample"": 0.92801769000751}",26.05,
exymax_tw3,GradientBoosting,0.005034276757456818,0.003514412459716598,0.6980967930519547,0.005034276757456818,,"{""learning_rate"": 0.01, ""max_depth"": 3, ""max_features"": 1.0, ""n_estimators"": 747, ""subsample"": 0.7}",35.47,
exymax_tw3,SVR,0.006296237047945571,0.004830715701949177,0.767238537107718,0.006296237047945571,,"{""svr__C"": 1578.3879853890564, ""svr__epsilon"": 0.002061045404501547, ""svr__gamma"": 0.003800674800490907}",17.39,
exymax_tw3,GaussianProcess,0.008190336464233212,0.0076702340908877875,0.9364980455178263,0.008190336464233212,,"{""gpr__amplitude"": 11.575963866376783, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 0.7691109823772634, ""gpr__n_restarts_optimizer"": 3, ""gpr__noise"": 0.0001, ""gpr__rq_alpha"": 100.0}",28.92,"3.13**2 * Matern(length_scale=9.33, nu=1.5) + WhiteKernel(noise_level=5.64e-10)"
exymax_tw3,RandomForest,0.010193548128196643,0.008630293453577216,0.8466427337214147,0.010193548128196643,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 200}",48.13,
exymax_tw3,XGBoost,0.010853912111176384,0.007577394040443946,0.6981256124822889,0.010853912111176384,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.2, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 1057, ""subsample"": 0.8890656210204055}",25.81,
exymax_tw3,FlexibleMLP,0.010955148497883795,0.010703873190850931,0.9770632678250412,0.010955148497883795,,"{""mlp__activation"": ""tanh"", ""mlp__alpha"": 3.278043287004692e-05, ""mlp__learning_rate_init"": 0.001570703295827246, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 298}",470.96,
tfmmax_frame,SVR,1.4133512773562407,1.8573305014888055,1.3141322551906947,1.4133512773562407,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.08077249054927321}",29.68,
tfmmax_frame,GaussianProcess,1.8486942937901014,2.7540891869645394,1.4897483030134973,1.8486942937901014,,"{""gpr__amplitude"": 17.76576664980768, ""gpr__kernel_type"": ""RBF"", ""gpr__length_scale"": 2.467108843522573, ""gpr__n_restarts_optimizer"": 8, ""gpr__noise"": 1.5290392171324112e-08, ""gpr__rq_alpha"": 0.024089076834871728}",30.55,1.26**2 * RBF(length_scale=2.52) + WhiteKernel(noise_level=1.53e-08)
tfmmax_frame,GradientBoosting,8.10710180643458,9.31358826326215,1.1488184662822398,8.10710180643458,,"{""learning_rate"": 0.047641007618007956, ""max_depth"": 3, ""max_features"": 0.9508947725821285, ""n_estimators"": 1500, ""subsample"": 0.9}",42.53,
tfmmax_frame,FlexibleMLP,8.148642886232977,9.49114722105156,1.1647518922551787,8.148642886232977,,"{""mlp__activation"": ""tanh"", ""mlp__alpha"": 0.0021188154764215273, ""mlp__learning_rate_init"": 0.0005224513597711276, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 329}",1419.88,
tfmmax_frame,RandomForest,10.95435574017848,7.1266643777823555,0.6505781395836101,10.95435574017848,,"{""max_depth"": 4, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 4, ""n_estimators"": 756}",57.57,
tfmmax_frame,XGBoost,11.64398563639323,12.546760154399623,1.0775314008619845,11.64398563639323,,"{""colsample_bytree"": 0.7, ""learning_rate"": 0.011092607677102372, ""max_depth"": 3, ""min_child_weight"": 3, ""n_estimators"": 287, ""subsample"": 0.95}",32.28,
tfmmax_tw1,SVR,9.904810429702511,14.286240494147846,1.442353752809475,9.904810429702511,,"{""svr__C"": 6278.079477577696, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.04366160296709351}",22.68,
tfmmax_tw1,GaussianProcess,10.335652304504453,15.189332262007651,1.4696055763590152,10.335652304504453,,"{""gpr__amplitude"": 11.305780929686586, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 2.067622468772436, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 6.614542220512946e-05, ""gpr__rq_alpha"": 21.35467600216195}",34.76,"2.76**2 * Matern(length_scale=6.49, nu=1.5) + WhiteKernel(noise_level=3.79e-08)"
tfmmax_tw1,FlexibleMLP,10.846325441805526,12.775656826961027,1.177878802872647,10.846325441805526,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.0016451088947743175, ""mlp__learning_rate_init"": 0.0011785048656047042, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 364}",760.99,
tfmmax_tw1,GradientBoosting,14.172098436789822,12.957953759964047,0.9143285179508818,14.172098436789822,,"{""learning_rate"": 0.01, ""max_depth"": 3, ""max_features"": 0.7373126873729915, ""n_estimators"": 1500, ""subsample"": 0.7}",47.35,
tfmmax_tw1,RandomForest,23.280473878419816,19.89136197060897,0.8544225549054465,23.280473878419816,,"{""max_depth"": 3, ""max_features"": 0.8249900348299627, ""min_samples_leaf"": 2, ""min_samples_split"": 4, ""n_estimators"": 203}",46.95,
tfmmax_tw1,XGBoost,24.227021631919015,22.967043408098757,0.9479928551283315,24.227021631919015,,"{""colsample_bytree"": 0.8333862450661575, ""learning_rate"": 0.01, ""max_depth"": 1, ""min_child_weight"": 3, ""n_estimators"": 774, ""subsample"": 0.7}",32.39,
tfmmax_tw2,SVR,4.925661110804122,5.897415420767749,1.1972840372294689,4.925661110804122,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.0438571303505059}",25.65,
tfmmax_tw2,GaussianProcess,5.610625640375712,5.583943325892665,0.9952443245738883,5.610625640375712,,"{""gpr__amplitude"": 11.43090399913889, ""gpr__kernel_type"": ""RBF"", ""gpr__length_scale"": 0.4111275226173266, ""gpr__n_restarts_optimizer"": 8, ""gpr__noise"": 2.3803496533277463e-07, ""gpr__rq_alpha"": 0.0189866387491528}",32.08,2.77**2 * RBF(length_scale=3.28) + WhiteKernel(noise_level=5.09e-05)
tfmmax_tw2,FlexibleMLP,8.891510521789447,10.491754453912705,1.179974361859182,8.891510521789447,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.0026302390752166284, ""mlp__learning_rate_init"": 0.0001, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 64}",471.68,
tfmmax_tw2,GradientBoosting,11.87045636330548,11.925383423827155,1.0046272071469355,11.87045636330548,,"{""learning_rate"": 0.038879533295665424, ""max_depth"": 3, ""max_features"": 0.7685642451342399, ""n_estimators"": 1500, ""subsample"": 0.7990576468445683}",43.21,
tfmmax_tw2,XGBoost,14.950592505221898,12.77316535944774,0.8543584714108399,14.950592505221898,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.2, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 200, ""subsample"": 0.95}",34.91,
tfmmax_tw2,RandomForest,17.053730963126245,16.50933482375989,0.9680775930766438,17.053730963126245,,"{""max_depth"": 3, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 3, ""n_estimators"": 576}",56.09,
tfmmax_tw3,SVR,4.788463084439227,5.759921703064494,1.2028748267439204,4.788463084439227,,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.02380497870613261}",25.0,
tfmmax_tw3,GaussianProcess,7.66522428468168,9.938142207451458,1.2965233420908526,7.66522428468168,,"{""gpr__amplitude"": 22.97025895660376, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 0.8078489011439873, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 0.0001, ""gpr__rq_alpha"": 43.36368665888397}",29.71,"3.56**2 * Matern(length_scale=11.8, nu=1.5) + WhiteKernel(noise_level=1.19e-11)"
tfmmax_tw3,GradientBoosting,9.12979004336856,12.112857385268503,1.3267399718645994,9.12979004336856,,"{""learning_rate"": 0.07999999999999999, ""max_depth"": 3, ""max_features"": 1.0, ""n_estimators"": 1500, ""subsample"": 0.8807126407999671}",40.5,
tfmmax_tw3,FlexibleMLP,9.403527887346119,9.28805956634121,0.9877207445558503,9.403527887346119,,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.000698576927401226, ""mlp__learning_rate_init"": 0.005016076319584632, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 160}",510.22,
tfmmax_tw3,XGBoost,21.075089218478738,24.204434469839352,1.1484855043278674,21.075089218478738,,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.06490395176010952, ""max_depth"": 4, ""min_child_weight"": 3, ""n_estimators"": 200, ""subsample"": 0.7}",33.66,
tfmmax_tw3,RandomForest,25.715813671460438,25.9102161779016,1.0075596482742022,25.715813671460438,,"{""max_depth"": 4, ""max_features"": 0.9594580323857176, ""min_samples_leaf"": 2, ""min_samples_split"": 3, ""n_estimators"": 753}",61.83,
Code/models/width_optimization/5W_ml_models_per_output_models_B34_H60_it0_cv_detailed_per_output_B34_H60.csv 0 → 100644
output,model,cv_rmse,std_rmse,cv_rmse_dispersion,cv_mae,cv_r2,BEST_PARAMS,fit_time_sec,gpr_kernel
exymax_tw1,SVR,0.006909579832899348,0.001468727273692751,0.21256390536216646,0.005051085605149079,0.9387908754824792,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.0010180088736034272}",18.92,
exymax_tw1,GaussianProcess,0.00794030458855636,0.0018073495333612102,0.22761715412856817,0.005694088026374252,0.9230394554121559,"{""gpr__amplitude"": 100.0, ""gpr__kernel_type"": ""RQ"", ""gpr__length_scale"": 100.0, ""gpr__n_restarts_optimizer"": 10, ""gpr__noise"": 0.0001, ""gpr__rq_alpha"": 0.01}",32.46,"5.55**2 * RationalQuadratic(alpha=0.609, length_scale=7.55) + WhiteKernel(noise_level=0.01)"
exymax_tw1,GradientBoosting,0.008398412873777383,0.0028528159372103955,0.339685126235914,0.00537057167705234,0.914397733498862,"{""learning_rate"": 0.1, ""max_depth"": 2, ""max_features"": 1.0, ""n_estimators"": 300, ""subsample"": 0.6}",51.05,
exymax_tw1,FlexibleMLP,0.00876519311620096,0.0021898666299134005,0.24983666656080933,0.006187883067767992,0.8944138370578545,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.001735333011994081, ""mlp__learning_rate_init"": 0.01, ""mlp__n_layers"": 3, ""mlp__n_neurons"": 455}",1072.55,
exymax_tw1,XGBoost,0.009333162022967766,0.003155625838407708,0.33810897428353864,0.006108059937772126,0.8924114747823533,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.02723177415415942, ""max_depth"": 2, ""min_child_weight"": 3, ""n_estimators"": 1600, ""subsample"": 0.6}",30.32,
exymax_tw1,RandomForest,0.011709277381178756,0.0035459794187865353,0.30283503442204446,0.008078163985899726,0.8356564338418935,"{""max_depth"": 10, ""max_features"": 0.9123893698842485, ""min_samples_leaf"": 2, ""min_samples_split"": 3, ""n_estimators"": 369}",61.01,
exymax_tw2,GaussianProcess,0.0050817056932493995,0.0011183460845988723,0.22007297393953706,0.0038224232194936465,0.9639561990466277,"{""gpr__amplitude"": 0.040820825836771546, ""gpr__kernel_type"": ""Matern52"", ""gpr__length_scale"": 9.158165841765154, ""gpr__n_restarts_optimizer"": 10, ""gpr__noise"": 3.531646379168814e-11, ""gpr__rq_alpha"": 0.01828188375772989}",28.49,"3.2**2 * Matern(length_scale=6.89, nu=2.5) + WhiteKernel(noise_level=2.91e-12)"
exymax_tw2,SVR,0.0054193466948799,0.0011639071067601804,0.21476889601099308,0.004123921445722512,0.9578676438676496,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0007750499834012853, ""svr__gamma"": 0.0029366425713693257}",21.92,
exymax_tw2,GradientBoosting,0.00675006190090367,0.0014231353915165183,0.21083293937289596,0.004756776285185363,0.9347983990066971,"{""learning_rate"": 0.0176178106744792, ""max_depth"": 3, ""max_features"": 1.0, ""n_estimators"": 1145, ""subsample"": 0.6}",51.14,
exymax_tw2,XGBoost,0.0070705209986582805,0.002142018577661821,0.3029505998310868,0.005327215397588313,0.9293235828925838,"{""colsample_bytree"": 0.93069348088971, ""learning_rate"": 0.027472631066427375, ""max_depth"": 2, ""min_child_weight"": 5, ""n_estimators"": 1444, ""subsample"": 0.6667856006121875}",27.37,
exymax_tw2,FlexibleMLP,0.0073017324971005925,0.0015092704698481646,0.20670032358039314,0.005392448598353832,0.9248945746497499,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.0015246748254295628, ""mlp__learning_rate_init"": 0.007340675018434775, ""mlp__n_layers"": 2, ""mlp__n_neurons"": 364}",868.72,
exymax_tw2,RandomForest,0.008037990681691963,0.001653536593876323,0.20571516680686927,0.00585254848605103,0.91283895236371,"{""max_depth"": 8, ""max_features"": 1.0, ""min_samples_leaf"": 1, ""min_samples_split"": 2, ""n_estimators"": 300}",56.74,
exymax_tw3,XGBoost,0.010799275712516048,0.0035357672875923735,0.32740781712745065,0.007555717284736632,0.8940569611466745,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.07629708420913811, ""max_depth"": 2, ""min_child_weight"": 3, ""n_estimators"": 1600, ""subsample"": 1.0}",28.4,
exymax_tw3,GradientBoosting,0.011237770794919912,0.0032100254673832233,0.2856461059727549,0.00789313049475853,0.8922473078781218,"{""learning_rate"": 0.1, ""max_depth"": 2, ""max_features"": 1.0, ""n_estimators"": 300, ""subsample"": 0.6}",50.29,
exymax_tw3,SVR,0.013105833819153548,0.0038304598362135078,0.2922713570971329,0.008971519651018105,0.8649649185713502,"{""svr__C"": 2.4332324088196047, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.008600885164106386}",18.69,
exymax_tw3,RandomForest,0.013156969556575356,0.0035961221821104233,0.2733245042976646,0.009119961257622867,0.8572487672392171,"{""max_depth"": 9, ""max_features"": 0.8829073408400849, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 300}",61.79,
exymax_tw3,GaussianProcess,0.013626474193589144,0.003755556051037792,0.2756073212837897,0.00971318597653497,0.8421385253010293,"{""gpr__amplitude"": 15.783879853890564, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.2778531518898433, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 1.7014397704982245e-05, ""gpr__rq_alpha"": 7.38115974661544}",26.74,"4.32**2 * Matern(length_scale=10.5, nu=1.5) + WhiteKernel(noise_level=1.7e-05)"
exymax_tw3,FlexibleMLP,0.014283317933785636,0.005687272046079503,0.39817583508568966,0.009943328660600402,0.820999891879499,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.001001119716724729, ""mlp__learning_rate_init"": 0.0006203133023071587, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 169}",721.78,
exymax_tw4,GaussianProcess,0.006970917363062629,0.0018155504555093277,0.2604464177311201,0.004946057584075247,0.9483133962413064,"{""gpr__amplitude"": 15.783879853890564, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.2778531518898433, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 1.7014397704982245e-05, ""gpr__rq_alpha"": 7.38115974661544}",28.8,"4.2**2 * Matern(length_scale=13.2, nu=1.5) + WhiteKernel(noise_level=8.39e-09)"
exymax_tw4,SVR,0.007710155217270606,0.001964314385849321,0.2547697589082633,0.005439005599456771,0.9366870688690986,"{""svr__C"": 68.85667943971868, ""svr__epsilon"": 0.003460295555768169, ""svr__gamma"": 0.0033592003757729728}",20.84,
exymax_tw4,FlexibleMLP,0.008850028585337975,0.0027659088082693933,0.3125310592614053,0.006567318009686016,0.9152253733217812,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.0023566845765881227, ""mlp__learning_rate_init"": 0.005076817562404646, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 453}",990.77,
exymax_tw4,XGBoost,0.010816691048687797,0.003014825256228701,0.27871973440476866,0.008257579419070484,0.8687373678184764,"{""colsample_bytree"": 0.8482505284166545, ""learning_rate"": 0.009073199181766894, ""max_depth"": 2, ""min_child_weight"": 4, ""n_estimators"": 1600, ""subsample"": 0.7463766805799121}",30.54,
exymax_tw4,GradientBoosting,0.010822734409484632,0.0026389902999575865,0.24383766616732974,0.008155562349039342,0.8700938263115384,"{""learning_rate"": 0.01801350030024234, ""max_depth"": 2, ""max_features"": 1.0, ""n_estimators"": 1438, ""subsample"": 0.6}",49.48,
exymax_tw4,RandomForest,0.013793073948377841,0.003614517304105471,0.26205306501170195,0.010392478301809328,0.7859964227674017,"{""max_depth"": 10, ""max_features"": 0.8626013878906131, ""min_samples_leaf"": 2, ""min_samples_split"": 2, ""n_estimators"": 415}",60.18,
exymax_tw5,GaussianProcess,0.0037830003624570833,0.0013081718875982001,0.3458027391645646,0.0025122114603412056,0.948811433251854,"{""gpr__amplitude"": 0.05144459523422648, ""gpr__kernel_type"": ""Matern52"", ""gpr__length_scale"": 0.5518515046628641, ""gpr__n_restarts_optimizer"": 10, ""gpr__noise"": 1.0220522982722667e-09, ""gpr__rq_alpha"": 1.2916708943951782}",29.37,"2.7**2 * Matern(length_scale=5.93, nu=2.5) + WhiteKernel(noise_level=2.91e-12)"
exymax_tw5,SVR,0.003853996322393143,0.001032684805772033,0.2679516842742564,0.0027405990222868775,0.9450232363992608,"{""svr__C"": 9985.908627834686, ""svr__epsilon"": 0.0008820066205493845, ""svr__gamma"": 0.0015410545972554435}",19.24,
exymax_tw5,FlexibleMLP,0.004992904216117507,0.0013784819199282087,0.2760881964205032,0.0035004677597077435,0.9097070684293966,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.0015246748254295628, ""mlp__learning_rate_init"": 0.007340675018434775, ""mlp__n_layers"": 2, ""mlp__n_neurons"": 364}",626.74,
exymax_tw5,GradientBoosting,0.006352486609053895,0.001777777880615626,0.27985543142772534,0.004509645914832492,0.8547355885176572,"{""learning_rate"": 0.024623436201452076, ""max_depth"": 2, ""max_features"": 0.9494665905849939, ""n_estimators"": 305, ""subsample"": 0.7386607063694515}",47.9,
exymax_tw5,XGBoost,0.006569885123152498,0.0017666656112167178,0.2689035771707679,0.004486545839157367,0.8311739482798522,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.12214329505242844, ""max_depth"": 2, ""min_child_weight"": 6, ""n_estimators"": 854, ""subsample"": 1.0}",29.21,
exymax_tw5,RandomForest,0.007466510866077735,0.0020066940560894385,0.26875927619771667,0.005532578131745413,0.8004590088916383,"{""max_depth"": 5, ""max_features"": 0.9215563703839187, ""min_samples_leaf"": 1, ""min_samples_split"": 2, ""n_estimators"": 334}",62.7,
tfmmax_frame,SVR,7.151630091098868,1.9967950483310193,0.2792083794736937,5.268817804342068,0.6602296126083903,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.004510192421130848}",21.5,
tfmmax_frame,GradientBoosting,7.9257045727294155,2.313226588071266,0.2918638421157614,5.794763544863482,0.587520426455331,"{""learning_rate"": 0.023596750540178926, ""max_depth"": 4, ""max_features"": 0.9534955079619357, ""n_estimators"": 794, ""subsample"": 0.6}",58.34,
tfmmax_frame,GaussianProcess,8.203473920199084,2.405639904046273,0.29324648648214297,6.005190847701724,0.5488323352034228,"{""gpr__amplitude"": 15.750779073711453, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 7.875142104361282, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 0.0001, ""gpr__rq_alpha"": 21.894021803614084}",35.03,"1.59**2 * Matern(length_scale=2.99, nu=1.5) + WhiteKernel(noise_level=0.000101)"
tfmmax_frame,XGBoost,8.593598039149375,1.6520267902763268,0.19223924399887923,6.428150175380706,0.49428436649651,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.047114507864310894, ""max_depth"": 2, ""min_child_weight"": 1, ""n_estimators"": 1600, ""subsample"": 0.6}",32.14,
tfmmax_frame,RandomForest,8.906157059483423,2.521143185689552,0.28307868015924975,6.652783959878478,0.48318669342457304,"{""max_depth"": 10, ""max_features"": 0.6921363558782272, ""min_samples_leaf"": 1, ""min_samples_split"": 3, ""n_estimators"": 881}",79.23,
tfmmax_frame,FlexibleMLP,10.96745093793093,3.357627124689689,0.3061447134518136,8.931915487972471,-0.001195097805665013,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.00034555783991834936, ""mlp__learning_rate_init"": 0.009999949058523945, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 64}",921.68,
tfmmax_tw1,SVR,10.678883671281595,3.207130469147813,0.3003245065561163,7.616084456321938,0.9505068595820457,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.00855803902057128}",24.35,
tfmmax_tw1,GradientBoosting,10.844094255839392,4.2513376014527235,0.3920417419060553,7.616535316033603,0.944353874335988,"{""learning_rate"": 0.00870310933652953, ""max_depth"": 2, ""max_features"": 0.8928703589828197, ""n_estimators"": 2500, ""subsample"": 0.6}",68.21,
tfmmax_tw1,FlexibleMLP,11.129258711033822,3.1100138902249594,0.27944483734047937,7.6883288930641145,0.9438379373361808,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.0016464672737944754, ""mlp__learning_rate_init"": 0.002845556480358214, ""mlp__n_layers"": 3, ""mlp__n_neurons"": 64}",537.6,
tfmmax_tw1,XGBoost,11.930352974882975,3.404385778981379,0.2853549921069936,8.358507209408582,0.9257813918826276,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.3, ""max_depth"": 2, ""min_child_weight"": 2, ""n_estimators"": 300, ""subsample"": 1.0}",30.06,
tfmmax_tw1,GaussianProcess,12.331547083375108,2.890791297265983,0.2344224352160347,8.70911258104879,0.9317320455061168,"{""gpr__amplitude"": 100.0, ""gpr__kernel_type"": ""RQ"", ""gpr__length_scale"": 100.0, ""gpr__n_restarts_optimizer"": 3, ""gpr__noise"": 2.500482020154326e-06, ""gpr__rq_alpha"": 0.01}",36.75,"14.8**2 * RationalQuadratic(alpha=0.363, length_scale=12.4) + WhiteKernel(noise_level=0.00733)"
tfmmax_tw1,RandomForest,14.693156196566566,4.656122214789854,0.31689054090896257,10.154434249222756,0.9048103549586267,"{""max_depth"": 8, ""max_features"": 0.9728485987488096, ""min_samples_leaf"": 2, ""min_samples_split"": 3, ""n_estimators"": 1199}",86.69,
tfmmax_tw2,SVR,6.966967428018196,1.0482725364977052,0.15046324635909686,5.421537916996275,0.978290302145638,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.020227878169101737}",27.72,
tfmmax_tw2,GaussianProcess,7.14843294805698,1.2423525032134553,0.17379368488741856,5.5316929234358625,0.9762624629643621,"{""gpr__amplitude"": 0.01, ""gpr__kernel_type"": ""RQ"", ""gpr__length_scale"": 100.0, ""gpr__n_restarts_optimizer"": 3, ""gpr__noise"": 1e-12, ""gpr__rq_alpha"": 0.01}",38.01,"5.39**2 * RationalQuadratic(alpha=0.616, length_scale=7.85) + WhiteKernel(noise_level=0.00357)"
tfmmax_tw2,FlexibleMLP,8.071075023078484,1.9695685401600287,0.24402803028447037,6.132783486936882,0.9711253792711858,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 3.2688387694106707e-05, ""mlp__learning_rate_init"": 0.01, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 363}",1453.26,
tfmmax_tw2,GradientBoosting,10.982184903115217,2.1140934419602897,0.1925020804703993,8.421299325584215,0.944694024254777,"{""learning_rate"": 0.07803597711561903, ""max_depth"": 2, ""max_features"": 0.8914824220750359, ""n_estimators"": 300, ""subsample"": 0.6997357810201609}",55.71,
tfmmax_tw2,XGBoost,11.224696986136014,2.949878056231894,0.26280246672808927,8.912962908163072,0.9424993399845997,"{""colsample_bytree"": 0.882579025092576, ""learning_rate"": 0.1561807146140436, ""max_depth"": 2, ""min_child_weight"": 5, ""n_estimators"": 1600, ""subsample"": 1.0}",36.28,
tfmmax_tw2,RandomForest,12.822169078809054,2.885854201629547,0.22506755166713105,9.585552557417166,0.9242098900822378,"{""max_depth"": 8, ""max_features"": 0.8322732390405245, ""min_samples_leaf"": 1, ""min_samples_split"": 2, ""n_estimators"": 840}",75.12,
tfmmax_tw3,SVR,8.789032469207994,2.4822411470585086,0.28242484662048256,6.65868502656591,0.9816076407334267,"{""svr__C"": 9410.775849930273, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.009651789676656843}",23.9,
tfmmax_tw3,GaussianProcess,9.187215316840275,2.0927500546550237,0.22778937713792208,6.954885814708892,0.9786084175605261,"{""gpr__amplitude"": 2.9397976202716882, ""gpr__kernel_type"": ""RQ"", ""gpr__length_scale"": 0.2729554233267, ""gpr__n_restarts_optimizer"": 9, ""gpr__noise"": 5.507536733594563e-08, ""gpr__rq_alpha"": 2.3904526209366392}",38.73,"8.18**2 * RationalQuadratic(alpha=2.48, length_scale=9.39) + WhiteKernel(noise_level=0.0047)"
tfmmax_tw3,GradientBoosting,13.650262297030883,5.011666510357553,0.36714800062469555,9.809576474737469,0.9561506988628292,"{""learning_rate"": 0.007344321584192446, ""max_depth"": 3, ""max_features"": 1.0, ""n_estimators"": 1590, ""subsample"": 0.6110988884734156}",55.23,
tfmmax_tw3,XGBoost,13.886646673987581,4.334315503891498,0.3121211049468496,10.778339771633147,0.9544816823330926,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.3, ""max_depth"": 2, ""min_child_weight"": 3, ""n_estimators"": 1600, ""subsample"": 1.0}",33.57,
tfmmax_tw3,FlexibleMLP,16.05789362624527,3.3542302060168008,0.20888357365467877,12.710524159752593,0.9340578715710786,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.003119099371017779, ""mlp__learning_rate_init"": 0.0017306577413833222, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 364}",1272.23,
tfmmax_tw3,RandomForest,18.283225310721438,6.032839016384698,0.3299657972735801,13.359964448280625,0.9211763079217873,"{""max_depth"": 7, ""max_features"": 0.9694511768501948, ""min_samples_leaf"": 2, ""min_samples_split"": 4, ""n_estimators"": 854}",75.63,
tfmmax_tw4,SVR,5.273998789263655,1.4027376364930748,0.2659723091610573,3.864944478052468,0.980197985799357,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.011191848457721738}",27.5,
tfmmax_tw4,GaussianProcess,5.41891646773084,1.3559106829586844,0.25021804470192716,4.036457513496925,0.9791398598411879,"{""gpr__amplitude"": 15.783879853890564, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.2778531518898433, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 1.7014397704982245e-05, ""gpr__rq_alpha"": 7.38115974661544}",35.0,"7.02**2 * Matern(length_scale=24, nu=1.5) + WhiteKernel(noise_level=5.53e-11)"
tfmmax_tw4,GradientBoosting,9.297993543199516,1.6575312803525521,0.17826763082287345,6.9148366552249225,0.9381451921532976,"{""learning_rate"": 0.01540435174174516, ""max_depth"": 2, ""max_features"": 0.8649305707069168, ""n_estimators"": 2500, ""subsample"": 0.6}",62.4,
tfmmax_tw4,XGBoost,9.63002701311885,2.213537792306699,0.22985790063633546,7.3931869473743435,0.9309441265929947,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.07675655455721311, ""max_depth"": 2, ""min_child_weight"": 5, ""n_estimators"": 300, ""subsample"": 0.7223421207166119}",27.97,
tfmmax_tw4,FlexibleMLP,9.918200997602309,2.2316143458939925,0.2250019279134873,7.8044659545021275,0.9252656479290868,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.01, ""mlp__learning_rate_init"": 0.01, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 351}",1123.76,
tfmmax_tw4,RandomForest,12.519808608271884,2.121876597617115,0.16948155231503964,9.459712846974144,0.886561529703952,"{""max_depth"": 10, ""max_features"": 0.911834504738294, ""min_samples_leaf"": 1, ""min_samples_split"": 4, ""n_estimators"": 843}",75.24,
tfmmax_tw5,SVR,3.9229118380811663,1.16157917855654,0.2961012703065764,2.9156252520226476,0.9737012798689042,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.008212011769189398}",26.06,
tfmmax_tw5,GaussianProcess,4.060246958616142,1.295971753441305,0.3191854502079382,2.949907660520469,0.9718713761717247,"{""gpr__amplitude"": 0.01, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 0.01, ""gpr__n_restarts_optimizer"": 10, ""gpr__noise"": 0.0001, ""gpr__rq_alpha"": 0.01}",34.9,"6.01**2 * Matern(length_scale=20.6, nu=1.5) + WhiteKernel(noise_level=2.91e-12)"
tfmmax_tw5,FlexibleMLP,7.854642982290121,2.368854968944864,0.30158658697612684,6.174140968877871,0.8854262979579911,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.0013302996044098586, ""mlp__learning_rate_init"": 0.01, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 501}",1051.64,
tfmmax_tw5,GradientBoosting,8.2097945716198,1.703742953566521,0.2075256498446551,6.2609941405638585,0.879440929249818,"{""learning_rate"": 0.04725661660933369, ""max_depth"": 2, ""max_features"": 1.0, ""n_estimators"": 1496, ""subsample"": 0.6}",65.69,
tfmmax_tw5,XGBoost,8.50320522506179,1.3948926360853877,0.16404315774646627,6.726295518035888,0.8698728158722405,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.06680298841906204, ""max_depth"": 2, ""min_child_weight"": 1, ""n_estimators"": 586, ""subsample"": 0.6}",32.65,
tfmmax_tw5,RandomForest,10.806968925140554,2.3138555482397027,0.21410772662230165,8.63985801446538,0.7940428291749305,"{""max_depth"": 10, ""max_features"": 0.9228573439991256, ""min_samples_leaf"": 1, ""min_samples_split"": 2, ""n_estimators"": 1199}",91.89,
Code/models/width_optimization/5W_ml_models_per_output_models_B34_H60_it1_cv_detailed_per_output_B34_H60.csv 0 → 100644
output,model,cv_rmse,std_rmse,cv_rmse_dispersion,cv_mae,cv_r2,BEST_PARAMS,fit_time_sec,gpr_kernel
exymax_tw1,SVR,0.006503353982891545,0.0016733166016384376,0.25730055691885334,0.004795850696074186,0.9480929776752609,"{""svr__C"": 6823.003596004928, ""svr__epsilon"": 0.000844079154363363, ""svr__gamma"": 0.0004915228293583758}",21.55,
exymax_tw1,GaussianProcess,0.007313687465951828,0.0020743503678201467,0.28362578760400775,0.005291900740335189,0.9301499423757796,"{""gpr__amplitude"": 0.010340016434251914, ""gpr__kernel_type"": ""RQ"", ""gpr__length_scale"": 9.228497044562662, ""gpr__n_restarts_optimizer"": 3, ""gpr__noise"": 4.2590691354469774e-08, ""gpr__rq_alpha"": 0.1255623384550418}",32.26,"5.79**2 * RationalQuadratic(alpha=0.569, length_scale=7.77) + WhiteKernel(noise_level=0.01)"
exymax_tw1,XGBoost,0.008123675194495621,0.003440640275912072,0.42353247680844686,0.00530347094204934,0.9169341458481892,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.01699059180718313, ""max_depth"": 2, ""min_child_weight"": 1, ""n_estimators"": 1600, ""subsample"": 0.6}",32.59,
exymax_tw1,GradientBoosting,0.008329391327427743,0.0032486678942851787,0.3900246448486197,0.005416784537354479,0.9137387133085667,"{""learning_rate"": 0.054975090685582734, ""max_depth"": 2, ""max_features"": 1.0, ""n_estimators"": 300, ""subsample"": 0.6260163570329387}",63.71,
exymax_tw1,FlexibleMLP,0.00869242926653178,0.0025201091805081284,0.2899200100725852,0.006158556323690138,0.8951900280655403,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.0015246748254295628, ""mlp__learning_rate_init"": 0.007340675018434775, ""mlp__n_layers"": 2, ""mlp__n_neurons"": 364}",643.18,
exymax_tw1,RandomForest,0.011145770392690635,0.00336801869076167,0.3021790842713221,0.007491001794056498,0.8505958117127195,"{""max_depth"": 8, ""max_features"": 0.9696848688013859, ""min_samples_leaf"": 2, ""min_samples_split"": 4, ""n_estimators"": 1020}",62.79,
exymax_tw2,GaussianProcess,0.005175288000313258,0.001355713983974814,0.2619591380987403,0.003930023298248029,0.9634272451007215,"{""gpr__amplitude"": 0.9038591357349409, ""gpr__kernel_type"": ""Matern52"", ""gpr__length_scale"": 3.6501557994627607, ""gpr__n_restarts_optimizer"": 5, ""gpr__noise"": 3.2412265507088655e-12, ""gpr__rq_alpha"": 0.014281382695758474}",34.03,"3.29**2 * Matern(length_scale=7.02, nu=2.5) + WhiteKernel(noise_level=3.24e-12)"
exymax_tw2,SVR,0.005883606304671026,0.0013344806391647776,0.22681338112397603,0.004543351140587523,0.9525767047189229,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0011991360850500364, ""svr__gamma"": 0.0017300936198162379}",19.1,
exymax_tw2,GradientBoosting,0.006355616010011005,0.0017631515946733157,0.27741631840188263,0.004376078177608559,0.9428379168452035,"{""learning_rate"": 0.006034004103310313, ""max_depth"": 3, ""max_features"": 1.0, ""n_estimators"": 2500, ""subsample"": 0.6}",51.03,
exymax_tw2,XGBoost,0.0065746907401931995,0.0012791155019899999,0.1945514325366447,0.004766918974491237,0.9401959318000108,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.014503204521732394, ""max_depth"": 4, ""min_child_weight"": 4, ""n_estimators"": 734, ""subsample"": 0.6755459197531244}",28.07,
exymax_tw2,FlexibleMLP,0.007109631985182298,0.0024477620957169995,0.34428815736434165,0.0050954465928471785,0.9323122139639771,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.004774443242743466, ""mlp__learning_rate_init"": 0.005015906643367064, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 381}",1061.52,
exymax_tw2,RandomForest,0.007137003985460298,0.0017073642143572354,0.2392270226884453,0.0050014959723538146,0.9263777727895179,"{""max_depth"": 10, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 4, ""n_estimators"": 300}",64.7,
exymax_tw3,XGBoost,0.011013573528721066,0.00344371544014144,0.31267920726737425,0.007661595346904032,0.8870903297149664,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.012332964227841255, ""max_depth"": 2, ""min_child_weight"": 1, ""n_estimators"": 1600, ""subsample"": 0.6}",33.4,
exymax_tw3,GradientBoosting,0.011272462091644599,0.0038538792537674755,0.3418844279480041,0.007796680537328976,0.8889872654721852,"{""learning_rate"": 0.006017744203993281, ""max_depth"": 3, ""max_features"": 1.0, ""n_estimators"": 2500, ""subsample"": 0.6}",56.78,
exymax_tw3,SVR,0.012923403960431465,0.004307928102080536,0.333343143592078,0.008939866466547099,0.8602282858833765,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.00023702399897867961, ""svr__gamma"": 0.00016330753646600886}",18.74,
exymax_tw3,RandomForest,0.013119457980136834,0.003922240907931768,0.2989636396465565,0.00930122113956057,0.8501926946068096,"{""max_depth"": 10, ""max_features"": 1.0, ""min_samples_leaf"": 1, ""min_samples_split"": 2, ""n_estimators"": 300}",62.55,
exymax_tw3,GaussianProcess,0.013402171213075909,0.0037991420987431536,0.28347213584590664,0.009617026956924731,0.8448525031067646,"{""gpr__amplitude"": 0.01, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 0.01, ""gpr__n_restarts_optimizer"": 10, ""gpr__noise"": 0.0001, ""gpr__rq_alpha"": 0.01}",36.68,"4.33**2 * Matern(length_scale=10.6, nu=1.5) + WhiteKernel(noise_level=2.91e-12)"
exymax_tw3,FlexibleMLP,0.013491573257966622,0.005053338887811329,0.37455519761769734,0.009207460188627822,0.8376409082858582,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.01, ""mlp__learning_rate_init"": 0.0010175471586308853, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 512}",1260.81,
exymax_tw4,GaussianProcess,0.006769305695857214,0.0020325653227172714,0.3002620082531053,0.004797231634312929,0.9477528187559967,"{""gpr__amplitude"": 0.01, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 0.13251748163101026, ""gpr__n_restarts_optimizer"": 1, ""gpr__noise"": 4.323002328767807e-08, ""gpr__rq_alpha"": 76.11531739071764}",30.9,"4.3**2 * Matern(length_scale=13.5, nu=1.5) + WhiteKernel(noise_level=4.4e-08)"
exymax_tw4,SVR,0.007487237065078578,0.0019188382544815207,0.256281220669668,0.005444526899668071,0.934389186578286,"{""svr__C"": 9816.21006050226, ""svr__epsilon"": 0.0007026205523921609, ""svr__gamma"": 0.0011123179560004017}",21.25,
exymax_tw4,FlexibleMLP,0.008404286650936309,0.0029109009754088016,0.34635907796939586,0.006123279212398965,0.9183888562759067,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.0018606110480877869, ""mlp__learning_rate_init"": 0.004761260941337373, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 64}",922.75,
exymax_tw4,GradientBoosting,0.009978220139843558,0.0033307895059017066,0.3338059753363918,0.007640010207606629,0.8883773086274374,"{""learning_rate"": 0.021793511470937988, ""max_depth"": 2, ""max_features"": 1.0, ""n_estimators"": 1197, ""subsample"": 0.6}",53.67,
exymax_tw4,XGBoost,0.010291652891168866,0.0030681860400674082,0.2981237389671565,0.007857573703293822,0.8815524924923308,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.007545324726624907, ""max_depth"": 2, ""min_child_weight"": 1, ""n_estimators"": 1600, ""subsample"": 0.6}",36.24,
exymax_tw4,RandomForest,0.01296832176573334,0.0039837322484333965,0.3071894976387581,0.009914125053372035,0.8153071891421444,"{""max_depth"": 10, ""max_features"": 0.8080429668210642, ""min_samples_leaf"": 1, ""min_samples_split"": 2, ""n_estimators"": 513}",68.75,
exymax_tw5,GaussianProcess,0.0038085629773573397,0.0013816561051710407,0.36277622646264734,0.002657754913972533,0.9448032776668865,"{""gpr__amplitude"": 0.39676834201369987, ""gpr__kernel_type"": ""Matern52"", ""gpr__length_scale"": 11.801983715610099, ""gpr__n_restarts_optimizer"": 10, ""gpr__noise"": 4.062992821534264e-11, ""gpr__rq_alpha"": 1.0729935500711}",30.32,"2.84**2 * Matern(length_scale=6.11, nu=2.5) + WhiteKernel(noise_level=2.91e-12)"
exymax_tw5,SVR,0.004090030637256585,0.001540605533326916,0.3766733479434979,0.002944314597970106,0.9353030498262586,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.00019619549175362865, ""svr__gamma"": 0.04679088824552713}",17.86,
exymax_tw5,FlexibleMLP,0.0054155327526707745,0.0018695762343000869,0.34522480422227514,0.0040348059658096725,0.8890993900057728,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 1.3635182383483688e-05, ""mlp__learning_rate_init"": 0.006439728369485328, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 241}",1263.25,
exymax_tw5,GradientBoosting,0.006130514770950657,0.00132252052749501,0.21572748405431655,0.004547147547623821,0.8612302236034786,"{""learning_rate"": 0.04327948592119732, ""max_depth"": 2, ""max_features"": 1.0, ""n_estimators"": 924, ""subsample"": 0.6}",54.04,
exymax_tw5,XGBoost,0.006330917777032848,0.0015769718625351706,0.24909056128576987,0.0047138903105750285,0.8494830850450501,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.03161340454735771, ""max_depth"": 6, ""min_child_weight"": 9, ""n_estimators"": 1600, ""subsample"": 1.0}",29.9,
exymax_tw5,RandomForest,0.007564471943052495,0.0017230347430242637,0.22777991061316127,0.005716063978257455,0.7918213052620856,"{""max_depth"": 10, ""max_features"": 0.8546522860334106, ""min_samples_leaf"": 1, ""min_samples_split"": 3, ""n_estimators"": 992}",67.12,
tfmmax_frame,SVR,7.173951665738949,1.8431934056692432,0.2569286066522984,5.441946933013678,0.6524629625231141,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0007486677715870227, ""svr__gamma"": 0.004158300075238015}",25.79,
tfmmax_frame,GradientBoosting,8.027394508437487,2.0777139643307807,0.25882793752654404,5.819151838372137,0.5685588183473789,"{""learning_rate"": 0.013354900265324765, ""max_depth"": 4, ""max_features"": 1.0, ""n_estimators"": 2020, ""subsample"": 0.6}",54.98,
tfmmax_frame,GaussianProcess,8.208406654677097,2.4126353399194898,0.29392249207643556,6.049532940907539,0.5495930712620065,"{""gpr__amplitude"": 100.0, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 4.571223534062345, ""gpr__n_restarts_optimizer"": 8, ""gpr__noise"": 0.0001, ""gpr__rq_alpha"": 100.0}",31.03,"1.56**2 * Matern(length_scale=2.94, nu=1.5) + WhiteKernel(noise_level=0.0001)"
tfmmax_frame,XGBoost,8.434021736431662,1.784667210848021,0.21160334495451436,6.226041585466722,0.5162363067793966,"{""colsample_bytree"": 0.6, ""learning_rate"": 0.06562638337224148, ""max_depth"": 2, ""min_child_weight"": 1, ""n_estimators"": 300, ""subsample"": 0.6579813161992569}",32.65,
tfmmax_frame,RandomForest,8.889401055745338,2.5105776654506773,0.28242371445577397,6.5109087769696785,0.48547849578906144,"{""max_depth"": 9, ""max_features"": 0.6725752970106076, ""min_samples_leaf"": 1, ""min_samples_split"": 2, ""n_estimators"": 984}",73.23,
tfmmax_frame,FlexibleMLP,10.284830316474334,2.6800046776611453,0.2605784048151275,8.247456858758161,0.12899459710464395,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.00030206883147584093, ""mlp__learning_rate_init"": 0.01, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 151}",1183.44,
tfmmax_tw1,SVR,9.525684223293123,3.4996709899329,0.36739313501230353,6.56127396437163,0.9588915907496363,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.009046278617242663}",26.79,
tfmmax_tw1,GradientBoosting,10.543729207730365,4.549705080980932,0.4315081496635191,7.184348677984953,0.9448827777983011,"{""learning_rate"": 0.008967775885328665, ""max_depth"": 2, ""max_features"": 1.0, ""n_estimators"": 2500, ""subsample"": 0.6}",66.54,
tfmmax_tw1,FlexibleMLP,10.785703301266807,3.0952682528224886,0.28697880577328155,7.801407299950299,0.9423667020698563,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.00158783346525754, ""mlp__learning_rate_init"": 0.003424697639000501, ""mlp__n_layers"": 3, ""mlp__n_neurons"": 363}",891.13,
tfmmax_tw1,XGBoost,11.173428897720685,3.762894828918249,0.33677171648587284,7.84801060212749,0.9386964393642927,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.08773846951378263, ""max_depth"": 2, ""min_child_weight"": 2, ""n_estimators"": 1098, ""subsample"": 0.7489920188979773}",33.88,
tfmmax_tw1,GaussianProcess,11.455704987380152,3.63636156708138,0.31742800387119546,8.229895661643557,0.9338873610523187,"{""gpr__amplitude"": 0.02344673599992639, ""gpr__kernel_type"": ""RQ"", ""gpr__length_scale"": 15.279414848159554, ""gpr__n_restarts_optimizer"": 6, ""gpr__noise"": 3.2972412089155123e-07, ""gpr__rq_alpha"": 0.4280403260490878}",37.38,"6.47**2 * RationalQuadratic(alpha=0.71, length_scale=7.98) + WhiteKernel(noise_level=0.01)"
tfmmax_tw1,RandomForest,14.550646649847186,4.917573116313791,0.337962513601788,9.92063707991279,0.904440581607998,"{""max_depth"": 9, ""max_features"": 0.9654940586565877, ""min_samples_leaf"": 2, ""min_samples_split"": 4, ""n_estimators"": 1200}",94.42,
tfmmax_tw2,SVR,7.094943468431064,1.5502587082509853,0.21850191127651095,5.554405650128439,0.9769196799428093,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.017353358839239923}",28.05,
tfmmax_tw2,GaussianProcess,7.300452128021403,1.1889497278125405,0.16285973895356182,5.866149725588835,0.9759116086021171,"{""gpr__amplitude"": 2.9397976202716882, ""gpr__kernel_type"": ""RQ"", ""gpr__length_scale"": 0.2729554233267, ""gpr__n_restarts_optimizer"": 9, ""gpr__noise"": 5.507536733594563e-08, ""gpr__rq_alpha"": 2.3904526209366392}",35.92,"5.28**2 * RationalQuadratic(alpha=0.685, length_scale=7.69) + WhiteKernel(noise_level=0.00383)"
tfmmax_tw2,FlexibleMLP,8.980313236048298,2.4812771686426163,0.2763018508844886,6.92597986537272,0.9601558357664723,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.0009912233917797714, ""mlp__learning_rate_init"": 0.0012135347998640553, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 328}",1372.21,
tfmmax_tw2,XGBoost,9.463315100748412,1.6593181194309832,0.17534216094101684,7.288228228349124,0.959794993713501,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.0536658882339305, ""max_depth"": 6, ""min_child_weight"": 3, ""n_estimators"": 300, ""subsample"": 0.6}",32.1,
tfmmax_tw2,GradientBoosting,9.707107197233587,2.6657094366541862,0.27461419581457625,7.317614360739552,0.9578534702608523,"{""learning_rate"": 0.013411673545405284, ""max_depth"": 3, ""max_features"": 1.0, ""n_estimators"": 2500, ""subsample"": 0.6}",60.71,
tfmmax_tw2,RandomForest,12.033802523681945,2.869156888314172,0.23842479404725223,9.10466545664493,0.9346230395314219,"{""max_depth"": 10, ""max_features"": 0.8622355763677165, ""min_samples_leaf"": 1, ""min_samples_split"": 3, ""n_estimators"": 834}",73.23,
tfmmax_tw3,GaussianProcess,8.959109214839248,2.8746947879788087,0.320868371960168,6.766563539659049,0.9801173013302533,"{""gpr__amplitude"": 9.320085469778533, ""gpr__kernel_type"": ""RQ"", ""gpr__length_scale"": 4.301128859377977, ""gpr__n_restarts_optimizer"": 3, ""gpr__noise"": 1.7734870980832062e-06, ""gpr__rq_alpha"": 0.030696207465012934}",41.44,"8.27**2 * RationalQuadratic(alpha=1.97, length_scale=9.58) + WhiteKernel(noise_level=0.0044)"
tfmmax_tw3,SVR,9.084327937865812,3.399169652185433,0.3741795403506759,6.860140984936072,0.9783538295839298,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.011030611600943777}",30.62,
tfmmax_tw3,GradientBoosting,13.142187694978848,5.532991173585357,0.4210099035261315,9.481041320563794,0.9574239732726376,"{""learning_rate"": 0.010720194567002387, ""max_depth"": 3, ""max_features"": 1.0, ""n_estimators"": 2500, ""subsample"": 0.6}",61.96,
tfmmax_tw3,XGBoost,14.069554583063965,4.4738149624820736,0.3179784360670072,10.540901357930128,0.950212454714622,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.04653420719585716, ""max_depth"": 2, ""min_child_weight"": 3, ""n_estimators"": 1600, ""subsample"": 0.6}",35.21,
tfmmax_tw3,FlexibleMLP,15.179639465184541,2.966331300798182,0.19541513535954855,12.024684470626529,0.9413370785994577,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 1e-05, ""mlp__learning_rate_init"": 0.01, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 212}",1322.58,
tfmmax_tw3,RandomForest,18.29525858985319,6.690885827934416,0.36571693125153615,13.490408379480252,0.9169156385292666,"{""max_depth"": 6, ""max_features"": 0.9687325139343489, ""min_samples_leaf"": 2, ""min_samples_split"": 4, ""n_estimators"": 985}",81.06,
tfmmax_tw4,GaussianProcess,5.231381670900287,1.9379521427685364,0.3704474772981011,3.9069887164089083,0.9782857639915543,"{""gpr__amplitude"": 9.857730593861822, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 0.643957343373082, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 8.341820189392369e-05, ""gpr__rq_alpha"": 50.981102496420675}",36.27,"7**2 * Matern(length_scale=23.5, nu=1.5) + WhiteKernel(noise_level=8.37e-11)"
tfmmax_tw4,SVR,5.241649895130784,1.5671405810817105,0.29897849197015264,3.838703061276039,0.9785940660157522,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.00974221935923807}",23.23,
tfmmax_tw4,FlexibleMLP,8.26972676775285,2.1561541210539334,0.2607285804727778,6.306213518165311,0.9469445266117281,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.004680330985281854, ""mlp__learning_rate_init"": 0.009096443295125272, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 203}",1166.01,
tfmmax_tw4,GradientBoosting,8.68616033236549,2.4770674367486167,0.28517404030856064,6.685058299591615,0.9413352197461687,"{""learning_rate"": 0.019812880300430248, ""max_depth"": 2, ""max_features"": 1.0, ""n_estimators"": 2500, ""subsample"": 0.6}",66.24,
tfmmax_tw4,XGBoost,9.33288276142842,2.6250085148891533,0.28126449051068864,7.256553714305651,0.9322365004973356,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.09779096738681156, ""max_depth"": 2, ""min_child_weight"": 3, ""n_estimators"": 300, ""subsample"": 0.6}",34.95,
tfmmax_tw4,RandomForest,12.402147199472287,2.738086894811146,0.2207752295447398,9.669503192616242,0.8848215323571729,"{""max_depth"": 7, ""max_features"": 0.9607723688386156, ""min_samples_leaf"": 2, ""min_samples_split"": 4, ""n_estimators"": 417}",76.42,
tfmmax_tw5,SVR,4.0603202034361265,0.8593661035065214,0.2116498355916033,3.1070328661360285,0.9668865849438951,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.02481746750486418}",27.67,
tfmmax_tw5,GaussianProcess,4.141400070328251,1.3266274854074294,0.3203330909544993,3.0135295573268808,0.9663534853665515,"{""gpr__amplitude"": 100.0, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 100.0, ""gpr__n_restarts_optimizer"": 10, ""gpr__noise"": 1e-12, ""gpr__rq_alpha"": 100.0}",32.81,"6.13**2 * Matern(length_scale=20.9, nu=1.5) + WhiteKernel(noise_level=2.91e-12)"
tfmmax_tw5,FlexibleMLP,6.813958930950993,1.2709503894092053,0.18652158052144652,5.371788272329492,0.9111339894686926,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.01, ""mlp__learning_rate_init"": 0.0037273500540683496, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 509}",1467.45,
tfmmax_tw5,GradientBoosting,8.149551029043888,1.6691385401290701,0.20481355772612359,6.170320622447076,0.8755069123188104,"{""learning_rate"": 0.010813596538599014, ""max_depth"": 2, ""max_features"": 1.0, ""n_estimators"": 2500, ""subsample"": 0.6}",67.53,
tfmmax_tw5,XGBoost,8.583056348923272,1.4900724478136544,0.17360627581113122,6.551516245931737,0.8603680426499082,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.017892496888149464, ""max_depth"": 2, ""min_child_weight"": 5, ""n_estimators"": 1350, ""subsample"": 0.6}",33.71,
tfmmax_tw5,RandomForest,10.921201396226943,2.5573903902367916,0.23416749654670035,8.709629793907204,0.7811996866882791,"{""max_depth"": 8, ""max_features"": 0.9668859477087186, ""min_samples_leaf"": 2, ""min_samples_split"": 4, ""n_estimators"": 1188}",83.09,
Code/models/width_optimization/5W_ml_models_per_output_models_B34_H60_it2_cv_detailed_per_output_B34_H60.csv 0 → 100644
output,model,cv_rmse,std_rmse,cv_rmse_dispersion,cv_mae,cv_r2,BEST_PARAMS,fit_time_sec,gpr_kernel
exymax_tw1,SVR,0.006214044220690907,0.0014028268057914358,0.22575101752904211,0.004372883714338959,0.9539759971706424,"{""svr__C"": 58.45001421839279, ""svr__epsilon"": 0.0009749106441250108, ""svr__gamma"": 0.005864140638036618}",17.74,
exymax_tw1,FlexibleMLP,0.007351808731237017,0.002345355032162254,0.3190174170605258,0.0050099491359999635,0.936736589351306,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.0013720897504013658, ""mlp__learning_rate_init"": 0.01, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 434}",1081.71,
exymax_tw1,GaussianProcess,0.007533474201781508,0.0018517477610968999,0.2458026285746091,0.005078996756082909,0.9299646549318306,"{""gpr__amplitude"": 0.44358289264443673, ""gpr__kernel_type"": ""Matern52"", ""gpr__length_scale"": 1.5934891399056974, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 1.4959977519589662e-05, ""gpr__rq_alpha"": 0.01}",34.23,"5.6**2 * Matern(length_scale=9.55, nu=2.5) + WhiteKernel(noise_level=0.00926)"
exymax_tw1,GradientBoosting,0.008496894299220868,0.003063928850236257,0.3605939702600757,0.005599977956462034,0.9137915160519949,"{""learning_rate"": 0.02382254514830822, ""max_depth"": 4, ""max_features"": 1.0, ""n_estimators"": 300, ""subsample"": 0.6}",48.83,
exymax_tw1,XGBoost,0.008722792586229208,0.0027881284169526785,0.31963713333667193,0.0055981457058245365,0.9072636339710684,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.09265753903463686, ""max_depth"": 2, ""min_child_weight"": 1, ""n_estimators"": 1600, ""subsample"": 0.6}",27.55,
exymax_tw1,RandomForest,0.010827284205680026,0.0036293962684472445,0.3352083679989902,0.007318398470192703,0.8622591826632677,"{""max_depth"": 8, ""max_features"": 0.9696848688013859, ""min_samples_leaf"": 2, ""min_samples_split"": 4, ""n_estimators"": 1020}",62.74,
exymax_tw2,GaussianProcess,0.005466821336787546,0.0011525366391276328,0.21082390810395404,0.004067063037885694,0.9538004595588978,"{""gpr__amplitude"": 23.67681382884984, ""gpr__kernel_type"": ""Matern52"", ""gpr__length_scale"": 0.5332057326163152, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 6.0365987039849867e-05, ""gpr__rq_alpha"": 4.606180889708466}",27.69,"3.52**2 * Matern(length_scale=7.66, nu=2.5) + WhiteKernel(noise_level=0.00308)"
exymax_tw2,SVR,0.005608416410838154,0.0010798001777398568,0.1925320979471432,0.004218236033539527,0.9498794042646417,"{""svr__C"": 9565.224658229858, ""svr__epsilon"": 0.0015211241793493297, ""svr__gamma"": 0.0018289581977067807}",19.56,
exymax_tw2,GradientBoosting,0.006402021089702075,0.0010341476633932698,0.16153456055568774,0.004813222804287907,0.9346189420604544,"{""learning_rate"": 0.017727256686215068, ""max_depth"": 1, ""max_features"": 1.0, ""n_estimators"": 2500, ""subsample"": 0.6}",50.55,
exymax_tw2,FlexibleMLP,0.0065255295241819335,0.0019741024738742954,0.30251989000414137,0.004671401235189515,0.9353562113396882,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.0006793545676489252, ""mlp__learning_rate_init"": 0.0026193706808678523, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 512}",833.86,
exymax_tw2,XGBoost,0.006840006229744421,0.0015506691203164462,0.22670580526275158,0.005073227756889636,0.9287347189906929,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.014205239383660518, ""max_depth"": 2, ""min_child_weight"": 1, ""n_estimators"": 1600, ""subsample"": 0.6}",28.98,
exymax_tw2,RandomForest,0.007168532300689838,0.0016251936331316004,0.2267121866738615,0.004983293881257019,0.9154186504722999,"{""max_depth"": 10, ""max_features"": 1.0, ""min_samples_leaf"": 1, ""min_samples_split"": 2, ""n_estimators"": 300}",61.34,
exymax_tw3,XGBoost,0.010887433507590926,0.004049806202071202,0.3719706944017247,0.0077934827068499345,0.8868930999171469,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.03163775784153972, ""max_depth"": 2, ""min_child_weight"": 1, ""n_estimators"": 988, ""subsample"": 0.6}",26.69,
exymax_tw3,GradientBoosting,0.011355923235241839,0.004410250852009381,0.3883656802401288,0.008029195940580913,0.8828786866998977,"{""learning_rate"": 0.09087178265319378, ""max_depth"": 2, ""max_features"": 0.9587205565687124, ""n_estimators"": 303, ""subsample"": 0.710155141328053}",49.08,
exymax_tw3,RandomForest,0.012789443215251401,0.004142897544314467,0.3239310323825563,0.00912515314528944,0.8568495792425036,"{""max_depth"": 7, ""max_features"": 1.0, ""min_samples_leaf"": 1, ""min_samples_split"": 2, ""n_estimators"": 300}",58.68,
exymax_tw3,SVR,0.012861221958201599,0.004575364422699002,0.355748811238056,0.00878141972346421,0.8593503131599507,"{""svr__C"": 2.433233988232179, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.008600883746349111}",16.6,
exymax_tw3,FlexibleMLP,0.013097474302614747,0.0045032000872989785,0.34382202119686317,0.009150143418830798,0.8494497056491349,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.01, ""mlp__learning_rate_init"": 0.01, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 130}",743.96,
exymax_tw3,GaussianProcess,0.01316047811250819,0.0036575318659726927,0.2779178563806465,0.009386941741597505,0.8466847170213146,"{""gpr__amplitude"": 15.783879853890564, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.2778531518898433, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 1.7014397704982245e-05, ""gpr__rq_alpha"": 7.38115974661544}",30.48,"4.51**2 * Matern(length_scale=11.7, nu=1.5) + WhiteKernel(noise_level=0.00943)"
exymax_tw4,GaussianProcess,0.00715536637486547,0.0018368189416978378,0.256705086150445,0.005114350452734641,0.9419312887406951,"{""gpr__amplitude"": 15.783879853890564, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 1.2778531518898433, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 1.7014397704982245e-05, ""gpr__rq_alpha"": 7.38115974661544}",30.47,"4.67**2 * Matern(length_scale=15, nu=1.5) + WhiteKernel(noise_level=0.00714)"
exymax_tw4,SVR,0.007332595666045989,0.0017092202473873582,0.233098935933697,0.005370164228042899,0.9369218978158076,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0011917098062865087, ""svr__gamma"": 0.0010633485209773014}",19.85,
exymax_tw4,FlexibleMLP,0.00865144010870664,0.0024182255269182373,0.2795171088897191,0.006344050612886509,0.9120458873188555,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.0015246748254295628, ""mlp__learning_rate_init"": 0.007340675018434775, ""mlp__n_layers"": 2, ""mlp__n_neurons"": 364}",899.89,
exymax_tw4,XGBoost,0.009687235387991027,0.0023703315259781584,0.24468606687482652,0.007296545098297284,0.8951177220675618,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.053545942408768685, ""max_depth"": 2, ""min_child_weight"": 5, ""n_estimators"": 1600, ""subsample"": 0.7305674955002294}",30.47,
exymax_tw4,GradientBoosting,0.01023180046769057,0.002608109569941147,0.25490230953749493,0.007658550264958311,0.8846863479938021,"{""learning_rate"": 0.006378345843513097, ""max_depth"": 3, ""max_features"": 1.0, ""n_estimators"": 1849, ""subsample"": 0.6}",49.46,
exymax_tw4,RandomForest,0.012976810234393024,0.0032762007803460893,0.2524658002367197,0.009715275635238238,0.8176057815487316,"{""max_depth"": 10, ""max_features"": 0.9174605386467496, ""min_samples_leaf"": 1, ""min_samples_split"": 2, ""n_estimators"": 410}",61.0,
exymax_tw5,GaussianProcess,0.003835154639513519,0.0010409620673571438,0.27142636091701056,0.0027881579902614122,0.9414522878550413,"{""gpr__amplitude"": 0.01780937454724205, ""gpr__kernel_type"": ""Matern52"", ""gpr__length_scale"": 0.03163261684387637, ""gpr__n_restarts_optimizer"": 10, ""gpr__noise"": 3.740905842149012e-06, ""gpr__rq_alpha"": 45.01007837876826}",29.06,"2.99**2 * Matern(length_scale=6.65, nu=2.5) + WhiteKernel(noise_level=0.00783)"
exymax_tw5,SVR,0.004093227581874791,0.0007973484223179552,0.19479699243909412,0.0030778452469520695,0.9368132253889829,"{""svr__C"": 1.0552443855107778, ""svr__epsilon"": 0.00010299110250558807, ""svr__gamma"": 0.07839672395143713}",19.08,
exymax_tw5,FlexibleMLP,0.005291044585179654,0.0015634791108331122,0.2954953574219457,0.003920515666681858,0.8946595842963369,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.0004183643790207897, ""mlp__learning_rate_init"": 0.004908083117245259, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 512}",1224.47,
exymax_tw5,XGBoost,0.006020218988387874,0.001467359999078588,0.24373864171866702,0.004438609928498333,0.8678726644478187,"{""colsample_bytree"": 0.953079914436177, ""learning_rate"": 0.04161331457814549, ""max_depth"": 2, ""min_child_weight"": 1, ""n_estimators"": 1107, ""subsample"": 0.6}",28.66,
exymax_tw5,GradientBoosting,0.00607369394230383,0.001588095065371214,0.26147103895209267,0.004455377312350392,0.8605637388058736,"{""learning_rate"": 0.012257642954176345, ""max_depth"": 2, ""max_features"": 1.0, ""n_estimators"": 2500, ""subsample"": 0.6}",51.08,
exymax_tw5,RandomForest,0.0076188656928893594,0.0017502048377689586,0.22971987016419176,0.005633416632688046,0.7873764388690812,"{""max_depth"": 7, ""max_features"": 0.9772478337317587, ""min_samples_leaf"": 1, ""min_samples_split"": 2, ""n_estimators"": 1186}",60.84,
tfmmax_frame,SVR,7.134355727641982,1.7236016601818709,0.24159177450372926,5.223633386241068,0.6611254854821593,"{""svr__C"": 9827.852233348878, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.004158188404680193}",22.52,
tfmmax_frame,GradientBoosting,7.71246863806181,2.077749840455724,0.2694013989505019,5.733676429589371,0.5973387263181424,"{""learning_rate"": 0.05344007163571674, ""max_depth"": 2, ""max_features"": 0.6919350144012263, ""n_estimators"": 852, ""subsample"": 0.6172656744518359}",51.6,
tfmmax_frame,GaussianProcess,8.035589181080399,2.46111849367232,0.30627729195849934,5.960792213980277,0.5688543801734114,"{""gpr__amplitude"": 0.01, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 0.47543489353298596, ""gpr__n_restarts_optimizer"": 1, ""gpr__noise"": 0.0001, ""gpr__rq_alpha"": 0.01}",34.7,"1.65**2 * Matern(length_scale=3.2, nu=1.5) + WhiteKernel(noise_level=0.01)"
tfmmax_frame,XGBoost,8.041077260681556,2.1363915714504134,0.2656847462337819,6.009280138821322,0.5653287222628787,"{""colsample_bytree"": 0.6, ""learning_rate"": 0.024929144100714992, ""max_depth"": 2, ""min_child_weight"": 1, ""n_estimators"": 1600, ""subsample"": 0.7572118639923244}",34.4,
tfmmax_frame,RandomForest,8.616716677702264,2.5202795790221484,0.2924872284061458,6.385174223274507,0.5142288507829931,"{""max_depth"": 9, ""max_features"": 0.759332766247603, ""min_samples_leaf"": 1, ""min_samples_split"": 2, ""n_estimators"": 300}",60.96,
tfmmax_frame,FlexibleMLP,10.161891250197264,1.8465244346261953,0.18171070612375922,8.12277039987802,0.23714887622959688,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.0036928122076610886, ""mlp__learning_rate_init"": 0.01, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 236}",1573.1,
tfmmax_tw1,SVR,9.719970090378634,3.001831962790633,0.3088313991585234,6.617774637397979,0.9586036314423707,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.012658493230459119}",27.49,
tfmmax_tw1,GradientBoosting,9.815529692961105,4.50143525332823,0.45860339626462454,6.628100944271878,0.9551753977558961,"{""learning_rate"": 0.010135807383273758, ""max_depth"": 3, ""max_features"": 1.0, ""n_estimators"": 2500, ""subsample"": 0.6}",55.83,
tfmmax_tw1,FlexibleMLP,10.042338359556018,3.8969361619751157,0.38805067330428045,6.713083010938727,0.952117737712429,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.01, ""mlp__learning_rate_init"": 0.00021793876798175264, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 512}",2276.92,
tfmmax_tw1,GaussianProcess,11.317759431222361,2.8544513997881755,0.2522099375883168,7.725490779254113,0.9407899098134702,"{""gpr__amplitude"": 100.0, ""gpr__kernel_type"": ""RQ"", ""gpr__length_scale"": 3.5584704589728413, ""gpr__n_restarts_optimizer"": 5, ""gpr__noise"": 0.0001, ""gpr__rq_alpha"": 0.01}",35.65,"6.48**2 * RationalQuadratic(alpha=0.734, length_scale=7.95) + WhiteKernel(noise_level=0.01)"
tfmmax_tw1,XGBoost,11.733623631293625,3.1693532326131177,0.2701086494849246,7.739503285731011,0.9354874412445924,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.09584133539029155, ""max_depth"": 2, ""min_child_weight"": 1, ""n_estimators"": 1600, ""subsample"": 0.6}",34.81,
tfmmax_tw1,RandomForest,13.919555623669705,4.946313207361651,0.35534993652747243,9.46588144770934,0.9147824424128744,"{""max_depth"": 8, ""max_features"": 0.9696848688013859, ""min_samples_leaf"": 2, ""min_samples_split"": 4, ""n_estimators"": 1020}",82.94,
tfmmax_tw2,SVR,7.580555110759318,1.8788114828873397,0.24784616105760962,5.719388543202952,0.970715518000387,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.0001, ""svr__gamma"": 0.016834956573978665}",29.56,
tfmmax_tw2,GaussianProcess,7.914441880672723,1.6146002744173416,0.20400683949176987,6.115779220332458,0.967429616535892,"{""gpr__amplitude"": 2.9397976202716882, ""gpr__kernel_type"": ""RQ"", ""gpr__length_scale"": 0.2729554233267, ""gpr__n_restarts_optimizer"": 9, ""gpr__noise"": 5.507536733594563e-08, ""gpr__rq_alpha"": 2.3904526209366392}",41.36,"5.09**2 * RationalQuadratic(alpha=0.647, length_scale=7.59) + WhiteKernel(noise_level=0.0038)"
tfmmax_tw2,GradientBoosting,9.494964029457382,2.404943796069201,0.2532862461203699,7.13831990405005,0.9562733969949171,"{""learning_rate"": 0.012299808945356422, ""max_depth"": 3, ""max_features"": 1.0, ""n_estimators"": 2113, ""subsample"": 0.6}",52.18,
tfmmax_tw2,XGBoost,9.837509329070581,2.154703070931133,0.21902932936122593,7.654006384247052,0.9516120692434678,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.11005883322814827, ""max_depth"": 6, ""min_child_weight"": 3, ""n_estimators"": 1600, ""subsample"": 0.6}",32.98,
tfmmax_tw2,FlexibleMLP,9.84928256745484,2.5449804004564958,0.25839246493606755,7.541832490815108,0.9479232005059857,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.004487217741425082, ""mlp__learning_rate_init"": 0.01, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 508}",1234.28,
tfmmax_tw2,RandomForest,10.657377621774177,2.3680088408052162,0.22219432630097646,7.809557553603904,0.9427605529759063,"{""max_depth"": 10, ""max_features"": 1.0, ""min_samples_leaf"": 2, ""min_samples_split"": 4, ""n_estimators"": 300}",71.77,
tfmmax_tw3,SVR,8.588953290176786,2.5495367508671922,0.29683905182987846,6.451723952511014,0.9806900590796396,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.007110626163409437, ""svr__gamma"": 0.011123747675513834}",25.87,
tfmmax_tw3,GaussianProcess,8.607013886276775,1.9519700682145618,0.22678830242470374,6.518415693249247,0.9810145488103673,"{""gpr__amplitude"": 1.8979734893556324, ""gpr__kernel_type"": ""RQ"", ""gpr__length_scale"": 0.25457484660114477, ""gpr__n_restarts_optimizer"": 1, ""gpr__noise"": 0.0001, ""gpr__rq_alpha"": 100.0}",33.82,"8.28**2 * RationalQuadratic(alpha=1.9, length_scale=9.65) + WhiteKernel(noise_level=0.00438)"
tfmmax_tw3,GradientBoosting,12.424163737723307,5.162244867702913,0.4155003891351548,8.947188348869485,0.9613301038276674,"{""learning_rate"": 0.010176096615021429, ""max_depth"": 2, ""max_features"": 1.0, ""n_estimators"": 2500, ""subsample"": 0.6}",65.59,
tfmmax_tw3,XGBoost,13.853948075552712,5.03485748814007,0.36342401896429816,10.420619544440997,0.9506856542634488,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.16251326715467684, ""max_depth"": 2, ""min_child_weight"": 3, ""n_estimators"": 556, ""subsample"": 1.0}",32.19,
tfmmax_tw3,FlexibleMLP,14.553903641195891,2.992336650705622,0.2056037146099823,11.36583238130458,0.9411908706050383,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.0008826496894863305, ""mlp__learning_rate_init"": 0.01, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 365}",1321.25,
tfmmax_tw3,RandomForest,18.17588672935567,6.90887306374141,0.38011202240730113,13.247407289607423,0.9163563863497173,"{""max_depth"": 8, ""max_features"": 0.9696848688013859, ""min_samples_leaf"": 2, ""min_samples_split"": 4, ""n_estimators"": 1020}",84.34,
tfmmax_tw4,SVR,5.324080916152239,1.4158359490254124,0.26593058432489974,3.9262675157691254,0.9784668610528222,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.01373045156954136}",24.43,
tfmmax_tw4,GaussianProcess,5.43641849532263,1.536129257015718,0.2825627310217873,4.044169164656891,0.9777525351390374,"{""gpr__amplitude"": 17.91450550415196, ""gpr__kernel_type"": ""Matern32"", ""gpr__length_scale"": 0.9620084726714119, ""gpr__n_restarts_optimizer"": 7, ""gpr__noise"": 2.318864521435025e-05, ""gpr__rq_alpha"": 19.39571366541623}",34.04,"7.22**2 * Matern(length_scale=24.4, nu=1.5) + WhiteKernel(noise_level=0.00152)"
tfmmax_tw4,GradientBoosting,8.432409078602221,1.7970346792952534,0.21311047205422518,6.438034235830608,0.9472629256506669,"{""learning_rate"": 0.008743548083485153, ""max_depth"": 2, ""max_features"": 1.0, ""n_estimators"": 1964, ""subsample"": 0.6}",63.6,
tfmmax_tw4,XGBoost,8.618083877654604,1.491757992148729,0.17309624892566122,6.4995955113988755,0.9442967500471748,"{""colsample_bytree"": 1.0, ""learning_rate"": 0.09102184808494891, ""max_depth"": 2, ""min_child_weight"": 1, ""n_estimators"": 300, ""subsample"": 0.6}",32.66,
tfmmax_tw4,FlexibleMLP,10.837949066277904,2.0078275407808683,0.18525899397591652,8.954039181954382,0.9081638425255356,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.004906626790697084, ""mlp__learning_rate_init"": 0.01, ""mlp__n_layers"": 4, ""mlp__n_neurons"": 64}",935.71,
tfmmax_tw4,RandomForest,12.28903253156968,2.468776931198722,0.2008927004511221,9.760002379417706,0.8897299278977533,"{""max_depth"": 9, ""max_features"": 0.9732972652253609, ""min_samples_leaf"": 2, ""min_samples_split"": 3, ""n_estimators"": 1200}",87.71,
tfmmax_tw5,GaussianProcess,3.9048687474401085,0.8343848823262935,0.21367808658697843,2.9765343008125726,0.9729210540964577,"{""gpr__amplitude"": 0.01, ""gpr__kernel_type"": ""RQ"", ""gpr__length_scale"": 100.0, ""gpr__n_restarts_optimizer"": 10, ""gpr__noise"": 1e-12, ""gpr__rq_alpha"": 100.0}",40.99,"3.4**2 * RationalQuadratic(alpha=0.859, length_scale=6) + WhiteKernel(noise_level=0.00157)"
tfmmax_tw5,SVR,3.953789353600316,0.706972256305736,0.178808781419265,3.038431924580946,0.9717810677553571,"{""svr__C"": 10000.0, ""svr__epsilon"": 0.1, ""svr__gamma"": 0.020308604772659927}",24.89,
tfmmax_tw5,FlexibleMLP,7.1174705901327044,2.253039474049078,0.3165505843006329,5.7948418998108,0.9063679080257815,"{""mlp__activation"": ""relu"", ""mlp__alpha"": 0.01, ""mlp__learning_rate_init"": 0.009183590846688716, ""mlp__n_layers"": 5, ""mlp__n_neurons"": 212}",993.28,
tfmmax_tw5,GradientBoosting,7.8539358845432306,1.7981601265524674,0.22895019172378242,6.004120347132316,0.8890124967147635,"{""learning_rate"": 0.03197876121544708, ""max_depth"": 2, ""max_features"": 1.0, ""n_estimators"": 1530, ""subsample"": 0.6}",59.04,
tfmmax_tw5,XGBoost,8.151704833894835,1.5487552024396358,0.1899915703522413,6.259038153647816,0.8771578909382738,"{""colsample_bytree"": 0.7133373693205918, ""learning_rate"": 0.03761993024726906, ""max_depth"": 2, ""min_child_weight"": 5, ""n_estimators"": 1600, ""subsample"": 0.6}",34.23,
tfmmax_tw5,RandomForest,10.696551490303062,2.502348949282875,0.23393978438297378,8.484255234099612,0.7936882262920221,"{""max_depth"": 9, ""max_features"": 0.8927915155650652, ""min_samples_leaf"": 1, ""min_samples_split"": 2, ""n_estimators"": 799}",73.55,
Manuscript/Figures/MLSurrogatesComparison/plot_surrogate_selection_summary.py 0 → 100644
"""Grouped bar chart for supervised surrogate model selection.
The script reads ``surrogate_selection_summary_by_variable_type_wide.csv`` and creates a
bar chart with:
- grouped bars for Selected outputs and Lowest-RMSE outputs,
- groups by model, window family, and variable type,
- a secondary y-axis showing median training time for 2W, 3W, and 5W.
Edit ``CSV_PATH`` and ``FIG_PATH`` if needed.
"""
from pathlib import Path
import pandas as pd
import matplotlib.pyplot as plt
plt.rcParams.update(
{
"font.family": "serif",
"font.serif": ["Times New Roman", "DejaVu Serif"],
"mathtext.fontset": "stix",
"font.size": 12,
"axes.labelsize": 12,
"axes.titlesize": 11,
"xtick.labelsize": 12,
"ytick.labelsize": 12,
"axes.linewidth": 0.7,
"axes.spines.top": False,
"axes.spines.right": False,
"figure.dpi": 300,
"savefig.dpi": 300,
}
)
BASE_DIR = Path(__file__).resolve().parent
CSV_PATH = BASE_DIR / "surrogate_selection_summary_by_variable_type_wide.csv"
TIME_CSV_PATH = BASE_DIR / "surrogate_selection_summary_by_variable_type.csv"
FIG_PATH = BASE_DIR / "surrogate_selection_summary_barplot"
MODEL_ORDER = ["SVR", "GPR", "GBR", "XGBoost", "MLP", "RF"]
WINDOW_ORDER = ["2W", "3W", "5W"]
TIME_WINDOW_ORDER = ["2W", "3W", "5W"]
VARIABLE_TYPE_ORDER = ["Distortion", "Damage"]
SUBGROUP_ORDER = [
("2W", "Distortion"),
("2W", "Damage"),
("3W", "Distortion"),
("3W", "Damage"),
("5W", "Distortion"),
("5W", "Damage"),
]
COLOR_SELECTED = "#1a6faf"
COLOR_LOWEST_RMSE = "#E07060"
COLOR_TIME = "#4D9A57"
COLOR_GRID = "#d8d8d8"
# Layout parameters
bar_width = 0.12
bar_offset = 0.075
subgroup_width = 0.36
group_gap = 0.28
model_group_width = subgroup_width * len(SUBGROUP_ORDER)
def style_axis(ax, *, include_x_grid: bool = False) -> None:
ax.grid(
True,
axis="both" if include_x_grid else "y",
color=COLOR_GRID,
linewidth=0.55,
alpha=0.75,
)
ax.tick_params(axis="both", which="major", direction="in", length=4, width=0.7)
ax.tick_params(axis="both", which="minor", direction="in", length=2.5, width=0.6)
ax.tick_params(axis="x", which="both", length=0)
ax.minorticks_on()
def save_figure_all_formats(fig, out_base: Path) -> None:
fig.savefig(f"{out_base}.png", format="png", bbox_inches="tight", dpi=300)
fig.savefig(f"{out_base}.svg", format="svg", bbox_inches="tight")
fig.savefig(f"{out_base}.pdf", format="pdf", bbox_inches="tight")
def get_summary_value(row: pd.Series, metric: str, window_group: str) -> float:
return row[f"{metric}_{window_group}"]
def main() -> None:
df = pd.read_csv(CSV_PATH)
time_df = pd.read_csv(TIME_CSV_PATH)
# Ensure stable ordering
df["model"] = pd.Categorical(df["model"], categories=MODEL_ORDER, ordered=True)
df["variable_type"] = pd.Categorical(
df["variable_type"], categories=VARIABLE_TYPE_ORDER + ["All"], ordered=True
)
df = df.sort_values(["model", "variable_type"])
time_df["model"] = pd.Categorical(
time_df["model"], categories=MODEL_ORDER, ordered=True
)
time_df["variable_type"] = pd.Categorical(
time_df["variable_type"], categories=VARIABLE_TYPE_ORDER + ["All"], ordered=True
)
time_df["window_group"] = pd.Categorical(
time_df["window_group"], categories=WINDOW_ORDER, ordered=True
)
time_df = time_df.sort_values(["model", "variable_type", "window_group"])
fig, ax = plt.subplots(figsize=(11.4, 4.85))
fig.subplots_adjust(left=0.075, right=0.918, bottom=0.44, top=0.94)
model_centers = []
subgroup_centers_by_model = {}
for m_idx, model in enumerate(MODEL_ORDER):
base_x = m_idx * (model_group_width + group_gap)
model_centers.append(base_x + model_group_width / 2 - subgroup_width / 2)
subgroup_centers_by_model[model] = {}
for s_idx, (window_group, variable_type) in enumerate(SUBGROUP_ORDER):
center = base_x + s_idx * subgroup_width
subgroup_centers_by_model[model][(window_group, variable_type)] = center
row = df[(df["model"] == model) & (df["variable_type"] == variable_type)]
if row.empty:
continue
row = row.iloc[0]
x_selected = center - bar_offset
x_lowest = center + bar_offset
b1 = ax.bar(
x_selected,
get_summary_value(row, "selected", window_group),
width=bar_width,
color=COLOR_SELECTED,
edgecolor="none",
linewidth=0,
label="Selected outputs" if (m_idx == 0 and s_idx == 0) else None,
)
b2 = ax.bar(
x_lowest,
get_summary_value(row, "lowest_rmse", window_group),
width=bar_width,
color=COLOR_LOWEST_RMSE,
edgecolor="none",
linewidth=0,
label="Lowest-RMSE outputs" if (m_idx == 0 and s_idx == 0) else None,
)
ax.set_ylabel("Number of outputs")
window_tick_positions = [
subgroup_centers_by_model[model][subgroup]
for model in MODEL_ORDER
for subgroup in SUBGROUP_ORDER
]
window_tick_labels = [
(
"$\\varepsilon_{{xy}}$"
if variable_type == "Distortion"
else "$\\mathcal{{D}}$"
if variable_type == "Damage"
else ""
)
for _model in MODEL_ORDER
for window_group, variable_type in SUBGROUP_ORDER
]
ax.set_xticks(window_tick_positions)
ax.set_xticklabels(window_tick_labels)
ax.tick_params(axis="x", labelsize=10, pad=3)
first_x = subgroup_centers_by_model[MODEL_ORDER[0]][SUBGROUP_ORDER[0]]
last_x = subgroup_centers_by_model[MODEL_ORDER[-1]][SUBGROUP_ORDER[-1]]
ax.set_xlim(first_x - 0.22, last_x + 0.22)
bar_df = df[df["variable_type"].isin(VARIABLE_TYPE_ORDER)]
max_bar_value = max(
bar_df[[f"selected_{window}" for window in WINDOW_ORDER]].max().max(),
bar_df[[f"lowest_rmse_{window}" for window in WINDOW_ORDER]].max().max(),
)
ax.set_ylim(0, max_bar_value + 2)
ax.set_yticks(range(0, int(max_bar_value + 1), 5))
style_axis(ax)
# Add window and model labels below the variable-type tick labels.
for model in MODEL_ORDER:
for window_group in TIME_WINDOW_ORDER:
distortion_x = subgroup_centers_by_model[model][
(window_group, "Distortion")
]
damage_x = subgroup_centers_by_model[model][(window_group, "Damage")]
ax.text(
(distortion_x + damage_x) / 2,
-0.105,
window_group,
transform=ax.get_xaxis_transform(),
ha="center",
va="top",
fontsize=11,
clip_on=False,
)
model_rows = bar_df[bar_df["model"] == model]
total_selected = int(
model_rows[[f"selected_{window}" for window in WINDOW_ORDER]].sum().sum()
)
total_lowest_rmse = int(
model_rows[[f"lowest_rmse_{window}" for window in WINDOW_ORDER]]
.sum()
.sum()
)
ax.text(
model_centers[MODEL_ORDER.index(model)],
-0.185,
model,
transform=ax.get_xaxis_transform(),
ha="center",
va="top",
fontsize=12,
clip_on=False,
)
ax.text(
model_centers[MODEL_ORDER.index(model)],
-0.265,
f"Total = {total_selected}",
transform=ax.get_xaxis_transform(),
ha="center",
va="top",
color=COLOR_SELECTED,
fontsize=11,
clip_on=False,
)
ax.text(
model_centers[MODEL_ORDER.index(model)],
-0.325,
f"Total = {total_lowest_rmse}",
transform=ax.get_xaxis_transform(),
ha="center",
va="top",
color=COLOR_LOWEST_RMSE,
fontsize=11,
clip_on=False,
)
# Secondary axis: median training time from the aggregate rows.
ax_time = ax.twinx()
for model in MODEL_ORDER:
time_x_points = []
time_points = []
for window_group in TIME_WINDOW_ORDER:
row = time_df[
(time_df["model"] == model)
& (time_df["variable_type"] == "All")
& (time_df["window_group"] == window_group)
]
if row.empty:
continue
distortion_x = subgroup_centers_by_model[model][
(window_group, "Distortion")
]
damage_x = subgroup_centers_by_model[model][(window_group, "Damage")]
time_x_points.append((distortion_x + damage_x) / 2)
time_points.append(row.iloc[0]["median_training_time_sec"])
ax_time.plot(
time_x_points,
time_points,
marker="o",
color=COLOR_TIME,
markerfacecolor="white",
markeredgecolor=COLOR_TIME,
markeredgewidth=0.8,
linewidth=1.3,
markersize=4.2,
label="Median training time" if model == MODEL_ORDER[0] else None,
)
for x, t in zip(time_x_points, time_points):
ax_time.annotate(
f"{t:.1f}",
xy=(x, t),
xytext=(0, 6),
textcoords="offset points",
ha="center",
va="bottom",
color=COLOR_TIME,
fontsize=11,
bbox={
"boxstyle": "round,pad=0.08",
"facecolor": "white",
"edgecolor": "none",
"alpha": 0.75,
},
)
ax_time.set_ylabel("Median training time (s)")
time_values = time_df[
(time_df["variable_type"] == "All")
& (time_df["window_group"].isin(TIME_WINDOW_ORDER))
]["median_training_time_sec"]
ax_time.set_yscale("log")
ax_time.set_ylim(
time_values.min() * 0.75,
time_values.max() * 1.05,
)
ax_time.spines["right"].set_visible(True)
ax_time.spines["right"].set_linewidth(0.7)
ax_time.spines["top"].set_visible(False)
ax_time.tick_params(axis="y", which="major", direction="in", length=4, width=0.7)
ax_time.tick_params(axis="y", which="minor", direction="in", length=2.5, width=0.6)
ax_time.minorticks_on()
# Combine legends from both axes.
handles_1, labels_1 = ax.get_legend_handles_labels()
handles_2, labels_2 = ax_time.get_legend_handles_labels()
fig.legend(
handles_1 + handles_2,
labels_1 + labels_2,
loc="lower center",
ncol=3,
frameon=False,
bbox_to_anchor=(0.5, 0.125),
)
ax.set_ylim(0, max_bar_value + 2)
ax.set_yticks(range(0, int(max_bar_value + 1), 5))
ax.autoscale(False, axis="y")
save_figure_all_formats(fig, FIG_PATH)
plt.close(fig)
print(f"Saved: {FIG_PATH}.png/.svg/.pdf")
if __name__ == "__main__":
main()
Manuscript/Figures/MLSurrogatesComparison/surrogate_selection_summary_barplot.svg 0 → 100644
This source diff could not be displayed because it is too large. You can view the blob instead.
Manuscript/Figures/MLSurrogatesComparison/surrogate_selection_summary_by_variable_type.csv 0 → 100644
model,variable_type,window_group,selected_outputs,lowest_rmse_outputs,median_training_time_sec
SVR,Distortion,2W,9,9,15.92
SVR,Distortion,3W,9,9,17.12
SVR,Distortion,5W,6,3,19.1
SVR,Distortion,Total,24,21,17.56
SVR,Damage,2W,15,15,20.4
SVR,Damage,3W,21,20,24.93
SVR,Damage,5W,11,15,25.96
SVR,Damage,Total,47,50,24.37
SVR,All,2W,24,24,18.14
SVR,All,3W,30,29,21.64
SVR,All,5W,17,18,22.52
SVR,All,Total,71,71,20.91
GPR,Distortion,2W,1,1,29.17
GPR,Distortion,3W,0,0,30.37
GPR,Distortion,5W,6,9,30.47
GPR,Distortion,Total,7,10,30.32
GPR,Damage,2W,0,0,34.18
GPR,Damage,3W,2,4,34.91
GPR,Damage,5W,6,3,35.78
GPR,Damage,Total,8,7,35.06
GPR,All,2W,1,1,32.85
GPR,All,3W,2,4,32.02
GPR,All,5W,12,12,34.04
GPR,All,Total,15,17,32.83
GBR,Distortion,2W,0,0,30.94
GBR,Distortion,3W,9,9,36.03
GBR,Distortion,5W,1,0,51.03
GBR,Distortion,Total,10,9,37.7
GBR,Damage,2W,0,0,36.02
GBR,Damage,3W,0,0,42.62
GBR,Damage,5W,0,0,61.34
GBR,Damage,Total,0,0,43.03
GBR,All,2W,0,0,34.28
GBR,All,3W,9,9,40.82
GBR,All,5W,1,0,55.23
GBR,All,Total,10,9,42.11
XGBoost,Distortion,2W,0,0,22.42
XGBoost,Distortion,3W,0,0,25.93
XGBoost,Distortion,5W,2,3,29.21
XGBoost,Distortion,Total,2,3,26.57
XGBoost,Damage,2W,0,0,28.14
XGBoost,Damage,3W,0,0,32.36
XGBoost,Damage,5W,0,0,33.27
XGBoost,Damage,Total,0,0,32.63
XGBoost,All,2W,0,0,24.87
XGBoost,All,3W,0,0,30.59
XGBoost,All,5W,2,3,32.19
XGBoost,All,Total,2,3,30.32
MLP,Distortion,2W,0,0,179.17
MLP,Distortion,3W,0,0,388.92
MLP,Distortion,5W,0,0,922.75
MLP,Distortion,Total,0,0,415.35
MLP,Damage,2W,0,0,286.51
MLP,Damage,3W,1,0,822.65
MLP,Damage,5W,1,0,1208.86
MLP,Damage,Total,2,0,851.3
MLP,All,2W,0,0,231.54
MLP,All,3W,1,0,532.12
MLP,All,5W,1,0,1072.55
MLP,All,Total,2,0,638.43
RF,Distortion,2W,0,0,35.56
RF,Distortion,3W,0,0,48.28
RF,Distortion,5W,0,0,61.79
RF,Distortion,Total,0,0,49.19
RF,Damage,2W,0,0,41.27
RF,Damage,3W,0,0,54.05
RF,Damage,5W,0,0,77.83
RF,Damage,Total,0,0,56.94
RF,All,2W,0,0,39.26
RF,All,3W,0,0,49.55
RF,All,5W,0,0,71.77
RF,All,Total,0,0,51.22
Manuscript/Figures/MLSurrogatesComparison/surrogate_selection_summary_by_variable_type_wide.csv 0 → 100644
model,variable_type,selected_2W,lowest_rmse_2W,selected_3W,lowest_rmse_3W,selected_5W,lowest_rmse_5W,selected_Total,lowest_rmse_Total,median_training_time_sec
SVR,Distortion,9,9,9,9,6,3,24,21,17.56
SVR,Damage,15,15,21,20,11,15,47,50,24.37
SVR,All,24,24,30,29,17,18,71,71,20.91
GPR,Distortion,1,1,0,0,6,9,7,10,30.32
GPR,Damage,0,0,2,4,6,3,8,7,35.06
GPR,All,1,1,2,4,12,12,15,17,32.83
GBR,Distortion,0,0,9,9,1,0,10,9,37.7
GBR,Damage,0,0,0,0,0,0,0,0,43.03
GBR,All,0,0,9,9,1,0,10,9,42.11
XGBoost,Distortion,0,0,0,0,2,3,2,3,26.57
XGBoost,Damage,0,0,0,0,0,0,0,0,32.63
XGBoost,All,0,0,0,0,2,3,2,3,30.32
MLP,Distortion,0,0,0,0,0,0,0,0,415.35
MLP,Damage,0,0,1,0,1,0,2,0,851.3
MLP,All,0,0,1,0,1,0,2,0,638.43
RF,Distortion,0,0,0,0,0,0,0,0,49.19
RF,Damage,0,0,0,0,0,0,0,0,56.94
RF,All,0,0,0,0,0,0,0,0,51.22
Manuscript/RESILINK_surrogate_optimization_manuscript.tex
......@@ -85,7 +85,7 @@ The present work addresses this gap through a damage-aware surrogate-assisted op
Figure \ref{fig:MethodologyFlowChart} summarizes the proposed workflow. The different stages of the methodology, together with the surrogate modelling, optimization strategy, validation procedure and corresponding results, are described in the following sections.
\begin{figure}[!ht]
\begin{figure}[htbp]
\centering
\includegraphics[width=0.75\textwidth]{./Figures/MethodologyFlowChart.png}
\caption{Flow chart of the proposed adaptive surrogate-assisted optimization framework.}
......@@ -96,7 +96,7 @@ Figure \ref{fig:MethodologyFlowChart} summarizes the proposed workflow. The diff
The BDSL dampers analysed in this work, with one representative configuration shown in Figure \ref{fig:Device}, are designed to concentrate energy dissipation in localized reduced-thickness zones, hereafter referred to as windows, while preserving the structural integrity of the surrounding frame. The optimization variables correspond to the window thicknesses, whereas the frame dimensions are kept fixed. The dissipative element is connected to a load-transfer system through a mechanism that allows imposed in-plane displacement while preventing axial force transmission, thereby promoting a shear-dominated response. Under cyclic loading, plastic deformation is intended to concentrate in the windows, whereas the frame provides load transfer and stability.
\begin{figure}[!ht]
\begin{figure}[htbp]
\centering
\includegraphics[width=0.25\textwidth]{./Figures/Device.png}
\caption{Representative BDSL damper configuration considered in the optimization.}
......@@ -112,7 +112,7 @@ The design variables considered in this work are the window thicknesses
\end{equation}
where $W$ denotes the number of windows. The width and height identifiers of the device are represented by $B$ and $H$, respectively. Five geometry families are considered, as shown in Figure \ref{fig:GeometryFamilies}: H30\_B29, H30\_B34, H45\_B29, H45\_B34 and H60\_B34. Devices with $H=30$ cm have two windows, those with $H=45$ cm have three windows, and those with $H=60$ cm have five windows.
\begin{figure}[ht!]
\begin{figure}[htbp]
\centering
\includegraphics[width=0.15\textwidth]{Figures/H30_B29.png}\label{fig:H30_B29}
\includegraphics[width=0.15\textwidth]{Figures/H30_B34.png}\label{fig:H30_B34}
......@@ -125,7 +125,7 @@ where $W$ denotes the number of windows. The width and height identifiers of the
The admissible thickness ranges are defined according to the geometry family and manufacturing constraints. The main characteristics of each family are summarized in Table~\ref{tab:families}. In all cases, the frame thickness is kept constant at 30 mm.
\begin{table}[ht!]
\begin{table}[htbp]
\centering
\caption{Geometry families considered for optimization in the current study and admissible window thickness ranges.}
\label{tab:families}
......@@ -150,7 +150,7 @@ The dissipative steel component is modelled as ASTM A36 steel, whose cyclic plas
The imposed displacement is applied through an actuator-like connector that transfers horizontal displacement while preventing axial load transmission, thereby reproducing the kinematic condition required to promote a shear-dominated response. Three experimental tests were performed following the loading protocols defined in the ANSI/AISC 341-16 \cite{American2002} and ASCE 7-22 \cite{American2017} qualification standards for seismic energy dissipation devices. Those protocols involve cyclic loading with progressively increasing amplitudes. Additional contact and confinement conditions are included to represent the experimental anti-buckling system and to control local and global instability.
\begin{figure}[!ht]
\begin{figure}[htbp]
\centering
\includegraphics[width=0.60\textwidth]{./Figures/FEMsetup.png}
\caption{FEM validation model of the BDSL device: mesh discretization, main components, boundary conditions and local/global buckling control.}
......@@ -159,7 +159,7 @@ The imposed displacement is applied through an actuator-like connector that tran
The model was calibrated and validated against cyclic experimental tests performed on representative BDSL specimens. The calibration involved the material parameters, assembled geometry, contact definitions, support flexibility and boundary conditions. The validated model accurately reproduces the main global experimental responses. Figure \ref{fig:FEM_validation_comparison} shows the comparison between experimental and numerical results, confirming the suitability of the FEM model as a numerical reference for configurations beyond those experimentally tested.
\begin{figure}[!ht]
\begin{figure}[htbp]
\centering
\includegraphics[width=0.80\textwidth]{./Figures/plot_FEM_validation/FEM_validation_comparison.png}
\caption{Experimental--numerical validation of the BDSL model: hysteretic response (left) and cumulative dissipated energy (right).}
......@@ -180,7 +180,7 @@ For each geometry family, the optimization cycle starts from an initial set of F
To improve surrogate robustness near the admissible limits, the sampling domain is extended slightly beyond the actual optimization ranges reported in Table~\ref{tab:families}. This reduces the risk of extrapolation when evaluating candidate solutions close to the true design limits. The extended thickness ranges and the number of initial simulations for each family used in the DoE are summarized in Table~\ref{tab:families_doe}.
\begin{table}[ht!]
\begin{table}[htbp]
\centering
\caption{Geometry families, window thickness ranges and number of simulations considered during the DoE generation.}
\label{tab:families_doe}
......@@ -199,7 +199,7 @@ To improve surrogate robustness near the admissible limits, the sampling domain
For every sampled configuration, a FEM simulation is performed under a displacement-controlled cyclic loading protocol. Since the admissible deformation demand depends on the size of the device, different loading patterns are adopted according to the device height. As shown in Figure~\ref{fig:LoadPatterns}, both the number of cycles and the maximum displacement amplitude increase with the device height, consistently with the expected performance range of each geometry family.
\begin{figure}[!ht]
\begin{figure}[htbp]
\centering
\includegraphics[width=0.50\textwidth]{./Figures/LoadPatterns/LoadPatterns.png}
\caption{Displacement-controlled cyclic loading patterns adopted for the different device heights considered in the FEM campaign.}
......@@ -222,7 +222,7 @@ The cross-validation strategy is adapted to the dataset size. Leave-One-Out vali
Model selection is performed in two stages. First, for each candidate algorithm, Bayesian hyperparameter optimization is carried out using cross-validated Root Mean Squared Error (RMSE) as the refit criterion. The best hyperparameter configuration is therefore the one with the lowest mean RMSE. Then, the best configurations from all candidate algorithms are compared. The model with the lowest mean RMSE defines a competitive threshold, and all models with an RMSE within 5\% of this value are retained. Among these competitive models, the final selection is based on the lowest relative RMSE dispersion, computed as the standard deviation of the fold-wise RMSE divided by the mean RMSE. If two models have the same dispersion, the one with the lower mean RMSE is preferred. This procedure favours surrogates that are both accurate and stable, which is important because small prediction errors near active damage constraints may alter the optimized geometry.
\begin{figure}[!ht]
\begin{figure}[htbp]
\centering
\includegraphics[width=1.0\textwidth]{./Figures/BayesianSearchCV.png}
\caption{Workflow of the supervised surrogate training and selection strategy. For each output variable, the cross-validation strategy is adapted to the dataset size, Bayesian optimization is used to tune each candidate model, and the final surrogate is selected according to RMSE accuracy and fold-wise RMSE dispersion.}
......@@ -285,7 +285,7 @@ The cubic penalty reflects the greater severity of frame damage compared with lo
The distortion contribution in Eq.~\eqref{eq:objective} is weighted by $t_{w,i}$ and the geometric factor $A_i$ that accounts for the effective area associated with each window. These factors, summarized in Table~\ref{tab:volume_factors}, depend on the geometry family because the windows differ in size.
\begin{table}[ht!]
\begin{table}[htbp]
\centering
\caption{Window area factors used to weight the distortion contribution in the objective function.}
\label{tab:volume_factors}
......@@ -306,94 +306,95 @@ The surrogate-optimized geometry is not accepted directly. Instead, once an opti
If all criteria are satisfied, the FEM-validated geometry is accepted as the optimized design. If at least one criterion is not satisfied, the new FEM result is added to the dataset, the surrogate models are retrained and the DE optimization is repeated. This loop is summarized in Figure~\ref{fig:OptimizationFlowChart}. The process reduces the risk of accepting a geometry that is optimal only because of surrogate extrapolation error.
\begin{figure}[!ht]
\begin{figure}[htbp]
\centering
\includegraphics[width=1.0\textwidth]{./Figures/OptimizationFlowChart.png}
\caption{Surrogate-assisted optimization and FEM validation retraining loop.}
\label{fig:OptimizationFlowChart}
\end{figure}
\section{Planned numerical assessment}\label{sec:planned_results}
\section{Numerical results and discussion}\label{sec:results}
The full numerical results are currently being generated. This section is therefore structured as the target results section to be completed once the final training, optimization and FEM-validation outputs are available. The tables and figures indicated below should be filled with the final values obtained from the scripts.
The supervised-learning comparison shows a clear hierarchy among the candidate surrogate models. A total of 100 output-specific training problems were considered, corresponding to the $2W+1$ target variables required for each geometry family and adaptive iteration. The H30\_B29 family required two optimization iterations, whereas the remaining families required three. Across all geometry families, iterations and output variables, SVR was the most frequently selected model and also the model that most often achieved the lowest cross-validated RMSE. As summarized in Figure~\ref{fig:surrogate_selection_summary_barplot}, SVR was selected in 71 cases, followed by GPR, GBR, XGBoost and MLP, while Random Forest was not selected in any case. This dominance was particularly clear for the two-window families, where only one output was assigned to a different model, namely GPR, and for the damage-related outputs, for which SVR was selected in 47 out of 57 cases. For more complex devices, those with three and five windows, and for distortion-related outputs, the model selection became more heterogeneous, although SVR still provided the best overall performance. From the computational point of view, SVR also offered one of the lowest median training times among the supervised models, whereas MLP required substantially longer training times without providing gain in accuracy.
\subsection{Predictive performance of supervised ML models}\label{subsec:planned_ml}
\begin{figure}[htbp]
\centering
\includegraphics[width=1.0\textwidth]{./Figures/MLSurrogatesComparison/surrogate_selection_summary_barplot.png}
\caption{Summary of the supervised surrogate selection over all geometry families, adaptive iterations and target outputs. The training time corresponds to the median time required for one Bayesian hyperparameter search for a single output variable and, for visualization purposes, is in logarithmic scale.}
\label{fig:surrogate_selection_summary_barplot}
\end{figure}
These results indicate that kernel-based models are particularly well suited to the present surrogate task. SVR provides the best compromise between accuracy and computational cost, while GPR is the second most competitive supervised strategy, especially in some higher-dimensional cases. Tree-based models, although robust, are less frequently selected, and MLP models are not competitive in terms of computational efficiency for the dataset sizes considered here. This behaviour motivated the additional evaluation of RBF interpolation as a simpler surrogate alternative. In contrast to the supervised models, which require Bayesian hyperparameter optimization and cross-validation, RBF models were trained in less than one second per output, making them especially attractive for repeated surrogate updates within the adaptive optimization loop.
For each device family and each adaptive iteration, the supervised training script produces two CSV files: a summary table containing the selected model for each output and a detailed table containing the performance of every candidate model. The final paper should report RMSE, MAE, $R^2$, training time and selected hyperparameters for the relevant outputs. Special attention should be paid to the variables entering the objective function: $\varepsilon_{xy,i}$, $\TFD_i$ and $\TFD_f$.
The FEM validation of the optimized geometries is summarized in Table~\ref{tab:final_surrogate_comparison}. Only the final adaptive iteration of each geometry family is reported. The maximum variable error, $e_{\max}$, is computed as the largest relative error among all predicted quantities entering the objective function, namely ${\Exy}_i$, $\TFD_i$ and $\TFD_f$. The objective-function error, $|e_J|$, is reported in absolute value. Both supervised ML and RBF surrogates satisfy the adopted validation criteria in the final iteration for all geometry families, with $e_{\max}<5\%$ and $|e_J|<10$.
\begin{table*}[t]
\begin{table*}[ht!]
\centering
\caption{Template for reporting the supervised surrogate performance. Replace placeholders with the final results obtained from the training scripts.}\label{tab:ml_results_template}
\begin{tabular}{lllllll}
\caption{Final FEM validation of the optimized geometries obtained with supervised ML and RBF surrogates. The maximum variable error $e_{\max}$ is computed over the quantities entering the objective function, namely ${\Exy}_i$, $\TFD_i$ and $\TFD_f$. The objective error $|e_J|$ is reported in absolute value.}
\label{tab:final_surrogate_comparison}
\scriptsize
\begin{tabular}{llccccc}
\toprule
Family & Output & Best model & RMSE & MAE & $R^2$ & Training time [s] \\
Family & Surrogate & $\mathbf{t}_w^{\star}$ [mm] & $J_{\mathrm{surr}}$ & $J_{\mathrm{FEM}}$ & $|e_J|$ & $e_{\max}$ [\%] \\
\midrule
2W--B29--H30 & $\varepsilon_{xy,1}$ & [SVR/GPR/etc.] & [--] & [--] & [--] & [--] \\
2W--B29--H30 & $\TFD_1$ & [SVR/GPR/etc.] & [--] & [--] & [--] & [--] \\
2W--B29--H30 & $\TFD_f$ & [SVR/GPR/etc.] & [--] & [--] & [--] & [--] \\
3W--B34--H45 & $\varepsilon_{xy,i}$ & [SVR/GPR/etc.] & [--] & [--] & [--] & [--] \\
5W--H60 & $\TFD_i$ & [SVR/GPR/etc.] & [--] & [--] & [--] & [--] \\
\bottomrule
\end{tabular}
\end{table*}
Based on preliminary tests, it is expected that SVR and GPR will be among the most accurate models for several target variables. This should be confirmed quantitatively using the final cross-validation summaries.
\subsection{RBF validation and computational efficiency}\label{subsec:planned_rbf}
H30\_B29 & RBF
& $[12.56,\;14.79]$
& 0.00 & 0.41 & 0.41 & 0.29 \\
The RBF training script performs Leave-One-Out validation for each output and stores RMSE, MAE, $R^2$ and error-dispersion indicators. The comparison with supervised ML models should be presented in terms of both predictive accuracy and computational efficiency. RBF models are expected to be particularly competitive when the design space is low-dimensional and the FEM samples cover the domain adequately.
\begin{table*}[t]
\centering
\caption{Template for comparing supervised ML and RBF surrogates.}\label{tab:rbf_results_template}
\begin{tabular}{llllll}
\toprule
Family & Output & Best supervised model & Supervised RMSE & RBF LOO RMSE & Relative speed-up \\
H30\_B29 & Supervised ML
& $[12.53,\;14.75]$
& 0.00 & 0.08 & 0.08 & 3.14 \\
\midrule
2W--B29--H30 & $\varepsilon_{xy,1}$ & [--] & [--] & [--] & [--] \\
2W--B29--H30 & $\TFD_1$ & [--] & [--] & [--] & [--] \\
3W--B34--H45 & $\TFD_f$ & [--] & [--] & [--] & [--] \\
5W--H60 & $\varepsilon_{xy,i}$ & [--] & [--] & [--] & [--] \\
\bottomrule
\end{tabular}
\end{table*}
H30\_B34 & RBF
& $[14.77,\;18.95]$
& 688.53 & 691.06 & 2.53 & 0.10 \\
\subsection{Optimization results}\label{subsec:planned_opt}
H30\_B34 & Supervised ML
& $[15.20,\;20.00]$
& 796.29 & 802.64 & 6.35 & 0.64 \\
\midrule
H45\_B29 & RBF
& $[5.81,\;7.88,\;8.98]$
& 0.00 & 0.93 & 0.93 & 1.70 \\
For each surrogate type, device family, width identifier, window threshold and adaptive iteration, the optimization scripts export a CSV file containing the optimal thicknesses, objective value, predicted distortions, predicted window TFDMap values and predicted frame TFDMap. These results should be compared with the corresponding FEM validation values.
H45\_B29 & Supervised ML
& $[5.72,\;7.87,\;8.96]$
& 0.00 & 7.47 & 7.47 & 2.85 \\
\midrule
H45\_B34 & RBF
& $[6.81,\;9.02,\;9.65]$
& 0.00 & 1.39 & 1.39 & 4.21 \\
\begin{table*}[t]
\centering
\caption{Template for reporting optimized geometries and FEM validation.}\label{tab:optimization_template}
\begin{tabular}{llllllll}
\toprule
Family & Surrogate & $\TFD_w^{\star}$ & $t_{w,1}$ & $t_{w,2}$ & $t_{w,3}$ & $\max(\TFD_f)$ FEM & Accepted? \\
H45\_B34 & Supervised ML
& $[6.84,\;9.05,\;9.73]$
& 0.00 & 1.35 & 1.35 & 2.91 \\
\midrule
2W--B29--H30 & ML & 80 & [--] & [--] & -- & [--] & [yes/no] \\
2W--B29--H30 & RBF & 80 & [--] & [--] & -- & [--] & [yes/no] \\
3W--B34--H45 & ML & 90 & [--] & [--] & [--] & [--] & [yes/no] \\
3W--B34--H45 & RBF & 90 & [--] & [--] & [--] & [--] & [yes/no] \\
H60\_B34 & RBF
& $[5.77,\;7.38,\;8.37,\;6.18,\;5.00]$
& 17.74 & 19.26 & 1.51 & 2.66 \\
H60\_B34 & Supervised ML
& $[5.74,\;7.46,\;8.50,\;6.37,\;5.00]$
& 16.90 & 26.87 & 9.97 & 3.81 \\
\bottomrule
\end{tabular}
\end{table*}
The expected interpretation is that the optimized designs should approach the target window TFDMap level while keeping the frame below its admissible threshold. A successful optimization should also avoid concentrating almost all damage in a single window. Therefore, figures showing the window-to-window distribution of $\TFD_i$ and $\varepsilon_{xy,i}$ are recommended.
The final validation results show that both surrogate strategies provide FEM-consistent optimized geometries. RBF surrogates generally lead to lower objective-function discrepancies, with an average $|e_J|$ of 1.36, compared with 5.04 for the supervised ML surrogates. The average maximum variable error is also lower for RBF, with 1.79\% compared with 2.67\% for supervised ML. The RBF surrogate provides particularly accurate predictions for the two-window devices, with $e_{\max}$ below 0.3\%, while remaining below 4.3\% for the three- and five-window families. The supervised ML surrogates also satisfy all validation criteria, although they show larger discrepancies in some cases, especially for the H60\_B34 family, where the objective-function error reaches 9.97.
\begin{figure}[t]
\centering
\fbox{\parbox[c][0.25\textheight][c]{0.85\textwidth}{\centering Placeholder for final optimization results: predicted vs FEM $\TFD_i$, $\TFD_f$, $\varepsilon_{xy,i}$ and objective value for ML and RBF surrogates.}}
\caption{Recommended final validation plot comparing surrogate predictions and FEM results for the optimized geometries.}\label{fig:validation_results}
\end{figure}
The adaptive validation loop is essential to reach these levels of agreement. In several cases, the first surrogate-optimized candidate did not satisfy the error tolerances, particularly for the three- and five-window devices. After incorporating the additional FEM results and retraining the surrogates, the prediction errors decreased significantly. For instance, the maximum variable error of the RBF surrogate decreased from 13.70\% to 1.70\% in the H45\_B29 family, and from 11.44\% to 2.66\% in the H60\_B34 family. A similar behaviour was observed for the supervised ML surrogates, whose final candidates also satisfied all acceptance criteria. This confirms that the adaptive loop reduces the risk of accepting geometries that appear optimal only because of surrogate extrapolation errors.
The optimized geometries obtained with RBF and supervised ML surrogates are also very similar in most geometry families. In general, the difference in the optimized window thicknesses is below 0.1 mm and always below 0.2 mm, except for the H30\_B34 family. In this case, the differences reach 0.43 mm and 1.05 mm for the first and second windows, respectively. This family also presents the largest objective-function values, indicating that the prescribed damage targets, $\TFD_i$ and $\TFD_f$, cannot be fully maintained below the desired threshold within the admissible thickness range. Consequently, the optimizer is forced to find the best compromise between damage control and dissipative activation, which may amplify the differences between surrogate predictions. Even in this more demanding case, the FEM validation confirms that both surrogate strategies remain within the prescribed error limits.
\section{Discussion}\label{sec:discussion}
The optimized geometries are stable between consecutive adaptive iterations. The maximum change in any window thickness between the last two iterations remains below 5\% of the corresponding design range for all validated cases, with a maximum observed variation of 4.44\%. This indicates that the optimization process has converged not only in terms of surrogate prediction accuracy, but also in terms of the geometry proposed by the optimizer.
The proposed methodology addresses a central limitation of direct FEM-based damper optimization: the high cost of evaluating many nonlinear cyclic simulations. By training surrogate models on FEM-calibrated datasets, the optimizer can explore the design domain efficiently while retaining a connection to the underlying mechanics of the device. The adaptive validation loop is essential because it prevents the optimizer from relying blindly on surrogate predictions in regions where the training data may be sparse.
From a methodological point of view, these results highlight the trade-off between surrogate complexity, accuracy and computational efficiency. Supervised models, particularly SVR and GPR, provide high predictive accuracy and robustness, but require hyperparameter optimization and cross-validation for every output variable and adaptive iteration. RBF interpolation, in contrast, has a much lower training cost and provides very competitive final predictions once the relevant regions of the design domain have been adaptively sampled. Therefore, the comparison does not identify a universally superior surrogate strategy. Instead, it suggests that RBF interpolation is especially suitable for low- to moderate-dimensional design spaces with well-distributed FEM samples, whereas supervised ML models remain valuable when greater robustness is required or when the response surface is expected to be more complex.
The objective function also reflects the mechanical hierarchy of the BDSL device. Damage in the windows is not intrinsically undesirable; it is the intended mechanism for energy dissipation, provided that it remains below the adopted threshold and is reasonably distributed among windows. By contrast, damage in the frame is structurally more critical. The cubic frame penalty therefore gives the optimizer a clear preference for geometries that keep the frame safe, even if another geometry could dissipate slightly more energy. This is consistent with the design philosophy of replaceable dissipative devices, where controlled damage should be localized in predefined sacrificial regions.
The objective-function values should be interpreted carefully. The objective-function error measures the consistency between surrogate predictions and FEM validation, not whether the final objective value is necessarily close to zero. Some geometry families retain non-negligible penalty contributions because the prescribed damage targets cannot be fully achieved within the admissible design bounds. Nevertheless, the close agreement between surrogate and FEM objective values indicates that the accepted designs are not artifacts of surrogate prediction errors, but FEM-consistent optimized candidates within the explored design space.
The inclusion of RBF models is motivated by practical computational considerations. Supervised models such as SVR and GPR may provide high predictive accuracy, but they require hyperparameter optimization and cross-validation. RBF models, in contrast, can be trained with minimal overhead and can provide very fast predictions. Their performance is expected to depend strongly on the dimensionality of the design space and on the density of FEM sampling. Therefore, the final comparison should not identify a universally best surrogate, but rather establish when each surrogate class is preferable.
The proposed methodology addresses a central limitation of direct FEM-based damper optimization: the high cost of evaluating many nonlinear cyclic simulations. By training surrogate models on FEM-generated datasets and validating the optimized candidates through additional FEM analyses, the optimizer can explore the design domain efficiently while retaining consistency with the underlying mechanics of the device. The objective function also reflects the mechanical hierarchy of the BDSL damper. Damage in the windows is not intrinsically undesirable, since it is associated with the intended dissipative mechanism, provided that it remains below the adopted threshold and is reasonably distributed among windows. By contrast, damage in the frame is structurally more critical, as it may compromise the integrity of the device. The stronger frame penalty therefore guides the optimizer towards geometries that preserve the frame while using the windows as sacrificial dissipative regions.
Some limitations should be highlighted. First, the methodology is only as reliable as the calibrated FEM model used to generate the data. Second, TFDMap is used as a damage indicator and not as a direct fracture model. Third, the current optimization considers window thicknesses as design variables; additional variables such as window height, spacing, frame thickness or filler properties could be incorporated in future work but would require a larger FEM dataset. Finally, the optimized geometries should ultimately be validated experimentally before being used for design recommendations.
Several limitations should also be acknowledged. First, the reliability of the proposed framework depends on the quality of the calibrated FEM model used to generate the training data and validate the optimized geometries. Second, the TFDMap is used here as a post-processing damage indicator rather than as a constitutive fracture model, so the optimized designs should be interpreted in terms of relative damage control rather than direct crack prediction. Third, the present optimization considers only the window thicknesses as design variables. Additional parameters, such as window height, spacing, frame thickness or filler properties, could be incorporated in future work, although this would increase the dimensionality of the problem and require a larger FEM dataset. Finally, the optimized configurations should ultimately be validated experimentally before being used to derive general design recommendations.
\section{Conclusions}\label{sec:conclusions}
......@@ -418,7 +419,7 @@ This work presents an adaptive surrogate-assisted optimization framework for BDS
\item The adaptive FEM validation and retraining loop is a key component of the framework. A candidate geometry is accepted only if surrogate predictions match FEM results within the defined tolerances and if the optimized thicknesses remain stable between consecutive iterations.
\end{enumerate}
Once the final numerical campaign is completed, the placeholders in Section~\ref{sec:planned_results} should be replaced by the final model-selection tables, RBF validation metrics, optimized geometries and FEM-validation comparisons.
The numerical campaign reported in Section~\ref{sec:results} provides the final model-selection tables, RBF validation metrics, optimized geometries and FEM-validation comparisons.
%\backmatter
\bmsection*{Author contributions}
......
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