results: copied aflow results from v113 to v115

Since the whole point of v115 is to compare the performance against aflow in an equal playing field. #113 #115
jyaacoub · Jul 10, 2024 · aa2eac6 · aa2eac6
1 parent fd52afa
commit aa2eac6
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Showing 3 changed files with 23 additions and 13 deletions.
diff --git a/playground.py b/playground.py
@@ -1,13 +1,3 @@
-# %%
-from src.train_test.splitting import resplit
-from src import cfg
-
-db_p = lambda x: f'{cfg.DATA_ROOT}/DavisKibaDataset/davis/nomsa_{x}_original_binary'
-
-db = resplit(dataset=db_p('binary'), split_files=db_p('aflow'), use_train_set=True)
-
-
-
 # %%
 ########################################################################
 ########################## VIOLIN PLOTTING #############################
@@ -23,7 +13,7 @@
 
 models = {
     'DG': ('nomsa', 'binary', 'original', 'binary'),
-    # 'esm': ('ESM', 'binary', 'original', 'binary'), # esm model
+    'esm': ('ESM', 'binary', 'original', 'binary'), # esm model
     'aflow': ('nomsa', 'aflow', 'original', 'binary'),
     # 'gvpP': ('gvp', 'binary', 'original', 'binary'),
     'gvpL': ('nomsa', 'binary', 'gvp', 'binary'),
@@ -34,13 +24,13 @@
     # 'gvpl_esm_aflow': ('ESM', 'aflow', 'gvp', 'binary'),
 }
 
-df = prepare_df('./results/v113/model_media/model_stats.csv')
+df = prepare_df('./results/v115/model_media/model_stats.csv')
 fig, axes = fig_combined(df, datasets=['davis'], fig_callable=custom_fig,
              models=models, metrics=['cindex', 'mse'],
              fig_scale=(10,5), add_stats=True, title_postfix=" test set performance")
 plt.xticks(rotation=45)
 
-df = prepare_df('./results/v113/model_media/model_stats_val.csv')
+df = prepare_df('./results/v115/model_media/model_stats_val.csv')
 fig, axes = fig_combined(df, datasets=['davis'], fig_callable=custom_fig,
              models=models, metrics=['cindex', 'mse'],
              fig_scale=(10,5), add_stats=True, title_postfix=" validation set performance")

diff --git a/results/v115/model_media/model_stats.csv b/results/v115/model_media/model_stats.csv
@@ -9,3 +9,13 @@ GVPLM_davis1D_nomsaF_binaryE_128B_0.00020535607176845963LR_0.08845592454543601D_
 GVPLM_davis3D_nomsaF_binaryE_128B_0.00020535607176845963LR_0.08845592454543601D_2000E_gvpLF_binaryLE,0.7471535855123098,0.441710216665843,0.4613052477455492,0.8885834379930146,0.5305747291450008,0.9426470378635976
 GVPLM_davis2D_nomsaF_binaryE_128B_0.00020535607176845963LR_0.08845592454543601D_2000E_gvpLF_binaryLE,0.7296485716445884,0.4054334215308577,0.4335391243636884,0.9631544322037824,0.5330878745876734,0.9814043163771914
 GVPLM_davis4D_nomsaF_binaryE_128B_0.00020535607176845963LR_0.08845592454543601D_2000E_gvpLF_binaryLE,0.7766749700560678,0.49090463554510744,0.517758159045675,0.8430872429869354,0.5006691044680186,0.9181978234492475
+DGM_davis0D_nomsaF_aflowE_128B_0.0008279387625584954LR_0.3480347297724069D_2000E_originalLF_binaryLE,0.6936121435080361,0.3264373697380284,0.3623624786171266,0.955541722461442,0.5866414782306556,0.9775181443131592
+DGM_davis2D_nomsaF_aflowE_128B_0.0008279387625584954LR_0.3480347297724069D_2000E_originalLF_binaryLE,0.6954896081622584,0.3276610988554868,0.3660103054199092,0.9501814404206184,0.5941079377785988,0.9747725070090038
+DGM_davis1D_nomsaF_aflowE_128B_0.0008279387625584954LR_0.3480347297724069D_2000E_originalLF_binaryLE,0.6958698762052185,0.3287337103560256,0.3663455614887089,0.9508110868966404,0.5924060765434714,0.9750954245081044
+DGM_davis4D_nomsaF_aflowE_128B_0.0008279387625584954LR_0.3480347297724069D_2000E_originalLF_binaryLE,0.6921726461681715,0.328433593374192,0.3581768615124882,0.9489810461762982,0.598616964334737,0.974156581960158
+DGM_davis3D_nomsaF_aflowE_128B_0.0008279387625584954LR_0.3480347297724069D_2000E_originalLF_binaryLE,0.691988107981202,0.3206628430008865,0.3595820594502304,0.9616201903122608,0.5948554296233561,0.9806223484666564
+GVPLM_davis0D_nomsaF_aflowE_128B_0.00014968791626986144LR_0.00039427600918916277D_2000E_gvpLF_binaryLE,0.7120142318237347,0.3830589592680732,0.400661326698907,0.9422431676298167,0.5708391885333287,0.9706921075345244
+GVPLM_davis2D_nomsaF_aflowE_128B_0.00014968791626986144LR_0.00039427600918916277D_2000E_gvpLF_binaryLE,0.6758544466241947,0.3482148623183911,0.3313455573966994,0.9952058429887072,0.5672084597638211,0.9976000415941788
+GVPLM_davis1D_nomsaF_aflowE_128B_0.00014968791626986144LR_0.00039427600918916277D_2000E_gvpLF_binaryLE,0.7715096417472135,0.5070999916573449,0.505118493158149,0.8228862016569322,0.521357725135223,0.90713075223858
+GVPLM_davis3D_nomsaF_aflowE_128B_0.00014968791626986144LR_0.00039427600918916277D_2000E_gvpLF_binaryLE,0.7784890152525039,0.5548561075227736,0.519896821064786,0.7201384467294399,0.534564816284727,0.8486097140201967
+GVPLM_davis4D_nomsaF_aflowE_128B_0.00014968791626986144LR_0.00039427600918916277D_2000E_gvpLF_binaryLE,0.7591851271174638,0.4580465758811774,0.49007259211942494,0.8589132362281114,0.5267642440549613,0.9267757205646421
diff --git a/results/v115/model_media/model_stats_val.csv b/results/v115/model_media/model_stats_val.csv
@@ -9,3 +9,13 @@ GVPLM_davis1D_nomsaF_binaryE_128B_0.00020535607176845963LR_0.08845592454543601D_
 GVPLM_davis3D_nomsaF_binaryE_128B_0.00020535607176845963LR_0.08845592454543601D_2000E_gvpLF_binaryLE,0.787998863216255,0.6496858069147042,0.5512058721043596,0.514104358724952,0.3910173775713428,0.7170107103279225
 GVPLM_davis2D_nomsaF_binaryE_128B_0.00020535607176845963LR_0.08845592454543601D_2000E_gvpLF_binaryLE,0.7967836291150775,0.6451761145051786,0.5463163388068719,0.4095255233260228,0.3658814668230407,0.6399418124533064
 GVPLM_davis4D_nomsaF_binaryE_128B_0.00020535607176845963LR_0.08845592454543601D_2000E_gvpLF_binaryLE,0.8219808050688133,0.6626969205508393,0.5802516690923312,0.40973373000931657,0.367932745329649,0.6401044680435504
+DGM_davis0D_nomsaF_aflowE_128B_0.0008279387625584954LR_0.3480347297724069D_2000E_originalLF_binaryLE,0.7523695779428693,0.4682407034650613,0.4649581513699286,0.6092224587753515,0.4834460555550886,0.7805270391058541
+DGM_davis2D_nomsaF_aflowE_128B_0.0008279387625584954LR_0.3480347297724069D_2000E_originalLF_binaryLE,0.7762332212240666,0.5470881337730895,0.5112932834407308,0.4740730581497179,0.4375338560757152,0.688529634910305
+DGM_davis1D_nomsaF_aflowE_128B_0.0008279387625584954LR_0.3480347297724069D_2000E_originalLF_binaryLE,0.7570127033757169,0.5114232635236531,0.4736185104310603,0.5234106486856192,0.4567883369677207,0.723471249384258
+DGM_davis4D_nomsaF_aflowE_128B_0.0008279387625584954LR_0.3480347297724069D_2000E_originalLF_binaryLE,0.7801250458793092,0.5321007699350608,0.5131027258344268,0.5202149722288628,0.4510516971865327,0.7212592961126136
+DGM_davis3D_nomsaF_aflowE_128B_0.0008279387625584954LR_0.3480347297724069D_2000E_originalLF_binaryLE,0.7450873842292931,0.4893503545803986,0.4778696104467196,0.6419698895173639,0.490655592843598,0.8012302350244678
+GVPLM_davis0D_nomsaF_aflowE_128B_0.00014968791626986144LR_0.00039427600918916277D_2000E_gvpLF_binaryLE,0.7676686087397216,0.6398302090119784,0.4874074774095251,0.4720718172086983,0.4122438906773314,0.687074826499049
+GVPLM_davis2D_nomsaF_aflowE_128B_0.00014968791626986144LR_0.00039427600918916277D_2000E_gvpLF_binaryLE,0.8056817717122009,0.6600120446400118,0.5615058375759591,0.3972760533222704,0.3633167063701174,0.630298384356386
+GVPLM_davis1D_nomsaF_aflowE_128B_0.00014968791626986144LR_0.00039427600918916277D_2000E_gvpLF_binaryLE,0.7796812905632664,0.6418365067480541,0.508433155533638,0.4350043675747687,0.3998515603735166,0.6595486089552223
+GVPLM_davis3D_nomsaF_aflowE_128B_0.00014968791626986144LR_0.00039427600918916277D_2000E_gvpLF_binaryLE,0.7920895987899996,0.6645194989409928,0.5585099170472267,0.469367754560377,0.4311579323672002,0.6851041924848928
+GVPLM_davis4D_nomsaF_aflowE_128B_0.00014968791626986144LR_0.00039427600918916277D_2000E_gvpLF_binaryLE,0.829644425075257,0.7189969797010738,0.591263254476021,0.35142261273003306,0.3509021611774669,0.5928090862411212