diff --git a/tests/gpu_test/check_model.py b/tests/gpu_test/check_model.py deleted file mode 100644 index 183a6c1712ceacec2a96d313d41a9f191952bb0d..0000000000000000000000000000000000000000 --- a/tests/gpu_test/check_model.py +++ /dev/null @@ -1,10 +0,0 @@ -from sissopp import ModelRegressor -from pathlib import Path - -import numpy as np - -model = ModelRegressor( - str("models/train_dim_2_model_0.dat"), str("models/test_dim_2_model_0.dat") -) -assert model.rmse < 1e-4 -assert model.test_rmse < 1e-4 diff --git a/tests/gpu_test/regression/check_model.py b/tests/gpu_test/regression/check_model.py index 183a6c1712ceacec2a96d313d41a9f191952bb0d..24c5dde8fc4fc915efa4401874be2e8987efb10d 100644 --- a/tests/gpu_test/regression/check_model.py +++ b/tests/gpu_test/regression/check_model.py @@ -1,10 +1,13 @@ -from sissopp import ModelRegressor -from pathlib import Path - import numpy as np -model = ModelRegressor( - str("models/train_dim_2_model_0.dat"), str("models/test_dim_2_model_0.dat") -) -assert model.rmse < 1e-4 -assert model.test_rmse < 1e-4 +def get_data(train=True): + typ = "train" if train else "test" + ref_data = np.genfromtxt(f"ref_models/{typ}_dim_2_model_0.dat", delimiter=",", usecols=(0,1)) + test_data = np.genfromtxt(f"models/{typ}_dim_2_model_0.dat", delimiter=",", usecols=(0,1)) + + return ref_data, test_data + + +assert np.allclose(*get_data(True)) +assert np.allclose(*get_data(False)) + diff --git a/tests/gpu_test/regression/feature_space/phi.out b/tests/gpu_test/regression/feature_space/phi.out deleted file mode 100644 index acb70639c5479bcb39cdb585a6c124a8826cfc40..0000000000000000000000000000000000000000 --- a/tests/gpu_test/regression/feature_space/phi.out +++ /dev/null @@ -1,3492 +0,0 @@ -# Number of Features: 3490 -# Maximum Rung of the Calculation: 2 -0 -1 -2 -3 -3|sp -2|abs -2|sin -2|cos -2|1|mult -2|1|div -2|3|div -3|0|mult -3|0|div -3|exp -3|inv -3|sq -3|cb -2|cbrt -3|cbrt -3|abs -3|sin -3|cos -3|1|mult -3|1|div -3|2|add -3|2|sub -3|2|abd 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-3|1|mult|1|add -3|1|mult|1|sub -3|1|mult|1|abd -3|1|mult|1|mult -3|1|mult|2|mult -3|1|mult|2|div -3|1|mult|3|mult -3|1|mult|3|sp|mult -3|cos|3|abs|div -3|cos|2|cbrt|sub -3|cos|2|cbrt|abd -3|cos|2|cbrt|mult -3|cos|2|cbrt|div -3|cos|3|cbrt|add -3|cos|3|cbrt|sub -3|cos|3|cbrt|mult -3|cos|3|cbrt|div -3|cos|3|abs|add -3|cos|3|abs|sub -3|cos|3|abs|abd -3|cos|3|abs|mult -0|3|sp|div -3|cos|3|sin|add -3|cos|3|sin|sub -3|cos|3|sin|abd -3|cos|3|sin|mult -3|cos|3|sin|div -3|cos|3|1|mult|div -3|cos|3|2|add|div -3|cos|3|2|sub|div -3|cos|3|2|abd|div -3|cos|3|2|mult|div -3|cos|1|cb|div -3|cos|0|sq|div diff --git a/tests/gpu_test/regression/ref_models/test_dim_1_model_0.dat b/tests/gpu_test/regression/ref_models/test_dim_1_model_0.dat new file mode 100644 index 0000000000000000000000000000000000000000..286f1a6b53d8b5178346d442dd1eab4cde565b61 --- /dev/null +++ b/tests/gpu_test/regression/ref_models/test_dim_1_model_0.dat @@ -0,0 +1,21 @@ +# c0 + a0 * ((D * C) / (|D|)) +# Property Label: $Prop$; Unit of the Property: Unitless +# RMSE: 0.00117472518047626; Max AE: 0.00254619866609573 +# Coefficients +# Task a0 c0 +# X , -8.227179994737607e+01, 3.141907601485411e+00, +# Y , 1.423658997441784e+02, -5.255424024905180e+00, +# Feature Rung, Units, and Expressions +# 0; 2; Unitless; 3|2|mult|3|abs|div; ((D * C) / (|D|)); $\left(\frac{ \left(D C\right) }{ \left(\left|D\right|\right) } \right)$; ((D .* C) ./ abs(D)); D,C,D +# Number of Samples Per Task +# Task, n_samples +# X , 3 +# Y , 2 +# Excluded Indexes: [ 0, 1, 2, 60, 61 ] + +# Sample ID , Property Value , Property Value (EST) , Feature 0 Value +1 , 1.031303343104370e+06, 1.031303342762685e+06, -1.253528185252710e+04 +2 , 2.071791819726890e+05, 2.071791821627741e+05, -2.518190198679130e+03 +3 , 5.945479900349240e+05, 5.945479899727913e+05, -7.226593418953780e+03 +61 , -1.747903770607640e+06, -1.747903768061441e+06, -1.227750827816400e+04 +62 , -6.020310027164250e+05, -6.020310022064967e+05, -4.228721539808830e+03 diff --git a/tests/gpu_test/regression/ref_models/test_dim_2_model_0.dat b/tests/gpu_test/regression/ref_models/test_dim_2_model_0.dat new file mode 100644 index 0000000000000000000000000000000000000000..9e24099a0e2e01b2b19b03938cefebb38cd732c2 --- /dev/null +++ b/tests/gpu_test/regression/ref_models/test_dim_2_model_0.dat @@ -0,0 +1,22 @@ +# c0 + a0 * (B / (A^2)) + a1 * ((D * C) / (|D|)) +# Property Label: $Prop$; Unit of the Property: Unitless +# RMSE: 1.82144411053583e-09; Max AE: 3.25962901115417e-09 +# Coefficients +# Task a0 a1 c0 +# X , -7.215479542045696e+00, -8.227180000000007e+01, 3.141589999624478e+00, +# Y , 9.914521341156421e+01, 1.423659000000001e+02, -5.254860000136978e+00, +# Feature Rung, Units, and Expressions +# 0; 2; m^-2 * s; 1|0|sq|div; (B / (A^2)); $\left(\frac{ B }{ \left(A^2\right) } \right)$; (B ./ (A).^2); B,A +# 1; 2; Unitless; 3|2|mult|3|abs|div; ((D * C) / (|D|)); $\left(\frac{ \left(D C\right) }{ \left(\left|D\right|\right) } \right)$; ((D .* C) ./ abs(D)); D,C,D +# Number of Samples Per Task +# Task, n_samples +# X , 3 +# Y , 2 +# Excluded Indexes: [ 0, 1, 2, 60, 61 ] + +# Sample ID , Property Value , Property Value (EST) , Feature 0 Value , Feature 1 Value +1 , 1.031303343104370e+06, 1.031303343104372e+06, 5.087963053254981e-08, -1.253528185252710e+04 +2 , 2.071791819726890e+05, 2.071791819726897e+05, 6.929206698600502e-07, -2.518190198679130e+03 +3 , 5.945479900349240e+05, 5.945479900349238e+05, 7.732840323401594e-08, -7.226593418953780e+03 +61 , -1.747903770607640e+06, -1.747903770607637e+06, 3.089720438913970e-07, -1.227750827816400e+04 +62 , -6.020310027164250e+05, -6.020310027164250e+05, 7.913240374082342e-08, -4.228721539808830e+03 diff --git a/tests/gpu_test/regression/ref_models/train_dim_1_model_0.dat b/tests/gpu_test/regression/ref_models/train_dim_1_model_0.dat new file mode 100644 index 0000000000000000000000000000000000000000..a588ad50e67cf60e41a584a241ccc70ea8904020 --- /dev/null +++ b/tests/gpu_test/regression/ref_models/train_dim_1_model_0.dat @@ -0,0 +1,110 @@ +# c0 + a0 * ((D * C) / (|D|)) +# Property Label: $Prop$; Unit of the Property: Unitless +# RMSE: 0.00795265735038394; Max AE: 0.0742283659055829 +# Coefficients +# Task a0 c0 +# X , -8.227179994737607e+01, 3.141907601485411e+00, +# Y , 1.423658997441784e+02, -5.255424024905180e+00, +# Feature Rung, Units, and Expressions +# 0; 2; Unitless; 3|2|mult|3|abs|div; ((D * C) / (|D|)); $\left(\frac{ \left(D C\right) }{ \left(\left|D\right|\right) } \right)$; ((D .* C) ./ abs(D)); D,C,D +# Number of Samples Per Task +# Task, n_samples +# X , 57 +# Y , 38 + +# Sample ID , Property Value , Property Value (EST) , Feature 0 Value +4 , 1.431871750857350e+06, 1.431871750278545e+06, -1.740412400466280e+04 +5 , 2.132341513916110e+06, 2.132341512869940e+06, -2.591821708442330e+04 +6 , 1.849456859032140e+06, 1.849456858166879e+06, -2.247980131031840e+04 +7 , 4.163774736839510e+05, 4.163774737353967e+05, -5.060960524677020e+03 +8 , 1.834852243834940e+06, 1.834852257828154e+06, -2.230228483021140e+04 +9 , 2.030615002138700e+06, 2.030615001157598e+06, -2.468174830924870e+04 +10 , 4.182049069917290e+05, 4.182049070422191e+05, -5.083172671585090e+03 +11 , 1.600764653367910e+06, 1.600764652662742e+06, -1.945698905067160e+04 +12 , -2.374423038913250e+05, -2.374423034211579e+05, 2.886109766416170e+03 +13 , 3.895694030199360e+05, 3.895694030905212e+05, -4.735112899342180e+03 +14 , 1.097874595585220e+06, 1.097874595201188e+06, -1.334444431744320e+04 +15 , 8.965124261335440e+05, 8.965124258782082e+05, -1.089692074980790e+04 +16 , 1.247533441655420e+04, 1.247533472923810e+04, -1.515974225629470e+02 +17 , 6.432185312889291e+05, 6.432185311952959e+05, -7.818175726058230e+03 +18 , 8.880982463097370e+05, 8.880982460596533e+05, -1.079464779815330e+04 +19 , 1.636015660236120e+06, 1.636015659633531e+06, -1.988545915820950e+04 +20 , 1.523022284718580e+06, 1.523022284062052e+06, -1.851204353288280e+04 +21 , -1.806691656141680e+04, -1.806691623222012e+04, 2.196385414124870e+02 +22 , 7.535749948523890e+05, 7.535749965137650e+05, -9.159540147270080e+03 +23 , 4.846796705070550e+05, 4.846796705147502e+05, -5.891162329220520e+03 +24 , 1.418886295186410e+06, 1.418886294596848e+06, -1.724628795768190e+04 +25 , 7.468643665926130e+05, 7.468643664330267e+05, -9.077973558414231e+03 +26 , 8.266764695919290e+05, 8.266764693808507e+05, -1.004807635182430e+04 +27 , 9.048709052557090e+05, 9.048709050644030e+05, -1.099851666957070e+04 +28 , 1.081673040470480e+06, 1.081673040096437e+06, -1.314751711863250e+04 +29 , 1.602766311029420e+06, 1.602766310323241e+06, -1.948131886552650e+04 +30 , 8.482960813663350e+05, 8.482960811427764e+05, -1.031085912521390e+04 +31 , 8.819870504835790e+05, 8.819870502374509e+05, -1.072036723268480e+04 +32 , 1.384967839241260e+06, 1.384967838673321e+06, -1.683401478576610e+04 +33 , 1.435243993088210e+06, 1.435243992488033e+06, -1.744511304600680e+04 +34 , 1.482822441554200e+06, 1.482822440923501e+06, -1.802342114751790e+04 +35 , 1.159462504579730e+06, 1.159462504155730e+06, -1.409303507386200e+04 +36 , 1.385445915520980e+06, 1.385445914952452e+06, -1.683982572316430e+04 +37 , 1.078840903789160e+06, 1.078840903417250e+06, -1.311309296988410e+04 +38 , 3.220723182574270e+05, 3.220723183695077e+05, -3.914697097522030e+03 +39 , 1.547503571926120e+06, 1.547503571256304e+06, -1.880960949363620e+04 +40 , 1.174714507507300e+06, 1.174714507073817e+06, -1.427842062429170e+04 +41 , 9.487534028084230e+04, 9.487534054210276e+04, -1.153155743464770e+03 +42 , 3.621603641205080e+05, 3.621603642064853e+05, -4.401960605341470e+03 +43 , 6.736173787551570e+05, 6.736173786425431e+05, -8.187668644247590e+03 +44 , 8.823510522257930e+05, 8.823510519792354e+05, -1.072479161311670e+04 +45 , 2.240093900663180e+04, 2.240093931158905e+04, -2.722414900161900e+02 +46 , 1.781136797772570e+06, 1.781136796951420e+06, -2.164938236653500e+04 +47 , 6.214166082804410e+05, 6.214166082010546e+05, -7.553176990061370e+03 +48 , 7.504118855811940e+05, 7.504118854190203e+05, -9.121093059728930e+03 +49 , 1.525062498013260e+06, 1.525062497355700e+06, -1.853684198502500e+04 +50 , 6.790682085352920e+05, 6.790682084187639e+05, -8.253922570619779e+03 +51 , 4.478266872045060e+05, 4.478266872639645e+05, -5.443220467314520e+03 +52 , 3.368902807230350e+05, 3.368902808254382e+05, -4.094806958560790e+03 +53 , 4.680791492170390e+05, 4.680791492352947e+05, -5.689385763130150e+03 +54 , 1.404060535190450e+06, 1.404060534612354e+06, -1.706608331898460e+04 +55 , 1.827150953904310e+06, 1.827150953053618e+06, -2.220867675576230e+04 +56 , -3.339445722172610e+04, -3.339445688153141e+04, 4.059422403605510e+02 +57 , 1.443453595965310e+06, 1.443453595359881e+06, -1.754489939901110e+04 +58 , 1.550858369653510e+06, 1.550858368979261e+06, -1.885038650015730e+04 +59 , 3.296237786603260e+05, 3.296237787739641e+05, -4.006483838656740e+03 +60 , 5.963622714767930e+05, 5.963622714228497e+05, -7.248645707237480e+03 +63 , -9.149156549019570e+05, -9.149156538323838e+05, -6.426471507941080e+03 +64 , -1.293976980851750e+06, -1.293976979091831e+06, -9.089056620953350e+03 +65 , -5.569920711895199e+05, -5.569920707557889e+05, -3.912361150617040e+03 +66 , -2.294033396379730e+06, -2.294033392823714e+06, -1.611360685053020e+04 +67 , -1.213629166754780e+06, -1.213629165140686e+06, -8.524681204540260e+03 +68 , 2.928090050997690e+05, 2.928090040063108e+05, 2.056772443095590e+03 +69 , -2.235342648617320e+06, -2.235342645375133e+06, -1.570135400378780e+04 +70 , -3.732932410426960e+06, -3.732932404284742e+06, -2.622065505551910e+04 +71 , -2.522104747768270e+05, -2.522104749160763e+05, -1.771528293961170e+03 +72 , -9.888966566957420e+04, -9.888966605835767e+04, -6.945793256111270e+02 +73 , -1.370204376681970e+06, -1.370204374791048e+06, -9.624489585140651e+03 +74 , -3.104420517264010e+06, -3.104420512254009e+06, -2.180589075339250e+04 +75 , -2.388277988221880e+06, -2.388277984573504e+06, -1.677559537389950e+04 +76 , -7.249776584633330e+05, -7.249776577264065e+05, -5.092317778380260e+03 +77 , -1.794477913928580e+06, -1.794477911474825e+06, -1.260465223255950e+04 +78 , -2.232131158999780e+05, -2.232131160674875e+05, -1.567846380661040e+03 +79 , 4.230460058498780e+05, 4.230460045065499e+05, 2.971577187309379e+03 +80 , -3.047818615882230e+06, -3.047818611124218e+06, -2.140831028481470e+04 +81 , -2.409342601537700e+06, -2.409342597776131e+06, -1.692355646037090e+04 +82 , -7.428145854664950e+05, -7.428145846966265e+05, -5.217607099785680e+03 +83 , -5.715794306470060e+05, -5.715794301881655e+05, -4.014825009298010e+03 +84 , -2.195610268663400e+06, -2.195610265282217e+06, -1.542226764838730e+04 +85 , -9.640203794275450e+05, -9.640203783527517e+05, -6.771390653667730e+03 +86 , -2.102214669944520e+06, -2.102214669171754e+06, -1.476624260110920e+04 +87 , -8.906491793373150e+05, -8.906491783081728e+05, -6.256020047529450e+03 +88 , -2.207063832186290e+06, -2.207063828798665e+06, -1.550271924204160e+04 +89 , -7.494023253802230e+05, -7.494023245996144e+05, -5.263880399184100e+03 +90 , -2.494089085594850e+06, -2.494089159823216e+06, -1.751882936068880e+04 +91 , -7.584800943859300e+05, -7.584800935917828e+05, -5.327644046296790e+03 +92 , -2.025827981910110e+06, -2.025827979423737e+06, -1.422969073099650e+04 +93 , -2.354065357355290e+06, -2.354065353691079e+06, -1.653528058683390e+04 +94 , -1.588621543140250e+06, -1.588621540851192e+06, -1.115868538942120e+04 +95 , -3.175419951886790e+06, -3.175419946746317e+06, -2.230460171310890e+04 +96 , -2.152215923304610e+06, -2.152215920001296e+06, -1.511745908567040e+04 +97 , -5.471576306240950e+05, -5.471576329142408e+05, -3.843282545001370e+03 +98 , -2.672876703571220e+06, -2.672876699333198e+06, -1.877466056627420e+04 +99 , -2.080211959730500e+06, -2.080211956561859e+06, -1.461169215996120e+04 +100 , -2.578377052468330e+06, -2.578377049633833e+06, -1.811088047659560e+04 diff --git a/tests/gpu_test/regression/ref_models/train_dim_2_model_0.dat b/tests/gpu_test/regression/ref_models/train_dim_2_model_0.dat new file mode 100644 index 0000000000000000000000000000000000000000..e6808f13cc354b7c1e28f29e6fdc35401045a7cd --- /dev/null +++ b/tests/gpu_test/regression/ref_models/train_dim_2_model_0.dat @@ -0,0 +1,111 @@ +# c0 + a0 * (B / (A^2)) + a1 * ((D * C) / (|D|)) +# Property Label: $Prop$; Unit of the Property: Unitless +# RMSE: 2.7029655595438e-09; Max AE: 9.31322574615479e-09 +# Coefficients +# Task a0 a1 c0 +# X , -7.215479542045696e+00, -8.227180000000007e+01, 3.141589999624478e+00, +# Y , 9.914521341156421e+01, 1.423659000000001e+02, -5.254860000136978e+00, +# Feature Rung, Units, and Expressions +# 0; 2; m^-2 * s; 1|0|sq|div; (B / (A^2)); $\left(\frac{ B }{ \left(A^2\right) } \right)$; (B ./ (A).^2); B,A +# 1; 2; Unitless; 3|2|mult|3|abs|div; ((D * C) / (|D|)); $\left(\frac{ \left(D C\right) }{ \left(\left|D\right|\right) } \right)$; ((D .* C) ./ abs(D)); D,C,D +# Number of Samples Per Task +# Task, n_samples +# X , 57 +# Y , 38 + +# Sample ID , Property Value , Property Value (EST) , Feature 0 Value , Feature 1 Value +4 , 1.431871750857350e+06, 1.431871750857357e+06, 2.697060006837511e-06, -1.740412400466280e+04 +5 , 2.132341513916110e+06, 2.132341513916109e+06, 2.065168448030928e-08, -2.591821708442330e+04 +6 , 1.849456859032140e+06, 1.849456859032137e+06, 1.626134513838345e-08, -2.247980131031840e+04 +7 , 4.163774736839510e+05, 4.163774736839512e+05, 2.378687110561754e-08, -5.060960524677020e+03 +8 , 1.834852243834940e+06, 1.834852243834940e+06, 2.057971012989485e-03, -2.230228483021140e+04 +9 , 2.030615002138700e+06, 2.030615002138702e+06, 2.033750916695686e-08, -2.468174830924870e+04 +10 , 4.182049069917290e+05, 4.182049069917287e+05, 5.342688466073691e-08, -5.083172671585090e+03 +11 , 1.600764653367910e+06, 1.600764653367909e+06, 1.574249399443083e-07, -1.945698905067160e+04 +12 , -2.374423038913250e+05, -2.374423038913255e+05, 9.522984388019029e-08, 2.886109766416170e+03 +13 , 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