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Commit 0cc1ae5b authored by Thomas Purcell's avatar Thomas Purcell
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Add diff checker for gpu test 

Since the python install is not working use np.allclose against
ref data
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tests/gpu_test/check_model.py deleted 100644 → 0
+ 0
− 10
View file @ ae351abc
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
tests/gpu_test/regression/check_model.py
+ 11
− 8
View file @ 0cc1ae5b
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))
tests/gpu_test/regression/feature_space/phi.out deleted 100644 → 0
+ 0
− 3492
View file @ ae351abc
This diff is collapsed.
tests/gpu_test/regression/ref_models/test_dim_1_model_0.dat 0 → 100644
+ 21
− 0
View file @ 0cc1ae5b
# 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
tests/gpu_test/regression/ref_models/test_dim_2_model_0.dat 0 → 100644
+ 22
− 0
View file @ 0cc1ae5b
# 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
tests/gpu_test/regression/ref_models/train_dim_1_model_0.dat 0 → 100644
+ 110
− 0
View file @ 0cc1ae5b
# 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
tests/gpu_test/regression/ref_models/train_dim_2_model_0.dat 0 → 100644
+ 111
− 0
View file @ 0cc1ae5b
# 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 , 3.895694030199360e+05, 3.895694030199360e+05, 2.998984401431883e-07, -4.735112899342180e+03
14 , 1.097874595585220e+06, 1.097874595585217e+06, 8.407905381849567e-08, -1.334444431744320e+04
15 , 8.965124261335440e+05, 8.965124261335426e+05, 6.976681145109002e-08, -1.089692074980790e+04
16 , 1.247533441655420e+04, 1.247533441655385e+04, 4.240950437796524e-07, -1.515974225629470e+02
17 , 6.432185312889291e+05, 6.432185312889284e+05, 2.623773234135730e-08, -7.818175726058230e+03
18 , 8.880982463097370e+05, 8.880982463097402e+05, 5.111909378807164e-08, -1.079464779815330e+04
19 , 1.636015660236120e+06, 1.636015660236114e+06, 1.749950739140699e-05, -1.988545915820950e+04
20 , 1.523022284718580e+06, 1.523022284718574e+06, 7.444571741652756e-09, -1.851204353288280e+04
21 , -1.806691656141680e+04, -1.806691656141721e+04, 5.124135740795190e-09, 2.196385414124870e+02
22 , 7.535749948523890e+05, 7.535749948523892e+05, 2.530373185333834e-04, -9.159540147270080e+03
23 , 4.846796705070550e+05, 4.846796705070555e+05, 1.516116594933527e-08, -5.891162329220520e+03
24 , 1.418886295186410e+06, 1.418886295186410e+06, 5.602337173621954e-08, -1.724628795768190e+04
25 , 7.468643665926130e+05, 7.468643665926139e+05, 7.350449259326487e-08, -9.077973558414231e+03
26 , 8.266764695919290e+05, 8.266764695919302e+05, 1.227812638317768e-08, -1.004807635182430e+04
27 , 9.048709052557090e+05, 9.048709052557111e+05, 9.684184878175625e-06, -1.099851666957070e+04
28 , 1.081673040470480e+06, 1.081673040470487e+06, 3.095754649186859e-08, -1.314751711863250e+04
29 , 1.602766311029420e+06, 1.602766311029422e+06, 1.942687305315588e-07, -1.948131886552650e+04
30 , 8.482960813663350e+05, 8.482960813663343e+05, 1.994254893455139e-07, -1.031085912521390e+04
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tests/gpu_test/sisso.json deleted 100644 → 0
+ 0
− 16
View file @ ae351abc
{
"desc_dim": 2,
"n_sis_select": 1,
"max_rung": 2,
"n_residual": 1,
"data_file": "data.csv",
"property_key": "Prop",
"task_key": "Task",
"leave_out_frac": 0.05,
"n_models_store": 1,
"leave_out_inds": [0, 1, 2, 60, 61],
"opset": ["add", "sub", "abs_diff", "mult", "div", "inv", "abs", "exp", "log", "sin", "cos", "sq", "cb", "six_pow", "sqrt", "cbrt", "neg_exp"],
"param_opset": {
},
"fix_intercept": false
}
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