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Merge pull request #4 from AdityaSavara/CheKiPEUQ-integration
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Che ki peuq integration
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@AdityaSavara
AdityaSavara authored Jan 18, 2021
2 parents 839087d + 7bfb888 commit 80f7aa6
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Showing 16 changed files with 4,034 additions and 218 deletions.
522 changes: 325 additions & 197 deletions src/UI/main_window.ui
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17 changes: 13 additions & 4 deletions src/config_io.py
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Original file line number Diff line number Diff line change
Expand Up @@ -107,9 +107,12 @@ def setDefault(self):
},
'Optimization Settings': {
'time uncertainty': 0.0,
'loss function scale': 'Linear',
'objective function type': 'Residual',
'objective function scale': 'Linear',
'loss function alpha': -2.00,
'loss function c': 1.00,
'Bayesian distribution type': 'Gaussian',
'Bayesian uncertainty sigma': 3.0,
'multiprocessing': True,
'enabled': {'global': True, 'local': True},
'algorithm': {'global': 'CRS (Controlled Random Search)', 'local': 'Subplex'},
Expand Down Expand Up @@ -226,9 +229,12 @@ def load(self):

## Set Optimization Settings ##
parent.time_unc_box.setValue(settings['opt']['time uncertainty'])
parent.resid_scale_box.setCurrentIndex(parent.resid_scale_box.findText(settings['opt']['loss function scale']))
parent.obj_fcn_type_box.setCurrentIndex(parent.obj_fcn_type_box.findText(settings['opt']['objective function type']))
parent.obj_fcn_scale_box.setCurrentIndex(parent.obj_fcn_scale_box.findText(settings['opt']['objective function scale']))
parent.loss_alpha_box.setValue(settings['opt']['loss function alpha'])
parent.loss_c_box.setValue(settings['opt']['loss function c'])
parent.bayes_dist_type_box.setCurrentIndex(parent.bayes_dist_type_box.findText(settings['opt']['Bayesian distribution type']))
parent.bayes_unc_sigma_box.setValue(settings['opt']['Bayesian uncertainty sigma'])
parent.multiprocessing_box.setChecked(settings['opt']['multiprocessing'])

# Update Global and Local Settings
Expand Down Expand Up @@ -299,11 +305,14 @@ def save(self, save_all=False):

## Set Optimization Settings ##
settings['opt']['time uncertainty'] = parent.time_unc_box.value()
settings['opt']['loss function scale'] = parent.resid_scale_box.currentText()
settings['opt']['objective function type'] = parent.obj_fcn_type_box.currentText()
settings['opt']['objective function scale'] = parent.obj_fcn_scale_box.currentText()
settings['opt']['loss function alpha'] = parent.loss_alpha_box.value()
settings['opt']['loss function c'] = parent.loss_c_box.value()
settings['opt']['Bayesian distribution type'] = parent.bayes_dist_type_box.currentText()
settings['opt']['Bayesian uncertainty sigma'] = parent.bayes_unc_sigma_box.value()
settings['opt']['multiprocessing'] = parent.multiprocessing_box.isChecked()

# Update Global and Local Settings
for opt_type in ['global', 'local']:
if opt_type == 'global':
Expand Down
99 changes: 99 additions & 0 deletions src/optimize/CheKiPEUQ_local/CombinationGeneratorModule.py
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Original file line number Diff line number Diff line change
@@ -0,0 +1,99 @@
import math
import itertools
import numpy
import copy

def RestrictionsPassed(CombinationToCheck,):
FailedStatus = 0 # This means it has not yet failed. If any of the checks fail, then we change this to 1.
# Note: the easy way to relate parameters to k is the following: take the k number and multiply it by 2. That's the parameter for Ea. Subtract 1 and that's the parameter for the pre-exponential.
# Then subract 1 from each of those to convert it to arrays!
# if (CombinationToCheck[3-1])*math.exp(-CombinationToCheck[4-1]/(R*T)) < (CombinationToCheck[5-1])*math.exp(-CombinationToCheck[6-1]/(R*T)): FailedStatus=1 #require k2 > k3, so fails if k2 < k3
# if (CombinationToCheck[3-1])*math.exp(-CombinationToCheck[4-1]/(R*T)) < (CombinationToCheck[7-1])*math.exp(-CombinationToCheck[8-1]/(R*T)): FailedStatus=2 #fail if k2 < k4
# if (CombinationToCheck[3-1])*math.exp(-CombinationToCheck[4-1]/(R*T)) < (CombinationToCheck[9-1])*math.exp(-CombinationToCheck[10-1]/(R*T)): FailedStatus=3 #fail if k2 < k5
# if (CombinationToCheck[9-1])*math.exp(-CombinationToCheck[10-1]/(R*T)) < 100*(CombinationToCheck[11-1])*math.exp(-CombinationToCheck[12-1]/(R*T)): FailedStatus=4 #require k5 >> k6, so fails if k5 < 100 * k6
# if (CombinationToCheck[21-1])*math.exp(-CombinationToCheck[22-1]/(R*T)) < (CombinationToCheck[5-1])*math.exp(-CombinationToCheck[6-1]/(R*T)): FailedStatus=5 #fail if k11 < k3
# if (CombinationToCheck[21-1])*math.exp(-CombinationToCheck[22-1]/(R*T)) < (CombinationToCheck[7-1])*math.exp(-CombinationToCheck[8-1]/(R*T)): FailedStatus=6 #fail if k11 < k4
# if (CombinationToCheck[21-1])*math.exp(-CombinationToCheck[22-1]/(R*T)) < (CombinationToCheck[9-1])*math.exp(-CombinationToCheck[10-1]/(R*T)): FailedStatus=7 #fail if k11 < k5
# if (CombinationToCheck[21-1])*math.exp(-CombinationToCheck[22-1]/(R*T)) < (CombinationToCheck[11-1])*math.exp(-CombinationToCheck[12-1]/(R*T)): FailedStatus=8 #fail if k11 < k6
# if (CombinationToCheck[13-1])*math.exp(-CombinationToCheck[14-1]/(R*T)) < (CombinationToCheck[5-1])*math.exp(-CombinationToCheck[6-1]/(R*T)): FailedStatus=9 #fail if k7 < k3
# if (CombinationToCheck[13-1])*math.exp(-CombinationToCheck[14-1]/(R*T)) < (CombinationToCheck[7-1])*math.exp(-CombinationToCheck[8-1]/(R*T)): FailedStatus=10 #fail if k7 < k4
# if (CombinationToCheck[13-1])*math.exp(-CombinationToCheck[14-1]/(R*T)) > (CombinationToCheck[15-1])*math.exp(-CombinationToCheck[16-1]/(R*T)): FailedStatus=11 #fail if k7 > k8
# if (CombinationToCheck[13-1])*math.exp(-CombinationToCheck[14-1]/(R*T)) > (CombinationToCheck[17-1])*math.exp(-CombinationToCheck[18-1]/(R*T)): FailedStatus=12 #fail if k7 > k9
# if (CombinationToCheck[13-1])*math.exp(-CombinationToCheck[14-1]/(R*T)) > (CombinationToCheck[19-1])*math.exp(-CombinationToCheck[20-1]/(R*T)): FailedStatus=13 #fail if k7 > k10
# if (CombinationToCheck[17-1])*math.exp(-CombinationToCheck[18-1]/(R*T)) < (CombinationToCheck[15-1])*math.exp(-CombinationToCheck[16-1]/(R*T)): FailedStatus=14 #fail if k9 < k8
# if (CombinationToCheck[19-1])*math.exp(CombinationToCheck[20-1]/(R*T)) < (CombinationToCheck[17-1])*math.exp(-CombinationToCheck[18-1]/(R*T)): FailedStatus=15 #fail if k10 < k9

# THE FOLLOWING LINES ARE FOR DEBUGGING ETC
# print str(CombinationToCheck[9-1]) + ' ' + str(math.exp(-CombinationToCheck[10-1]/(R*T))) + ' ' + str(CombinationToCheck[11-1]) + ' ' + str(math.exp(-CombinationToCheck[12-1]/(R*T)))
# print str(CombinationToCheck[9-1]*math.exp(-CombinationToCheck[10-1]/(R*T))) + ' ' + str(CombinationToCheck[11-1]*math.exp(-CombinationToCheck[12-1]/(R*T)))
# if CombinationToCheck[9-1]*math.exp(-CombinationToCheck[10-1]/(R*T)) < 100*CombinationToCheck[11-1]*math.exp(-CombinationToCheck[12-1]/(R*T)):
# print "true that it failed"
# if CombinationToCheck[9-1]*math.exp(-CombinationToCheck[10-1]/(R*T)) > 100*CombinationToCheck[11-1]*math.exp(-CombinationToCheck[12-1]/(R*T)):
# print "false that it failed"
if FailedStatus == 0:
PassedStatus = 1
else:
PassedStatus = 0
return PassedStatus


def combinationGenerator(OriginalParameters, BaseFactor, NumberOfVariationsInEachDirection,SpreadType="Addition", toFile = False, fileName = "output", headerList = "", numberOfTimesToWriteToFile = 1): #SpreadType can be "Addition" or "Multiplication"
SpreadType.upper() #makes userinput uppercase for error protection
CombinationsSoFar = [OriginalParameters]

for ParameterP in range(len(OriginalParameters)): # I am Using array indexing, so if the length returned is "21" that means it will iterate across 22 values since 0 and 21 are both values in loop.
# Note that we are using "ParameterP" to represent the index of the parameter. We'll use this index to extract parameter values and base multipliers etc..
# Now that we are looping across each parameter, we will iterate across all CombinationsSoFar, then do the base multiplication on each Combination.
for CurrentBaseCombinationIndex in range(len(CombinationsSoFar)): # we can't use "for CurrentBaseCombination in CombinationsSoFar" because that would create an infinite loop due to append.
# Instead, we use the length and array indexing for the loop, since the length will not be recalculated after the first time.
CurrentBaseCombination = CombinationsSoFar[CurrentBaseCombinationIndex]
# Now, for each BaseCombination, we need to do the multiplying in each direction for our current ParameterP index.
if NumberOfVariationsInEachDirection[ParameterP] > 0: # We're only going to do this for cases where Variations in each direction is non-zero.
for i in range(1, NumberOfVariationsInEachDirection[ParameterP] + 1): # If number of vars is 2 for example, then it'll go "1,2" on the i index.
# Now for each variation index, we need to make the high and the low.
# for the low case, it actually requires 2 steps: initialization and then changing the parameter currently being changed.
NewCombinationLow = list(copy.copy(CurrentBaseCombination))
if SpreadType == "Multiplication":
NewCombinationLow[ParameterP] = CurrentBaseCombination[ParameterP] / (BaseFactor[ParameterP] ** i)
elif SpreadType == "Addition":
NewCombinationLow[ParameterP] = CurrentBaseCombination[ParameterP] - (BaseFactor[ParameterP] * i)
RestrictionsPassedLow = RestrictionsPassed(NewCombinationLow)
if RestrictionsPassedLow == 1:
CombinationsSoFar.append(tuple(NewCombinationLow))
#print(CombinationsSoFar)
elif RestrictionsPassedLow == 0:
CombinationsSoFar.append(tuple(CurrentBaseCombination))
# Now for high combinations...
NewCombinationHigh = list(copy.copy(CurrentBaseCombination))
if SpreadType == "Multiplication":
NewCombinationHigh[ParameterP] = CurrentBaseCombination[ParameterP] * (BaseFactor[ParameterP] ** i)
if SpreadType == "Addition":
NewCombinationHigh[ParameterP] = CurrentBaseCombination[ParameterP] + (BaseFactor[ParameterP] * i)
RestrictionsPassedHigh = RestrictionsPassed(NewCombinationHigh)
if RestrictionsPassedHigh == 1:
CombinationsSoFar.append(tuple(NewCombinationHigh))
if RestrictionsPassedHigh == 0:
CombinationsSoFar.append(tuple(CurrentBaseCombination))

if toFile == True:
writeToFile(CombinationsSoFar,headerList, fileName, numberOfTimesToWriteToFile)

return CombinationsSoFar

def writeToFile(comboGeneratedList, headerList, filename, numberOfTimesToWriteOutput = 1):
filename+=".csv"
ListToPrint = [headerList]*1
ListToPrint.extend(comboGeneratedList)

#print ListToPrint
f1 = open(filename, 'w')
for line in ListToPrint:
for b in range(1,numberOfTimesToWriteOutput + 1): # b is an arbitrary counter. we use +1 b/c upper end of range is omitted.
f1.write(str(line)[1:-1] + '\n')
f1.close()

if __name__ == '__main__':
headerList = ["Header1", "Header2", "Header3", "Header4"] #array must be seperated by commas to be split into a list
print (combinationGenerator([0,0], [1,1], [10,10], SpreadType="Addition",toFile=True,headerList=headerList)) #a list using these parameters is created and returned to comboList


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