Developing a model to predict permeability (see Sect. 1.4) could save significant resources for a pharmaceutical company, while at the same time more rapidly identifying molecules that have a sufficient permeability to become a drug:
library(AppliedPredictiveModeling)
data(permeability)
The matrix fingerprints contains the 1,107 binary molecular predictors for the 165 compounds, while permeability contains permeability response.
388
cols <- nearZeroVar(fingerprints)
df <- fingerprints[,-cols]
dim(df)
## [1] 165 388
The \(R^2\) for the final pls model is 0.50305056.
set.seed(123)
trans_df <- preProcess(df,
method = c('center', 'scale'))
df <- predict(trans_df, df)
trans_y <- preProcess(permeability,
method = c('center', 'scale'))
y <- predict(trans_y, permeability)
sample <- sample.split(permeability, SplitRatio = 0.75)
X_train = subset(df, sample == TRUE)
X_test = subset(df, sample == FALSE)
X_train_index <- rownames(X_train)
X_test_index <- rownames(X_test)
y_train <- permeability[X_train_index,]
y_test <- permeability[X_test_index,]
plsFit <- train(X_train, y_train,
method = 'pls',
tuneLength = 100
)
plot(plsFit)
plsFit
## Partial Least Squares
##
## 123 samples
## 388 predictors
##
## No pre-processing
## Resampling: Bootstrapped (25 reps)
## Summary of sample sizes: 123, 123, 123, 123, 123, 123, ...
## Resampling results across tuning parameters:
##
## ncomp RMSE Rsquared MAE
## 1 1.313590e+01 0.36409838 1.006912e+01
## 2 1.173318e+01 0.50305056 8.398168e+00
## 3 1.194183e+01 0.48457002 8.728066e+00
## 4 1.217053e+01 0.46531297 8.920300e+00
## 5 1.243519e+01 0.45182440 8.929871e+00
## 6 1.237136e+01 0.45594086 8.840693e+00
## 7 1.246311e+01 0.46024685 9.026476e+00
## 8 1.282372e+01 0.44526619 9.312521e+00
## 9 1.310751e+01 0.43120312 9.560647e+00
## 10 1.335129e+01 0.41995783 9.715772e+00
## 11 1.368865e+01 0.40562060 9.923026e+00
## 12 1.407642e+01 0.38586158 1.025378e+01
## 13 1.435950e+01 0.37261737 1.055176e+01
## 14 1.470524e+01 0.35418291 1.078616e+01
## 15 1.503831e+01 0.34154290 1.105538e+01
## 16 1.528744e+01 0.33179002 1.126493e+01
## 17 1.553257e+01 0.32445728 1.143651e+01
## 18 1.577033e+01 0.31601880 1.156091e+01
## 19 1.599650e+01 0.31005449 1.173316e+01
## 20 1.615790e+01 0.30707751 1.182389e+01
## 21 1.636741e+01 0.30053714 1.200249e+01
## 22 1.658494e+01 0.29453872 1.217463e+01
## 23 1.681194e+01 0.28916213 1.233477e+01
## 24 1.692943e+01 0.28652774 1.243593e+01
## 25 1.706439e+01 0.28281570 1.253751e+01
## 26 1.726310e+01 0.27678995 1.266198e+01
## 27 1.752742e+01 0.26802635 1.283991e+01
## 28 1.781676e+01 0.25992994 1.305552e+01
## 29 1.804387e+01 0.25407343 1.321147e+01
## 30 1.825607e+01 0.24821647 1.332373e+01
## 31 1.851019e+01 0.24249662 1.348190e+01
## 32 1.874355e+01 0.23802838 1.363168e+01
## 33 1.893384e+01 0.23459153 1.374585e+01
## 34 1.915217e+01 0.23029121 1.387028e+01
## 35 1.934845e+01 0.22587445 1.399724e+01
## 36 1.956014e+01 0.22186706 1.412503e+01
## 37 1.978251e+01 0.21730447 1.427350e+01
## 38 1.995825e+01 0.21325620 1.440217e+01
## 39 2.014389e+01 0.20940444 1.455477e+01
## 40 2.032538e+01 0.20612752 1.469726e+01
## 41 2.050260e+01 0.20329025 1.483522e+01
## 42 2.065974e+01 0.20115317 1.495327e+01
## 43 2.081970e+01 0.19860201 1.508617e+01
## 44 2.096592e+01 0.19613117 1.521269e+01
## 45 2.112725e+01 0.19382543 1.535017e+01
## 46 2.128709e+01 0.19169910 1.548573e+01
## 47 2.141461e+01 0.19019734 1.559209e+01
## 48 2.155552e+01 0.18857613 1.569913e+01
## 49 2.168345e+01 0.18779101 1.578440e+01
## 50 2.177523e+01 0.18712398 1.585672e+01
## 51 2.186003e+01 0.18624738 1.592510e+01
## 52 2.194594e+01 0.18556325 1.599479e+01
## 53 2.198671e+01 0.18520828 1.603381e+01
## 54 2.203954e+01 0.18436725 1.608941e+01
## 55 2.207053e+01 0.18387551 1.612456e+01
## 56 2.208968e+01 0.18369151 1.615423e+01
## 57 2.210630e+01 0.18338555 1.617514e+01
## 58 2.211886e+01 0.18304811 1.618968e+01
## 59 2.213350e+01 0.18255043 1.620946e+01
## 60 2.215297e+01 0.18197509 1.623079e+01
## 61 2.215828e+01 0.18179188 1.623516e+01
## 62 2.216464e+01 0.18159352 1.623797e+01
## 63 2.217464e+01 0.18126071 1.624647e+01
## 64 8.554129e+13 0.18262063 7.746166e+13
## 65 2.504005e+14 0.19424610 2.162647e+14
## 66 3.875450e+14 0.19823550 3.246961e+14
## 67 6.389449e+14 0.16577507 5.174777e+14
## 68 9.567928e+14 0.14623379 7.827708e+14
## 69 1.158929e+15 0.13666788 9.378908e+14
## 70 1.577296e+15 0.11921725 1.282490e+15
## 71 2.149375e+15 0.13782624 1.749616e+15
## 72 2.912614e+15 0.09959086 2.366944e+15
## 73 3.473111e+15 0.09585562 2.814467e+15
## 74 3.982906e+15 0.10803859 3.225095e+15
## 75 4.394517e+15 0.08503956 3.529501e+15
## 76 4.794231e+15 0.08055185 3.836159e+15
## 77 5.158014e+15 0.06588207 4.115213e+15
## 78 5.374079e+15 0.06844971 4.277338e+15
## 79 5.616175e+15 0.06253568 4.464704e+15
## 80 5.787938e+15 0.06342043 4.601607e+15
## 81 5.935658e+15 0.06546371 4.727325e+15
## 82 6.051815e+15 0.06578910 4.821721e+15
## 83 6.142418e+15 0.06783727 4.902926e+15
## 84 6.217174e+15 0.06768689 4.976541e+15
## 85 6.290093e+15 0.06845176 5.049149e+15
## 86 6.350006e+15 0.06850626 5.105401e+15
## 87 6.380118e+15 0.06929160 5.127040e+15
## 88 6.420616e+15 0.07043612 5.158596e+15
## 89 6.464087e+15 0.07060683 5.193817e+15
## 90 6.496616e+15 0.07049115 5.220262e+15
## 91 6.524400e+15 0.07051256 5.240007e+15
## 92 6.548530e+15 0.07099699 5.259174e+15
## 93 6.569980e+15 0.07097704 5.277930e+15
## 94 6.587641e+15 0.07138296 5.291235e+15
## 95 6.597902e+15 0.07168690 5.295818e+15
## 96 6.605882e+15 0.07191296 5.301831e+15
## 97 6.622695e+15 0.07206884 5.315484e+15
## 98 6.634395e+15 0.07191186 5.323387e+15
## 99 6.643287e+15 0.07196737 5.329066e+15
## 100 6.655584e+15 0.07182964 5.338716e+15
##
## RMSE was used to select the optimal model using the smallest value.
## The final value used for the model was ncomp = 2.
lmPred1 <- predict(plsFit, X_test)
lmValues1 <- data.frame(obs = y_test, pred = lmPred1)
defaultSummary(lmValues1)
## RMSE Rsquared MAE
## 13.4624011 0.1352939 9.2452204
Yes, the Elastic Net model performed better in predicting the values of the test data set.
enetGrid <- expand.grid(.lambda = c(0,0.01,0.1),
.fraction = seq(0.05,1,length = 20))
set.seed(213)
enetTune <- train(X_train, y_train,
method = 'enet',
tuneGrid = enetGrid
)
## Warning: model fit failed for Resample15: lambda=0.00, fraction=1 Error in if (zmin < gamhat) { : missing value where TRUE/FALSE needed
## Warning: model fit failed for Resample17: lambda=0.00, fraction=1 Error in if (zmin < gamhat) { : missing value where TRUE/FALSE needed
## Warning in nominalTrainWorkflow(x = x, y = y, wts = weights, info = trainInfo, :
## There were missing values in resampled performance measures.
lmPred2 <- predict(enetTune, X_test)
lmValues2 <- data.frame(obs = y_test, pred = lmPred2)
defaultSummary(lmValues2)
## RMSE Rsquared MAE
## 12.6824502 0.2074689 9.1989245
No, as the \(R^2\) values do not give me confidence in the models as they are relatively low.
A chemical manufacturing process for a pharmaceutical product was discussed in Sect. 1.4. In this problem, the objective is to understand the relationship between biological measurements of the raw materials (predictors), measurements of the manufacturing process (predictors), and the response of product yield. Biological predictors cannot be changed but can be used to assess the quality of the raw material before processing. On the other hand, manufacturing process predictors can be changed in the manufacturing process. Improving product yield by 1 % will boost revenue by approximately one hundred thousand dollars per batch:
The matrix processPredictors contains the 57 predictors (12 describing the input biological material and 45 describing the process predictors) for the 176 manufacturing runs. yield contains the percent yield for each run.
library(AppliedPredictiveModeling)
data(ChemicalManufacturingProcess)
The matrix processPredictors contains the 57 predictors (12 describing the input biological material and 45 describing the process predictors) for the 176 manufacturing runs. yield contains the percent yield for each run.
df <- ChemicalManufacturingProcess
init <- mice(df, maxit = 0)
predM <- init$predictorMatrix
set.seed(123)
imputed <- mice(df, method = 'pmm', predictorMatrix = predM, m=5)
##
## iter imp variable
## 1 1 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## 1 2 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## 1 3 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## 1 4 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## 1 5 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## 2 1 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## 2 2 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## 2 3 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## 2 4 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## 2 5 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## 3 1 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## 3 2 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## 3 3 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## 3 4 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## 3 5 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## 4 1 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## 4 2 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## 4 3 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## 4 4 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## 4 5 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## 5 1 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## 5 2 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## 5 3 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## 5 4 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## 5 5 ManufacturingProcess01 ManufacturingProcess02 ManufacturingProcess03 ManufacturingProcess04 ManufacturingProcess05 ManufacturingProcess06 ManufacturingProcess07 ManufacturingProcess08 ManufacturingProcess10 ManufacturingProcess11 ManufacturingProcess12 ManufacturingProcess14 ManufacturingProcess22 ManufacturingProcess23 ManufacturingProcess24 ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27 ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30 ManufacturingProcess31 ManufacturingProcess33 ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36 ManufacturingProcess40 ManufacturingProcess41
## Warning: Number of logged events: 675
df <- complete(imputed)
The best \(R^2\) is 0.58531241.
set.seed(123)
trans_df <- preProcess(df,
method = c('center', 'scale'))
df <- predict(trans_df, df)
sample <- sample.split(permeability, SplitRatio = 0.75)
X_train = subset(df[,-1], sample == TRUE)
X_test = subset(df[,-1], sample == FALSE)
y_train <- subset(df[,1], sample == TRUE)
y_test <- subset(df[,1], sample == FALSE)
enetGrid <- expand.grid(.lambda = c(0,0.01,0.1),
.fraction = seq(0.05,1,length = 20))
set.seed(213)
enetTune <- train(X_train, y_train,
method = 'enet',
tuneGrid = enetGrid
)
enetTune
## Elasticnet
##
## 129 samples
## 57 predictor
##
## No pre-processing
## Resampling: Bootstrapped (25 reps)
## Summary of sample sizes: 129, 129, 129, 129, 129, 129, ...
## Resampling results across tuning parameters:
##
## lambda fraction RMSE Rsquared MAE
## 0.00 0.05 0.7810010 0.54710645 0.5752237
## 0.00 0.10 1.3578080 0.40427685 0.7327417
## 0.00 0.15 2.0694521 0.25093335 0.9056652
## 0.00 0.20 3.0579901 0.19694168 1.0956867
## 0.00 0.25 4.0809993 0.19555161 1.2683064
## 0.00 0.30 4.8927481 0.16779716 1.4207473
## 0.00 0.35 5.5310850 0.15066411 1.5453253
## 0.00 0.40 6.1364148 0.14042165 1.6634307
## 0.00 0.45 6.6544009 0.13099299 1.7660395
## 0.00 0.50 7.2317858 0.11978230 1.8767047
## 0.00 0.55 7.8510568 0.10959763 1.9977230
## 0.00 0.60 8.4611408 0.10240610 2.1128457
## 0.00 0.65 9.0579877 0.09722493 2.2236752
## 0.00 0.70 9.6143318 0.09304017 2.3254877
## 0.00 0.75 10.0745478 0.09073589 2.4034776
## 0.00 0.80 10.6036195 0.08534627 2.5024168
## 0.00 0.85 11.0566284 0.08221739 2.5838399
## 0.00 0.90 11.4339028 0.08211518 2.6506668
## 0.00 0.95 11.8057211 0.08187302 2.7040654
## 0.00 1.00 13.1002918 0.08082209 3.0670428
## 0.01 0.05 0.8325309 0.54972380 0.6732730
## 0.01 0.10 0.6959368 0.58878778 0.5661530
## 0.01 0.15 0.7389313 0.55264342 0.5593615
## 0.01 0.20 0.8487948 0.52459514 0.5846137
## 0.01 0.25 0.9927142 0.49952535 0.6187012
## 0.01 0.30 1.0701907 0.48304992 0.6438785
## 0.01 0.35 1.1121392 0.47503876 0.6651518
## 0.01 0.40 1.2487634 0.42903429 0.7084844
## 0.01 0.45 1.3943440 0.37725511 0.7474780
## 0.01 0.50 1.5775016 0.33769121 0.7888187
## 0.01 0.55 1.7638681 0.31046026 0.8297334
## 0.01 0.60 1.9187754 0.29625262 0.8653719
## 0.01 0.65 2.0834701 0.28096145 0.9030376
## 0.01 0.70 2.2750366 0.26451929 0.9438013
## 0.01 0.75 2.4723719 0.24909575 0.9855935
## 0.01 0.80 2.6657435 0.23606456 1.0260324
## 0.01 0.85 2.8491745 0.22589411 1.0638334
## 0.01 0.90 3.0201706 0.21555797 1.0999810
## 0.01 0.95 3.1953434 0.20703660 1.1348877
## 0.01 1.00 3.4924133 0.19888128 1.2273312
## 0.10 0.05 0.9394560 0.45794000 0.7563213
## 0.10 0.10 0.8312344 0.54631818 0.6718078
## 0.10 0.15 0.7454870 0.57698107 0.6061753
## 0.10 0.20 0.7007613 0.57913141 0.5667529
## 0.10 0.25 0.7217963 0.55639808 0.5592711
## 0.10 0.30 0.7727984 0.53675088 0.5689293
## 0.10 0.35 0.8210404 0.52413217 0.5815406
## 0.10 0.40 0.8684196 0.51147623 0.5949384
## 0.10 0.45 0.9167136 0.50047047 0.6059057
## 0.10 0.50 0.9799265 0.48885152 0.6229860
## 0.10 0.55 1.0432902 0.48134810 0.6413850
## 0.10 0.60 1.1140418 0.46899146 0.6636201
## 0.10 0.65 1.1848469 0.45391462 0.6875422
## 0.10 0.70 1.2699036 0.42948444 0.7144903
## 0.10 0.75 1.3590846 0.40300871 0.7397648
## 0.10 0.80 1.4455196 0.38153052 0.7628644
## 0.10 0.85 1.5300541 0.36403750 0.7864869
## 0.10 0.90 1.6192415 0.34641031 0.8092277
## 0.10 0.95 1.7021965 0.33049424 0.8296414
## 0.10 1.00 1.8118374 0.30719740 0.8655794
##
## RMSE was used to select the optimal model using the smallest value.
## The final values used for the model were fraction = 0.1 and lambda = 0.01.
The performance metrics are slightly lower on the test set.
lmPred3 <- predict(enetTune, X_test)
lmValues3 <- data.frame(obs = y_test, pred = lmPred3)
defaultSummary(lmValues3)
## RMSE Rsquared MAE
## 0.5726634 0.5154140 0.4802119
The process predictors dominate the list. The coefficients to the biological predictors are mostly set to 0. Based on the coefficients, ManufacturingProcess32 has the greatest impact on the target value.
predict(enetTune$finalModel, type = 'coefficients')
## $s
## [1] 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25
## [26] 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50
## [51] 51 52 53 54 55 56 57 58 59 60 61 62
##
## $fraction
## [1] 0.00000000 0.01639344 0.03278689 0.04918033 0.06557377 0.08196721
## [7] 0.09836066 0.11475410 0.13114754 0.14754098 0.16393443 0.18032787
## [13] 0.19672131 0.21311475 0.22950820 0.24590164 0.26229508 0.27868852
## [19] 0.29508197 0.31147541 0.32786885 0.34426230 0.36065574 0.37704918
## [25] 0.39344262 0.40983607 0.42622951 0.44262295 0.45901639 0.47540984
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## [55] 0.88524590 0.90163934 0.91803279 0.93442623 0.95081967 0.96721311
## [61] 0.98360656 1.00000000
##
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## [1] "step"
##
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## ManufacturingProcess16 ManufacturingProcess17 ManufacturingProcess18
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## 60 0.010164503 -0.075517949 -0.023529951
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## ManufacturingProcess25 ManufacturingProcess26 ManufacturingProcess27
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## ManufacturingProcess28 ManufacturingProcess29 ManufacturingProcess30
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## 46 -0.136664129 0.054876203 0.000000000
## 47 -0.137617137 0.062966997 0.000000000
## 48 -0.139658545 0.079510277 -0.005439257
## 49 -0.142439498 0.102588724 -0.013008119
## 50 -0.147392904 0.144539653 -0.026329805
## 51 -0.152444548 0.185794638 -0.040299072
## 52 -0.153233909 0.192231266 -0.042482119
## 53 -0.155262396 0.210184426 -0.048704758
## 54 -0.156083274 0.220890231 -0.051510498
## 55 -0.158092579 0.251752499 -0.058993498
## 56 -0.158793166 0.264291276 -0.062665677
## 57 -0.162589553 0.308203446 -0.078588515
## 58 -0.164311829 0.323504012 -0.085924990
## 59 -0.164618895 0.326380534 -0.087327910
## 60 -0.165971503 0.339199182 -0.093549723
## 61 -0.166460762 0.342350789 -0.096156222
## ManufacturingProcess31 ManufacturingProcess32 ManufacturingProcess33
## 0 0.000000000 0.0000000 0.00000000
## 1 0.000000000 0.1032762 0.00000000
## 2 0.000000000 0.1045459 0.00000000
## 3 0.000000000 0.3383201 0.00000000
## 4 0.000000000 0.4229511 0.00000000
## 5 0.000000000 0.4286349 0.00000000
## 6 0.000000000 0.4608633 0.00000000
## 7 0.000000000 0.4610387 0.00000000
## 8 0.000000000 0.4703830 0.00000000
## 9 0.000000000 0.4716694 0.00000000
## 10 0.000000000 0.4704328 0.00000000
## 11 0.000000000 0.4705553 0.00000000
## 12 0.000000000 0.4699150 0.00000000
## 13 0.000000000 0.4731663 0.00000000
## 14 0.000000000 0.4738086 0.00000000
## 15 0.000000000 0.4784983 0.00000000
## 16 0.000000000 0.4859696 0.00000000
## 17 0.000000000 0.4981323 0.00000000
## 18 0.000000000 0.5128746 0.00000000
## 19 0.000000000 0.5155854 0.00000000
## 20 0.000000000 0.5161496 0.00000000
## 21 0.000000000 0.5172564 0.00000000
## 22 0.000000000 0.5188389 0.00000000
## 23 0.000000000 0.5213226 0.00000000
## 24 0.000000000 0.5214428 0.00000000
## 25 0.000000000 0.5208403 0.00000000
## 26 0.000000000 0.5203969 0.00000000
## 27 0.000000000 0.5203832 0.00000000
## 28 0.000000000 0.5623446 -0.05270698
## 29 0.000000000 0.5924623 -0.09056973
## 30 0.000000000 0.6175904 -0.12138679
## 31 0.000000000 0.6419756 -0.14982452
## 32 0.000000000 0.6672442 -0.17761838
## 33 0.000000000 0.7157417 -0.23029562
## 34 0.000000000 0.7188710 -0.23373471
## 35 0.000000000 0.7223170 -0.23751002
## 36 0.000000000 0.7241455 -0.23938589
## 37 0.000000000 0.7323752 -0.24808206
## 38 0.000000000 0.7326921 -0.24841472
## 39 0.000000000 0.7355608 -0.25154911
## 40 0.000000000 0.7473520 -0.26476694
## 41 0.000000000 0.7593992 -0.27947184
## 42 0.000000000 0.7693534 -0.29124563
## 43 0.000000000 0.7763961 -0.29977402
## 44 0.000000000 0.7815602 -0.30737429
## 45 0.000000000 0.7841635 -0.31181106
## 46 0.000000000 0.7852606 -0.31371516
## 47 0.000000000 0.7863841 -0.31560461
## 48 0.000000000 0.7877462 -0.31900257
## 49 0.000000000 0.7899396 -0.32386640
## 50 0.000000000 0.7939383 -0.33261286
## 51 0.000000000 0.8034056 -0.33930657
## 52 0.000000000 0.8048623 -0.34034039
## 53 0.000000000 0.8086230 -0.34308520
## 54 0.000000000 0.8106669 -0.34476450
## 55 0.000000000 0.8171735 -0.35081200
## 56 0.000000000 0.8199164 -0.35325962
## 57 0.000000000 0.8285340 -0.36195770
## 58 0.009388104 0.8310798 -0.36501574
## 59 0.011130817 0.8315535 -0.36554898
## 60 0.019442165 0.8339954 -0.36813169
## 61 0.021650893 0.8348797 -0.36908954
## ManufacturingProcess34 ManufacturingProcess35 ManufacturingProcess36
## 0 0.00000000 0.000000000 0.000000e+00
## 1 0.00000000 0.000000000 0.000000e+00
## 2 0.00000000 0.000000000 0.000000e+00
## 3 0.00000000 0.000000000 0.000000e+00
## 4 0.00000000 0.000000000 0.000000e+00
## 5 0.00000000 0.000000000 0.000000e+00
## 6 0.00000000 0.000000000 0.000000e+00
## 7 0.00000000 0.000000000 -2.051102e-04
## 8 0.03620678 0.000000000 -1.395482e-02
## 9 0.04050175 0.000000000 -1.660024e-02
## 10 0.04943708 0.000000000 -2.480408e-02
## 11 0.04982281 0.000000000 -2.518600e-02
## 12 0.06369750 0.000000000 -3.609182e-02
## 13 0.06928638 0.000000000 -3.834301e-02
## 14 0.07093207 0.000000000 -3.916016e-02
## 15 0.07756376 0.000000000 -3.846209e-02
## 16 0.08228665 -0.005624597 -3.163587e-02
## 17 0.09049207 -0.015962613 -1.910641e-02
## 18 0.10122011 -0.028138784 -3.850498e-03
## 19 0.10279974 -0.030534182 -5.944368e-04
## 20 0.10326406 -0.030883919 7.579861e-20
## 21 0.10649507 -0.031129658 0.000000e+00
## 22 0.10997483 -0.032525975 0.000000e+00
## 23 0.11400016 -0.034094519 0.000000e+00
## 24 0.11438970 -0.034170720 0.000000e+00
## 25 0.12693047 -0.037358212 0.000000e+00
## 26 0.13069097 -0.036070942 0.000000e+00
## 27 0.13080378 -0.036034827 0.000000e+00
## 28 0.11703798 -0.035434494 0.000000e+00
## 29 0.10697760 -0.035371165 0.000000e+00
## 30 0.09871906 -0.035232291 0.000000e+00
## 31 0.09110641 -0.034709461 0.000000e+00
## 32 0.08388654 -0.033255867 0.000000e+00
## 33 0.07067252 -0.030222611 0.000000e+00
## 34 0.06988241 -0.030036207 0.000000e+00
## 35 0.06898895 -0.029840985 0.000000e+00
## 36 0.06846742 -0.029766526 0.000000e+00
## 37 0.06643755 -0.029259779 0.000000e+00
## 38 0.06634405 -0.029239027 0.000000e+00
## 39 0.06540310 -0.029104547 0.000000e+00
## 40 0.06173600 -0.027865198 0.000000e+00
## 41 0.05813195 -0.026765573 0.000000e+00
## 42 0.05474086 -0.025468053 0.000000e+00
## 43 0.05213162 -0.023484636 0.000000e+00
## 44 0.05008543 -0.021075668 0.000000e+00
## 45 0.04896585 -0.019617785 0.000000e+00
## 46 0.04844085 -0.019105096 0.000000e+00
## 47 0.04789682 -0.018640471 0.000000e+00
## 48 0.04712882 -0.017841136 0.000000e+00
## 49 0.04598803 -0.016622202 0.000000e+00
## 50 0.04390567 -0.014243392 0.000000e+00
## 51 0.04313577 -0.018015782 1.095808e-02
## 52 0.04302869 -0.018620281 1.267391e-02
## 53 0.04277246 -0.020087049 1.767806e-02
## 54 0.04280599 -0.020997224 2.050507e-02
## 55 0.04265740 -0.022997770 2.865341e-02
## 56 0.04237261 -0.023589795 3.199293e-02
## 57 0.04082192 -0.025061449 4.217345e-02
## 58 0.04033994 -0.025631487 4.539945e-02
## 59 0.04024978 -0.025748996 4.601642e-02
## 60 0.03962643 -0.025970197 4.863123e-02
## 61 0.03937040 -0.026065692 4.950671e-02
## ManufacturingProcess37 ManufacturingProcess38 ManufacturingProcess39
## 0 0.00000000 0.000000000 0.000000000
## 1 0.00000000 0.000000000 0.000000000
## 2 0.00000000 0.000000000 0.000000000
## 3 0.00000000 0.000000000 0.000000000
## 4 0.00000000 0.000000000 0.000000000
## 5 0.00000000 0.000000000 0.000000000
## 6 0.00000000 0.000000000 0.000000000
## 7 0.00000000 0.000000000 0.000000000
## 8 0.00000000 0.000000000 0.000000000
## 9 0.00000000 0.000000000 0.000000000
## 10 -0.00948254 0.000000000 0.000000000
## 11 -0.01000123 0.000000000 0.000000000
## 12 -0.02503073 0.000000000 0.000000000
## 13 -0.02940386 0.000000000 0.000000000
## 14 -0.03059959 0.000000000 0.000000000
## 15 -0.03821597 0.000000000 0.000000000
## 16 -0.04335299 0.000000000 0.000000000
## 17 -0.05252375 0.000000000 0.000000000
## 18 -0.06410804 0.000000000 0.000000000
## 19 -0.06696881 0.000000000 0.000000000
## 20 -0.06756435 0.000000000 0.000000000
## 21 -0.07185978 0.000000000 0.000000000
## 22 -0.07655617 0.000000000 0.000000000
## 23 -0.08188844 0.000000000 0.008438320
## 24 -0.08236873 0.000000000 0.009146562
## 25 -0.09513992 0.000000000 0.030602450
## 26 -0.09882687 -0.005964857 0.037291899
## 27 -0.09889305 -0.006125272 0.037417732
## 28 -0.10519395 -0.015947285 0.049109902
## 29 -0.10972156 -0.022799473 0.057265960
## 30 -0.11369117 -0.028326411 0.064083800
## 31 -0.11715461 -0.033701770 0.069699514
## 32 -0.12060313 -0.040700297 0.076087283
## 33 -0.12667627 -0.053082713 0.089929489
## 34 -0.12704949 -0.053788404 0.090893253
## 35 -0.12747923 -0.054600204 0.091953502
## 36 -0.12766192 -0.055034891 0.092437827
## 37 -0.12850270 -0.057518308 0.095477923
## 38 -0.12852202 -0.057620891 0.095590796
## 39 -0.12874131 -0.058499391 0.096370730
## 40 -0.12957801 -0.063210760 0.099618486
## 41 -0.13022953 -0.067502206 0.103513828
## 42 -0.13103483 -0.072575425 0.107478536
## 43 -0.13143609 -0.077267649 0.111121131
## 44 -0.13130363 -0.082083513 0.113678985
## 45 -0.13122183 -0.084858263 0.114694850
## 46 -0.13149554 -0.085857476 0.115892928
## 47 -0.13154210 -0.086890138 0.117110284
## 48 -0.13161709 -0.088727501 0.119274889
## 49 -0.13174197 -0.091348675 0.122604283
## 50 -0.13195359 -0.096158209 0.128654678
## 51 -0.13173170 -0.099740949 0.133081380
## 52 -0.13170816 -0.100289287 0.133755782
## 53 -0.13188274 -0.102212242 0.135500510
## 54 -0.13195730 -0.102922634 0.136373767
## 55 -0.13224107 -0.105247760 0.138437276
## 56 -0.13245764 -0.106474282 0.138831058
## 57 -0.13498266 -0.110884630 0.142251431
## 58 -0.13628415 -0.112569944 0.143745935
## 59 -0.13652567 -0.112874124 0.144040084
## 60 -0.13743163 -0.114426153 0.145713092
## 61 -0.13777249 -0.114926713 0.146230156
## ManufacturingProcess40 ManufacturingProcess41 ManufacturingProcess42
## 0 0.0000000000 0.00000000 0.00000000
## 1 0.0000000000 0.00000000 0.00000000
## 2 0.0000000000 0.00000000 0.00000000
## 3 0.0000000000 0.00000000 0.00000000
## 4 0.0000000000 0.00000000 0.00000000
## 5 0.0000000000 0.00000000 0.00000000
## 6 0.0000000000 0.00000000 0.00000000
## 7 0.0000000000 0.00000000 0.00000000
## 8 0.0000000000 0.00000000 0.00000000
## 9 0.0000000000 0.00000000 0.00000000
## 10 0.0000000000 0.00000000 0.00000000
## 11 0.0000000000 0.00000000 0.00000000
## 12 0.0000000000 0.00000000 0.00000000
## 13 0.0000000000 0.00000000 0.00000000
## 14 0.0000000000 0.00000000 0.00000000
## 15 0.0000000000 0.00000000 0.00000000
## 16 0.0000000000 0.00000000 0.00000000
## 17 0.0000000000 0.00000000 0.00000000
## 18 0.0000000000 0.00000000 0.00000000
## 19 0.0000000000 0.00000000 0.00000000
## 20 0.0005046218 0.00000000 0.00000000
## 21 0.0043388466 0.00000000 0.00000000
## 22 0.0083226149 0.00000000 0.00000000
## 23 0.0131207287 0.00000000 0.00000000
## 24 0.0135341213 0.00000000 0.00000000
## 25 0.0263274164 0.00000000 0.00000000
## 26 0.0300519385 0.00000000 0.00000000
## 27 0.0301173304 0.00000000 0.00000000
## 28 0.0328082576 0.00000000 0.00000000
## 29 0.0345724127 0.00000000 0.00000000
## 30 0.0359044873 0.00000000 0.00000000
## 31 0.0370290524 0.00000000 0.00000000
## 32 0.0379039245 0.00000000 0.00000000
## 33 0.0400845352 0.00000000 0.00000000
## 34 0.0402361940 0.00000000 0.00000000
## 35 0.0403980175 0.00000000 0.00000000
## 36 0.0404568785 0.00000000 0.00000000
## 37 0.0410275891 0.00000000 0.00000000
## 38 0.0410467091 0.00000000 0.00000000
## 39 0.0411299994 0.00000000 0.00000000
## 40 0.0417099671 0.00000000 0.00000000
## 41 0.0423605683 0.00000000 0.00000000
## 42 0.0527304905 -0.01101182 0.00000000
## 43 0.0634719985 -0.02197491 0.00000000
## 44 0.0724278082 -0.03055766 0.00000000
## 45 0.0770347615 -0.03494831 0.00000000
## 46 0.0788593029 -0.03676929 0.00000000
## 47 0.0807418958 -0.03863720 0.00000000
## 48 0.0843503894 -0.04197461 0.00000000
## 49 0.0892999107 -0.04646745 0.00000000
## 50 0.0984503626 -0.05466915 0.00000000
## 51 0.1075257818 -0.06315158 0.00000000
## 52 0.1089368790 -0.06447961 0.00000000
## 53 0.1129868191 -0.06838828 0.00000000
## 54 0.1152063465 -0.07034811 0.00000000
## 55 0.1213096327 -0.07591823 0.00000000
## 56 0.1236065360 -0.07791406 0.00392099
## 57 0.1300354574 -0.08327863 0.01633562
## 58 0.1326985077 -0.08594647 0.02004832
## 59 0.1332033299 -0.08646782 0.02075268
## 60 0.1355748870 -0.08877398 0.02346878
## 61 0.1363635200 -0.08955472 0.02447231
## ManufacturingProcess43 ManufacturingProcess44 ManufacturingProcess45
## 0 0.000000000 0.000000000 0.000000000
## 1 0.000000000 0.000000000 0.000000000
## 2 0.000000000 0.000000000 0.000000000
## 3 0.000000000 0.000000000 0.000000000
## 4 0.000000000 0.000000000 0.000000000
## 5 0.000000000 0.000000000 0.000000000
## 6 0.000000000 0.000000000 0.000000000
## 7 0.000000000 0.000000000 0.000000000
## 8 0.000000000 0.000000000 0.000000000
## 9 0.000000000 0.000000000 0.006800248
## 10 0.000000000 0.000000000 0.020302104
## 11 0.000000000 0.000000000 0.021085607
## 12 0.000000000 0.000000000 0.042314212
## 13 0.000000000 0.000000000 0.048116214
## 14 0.000000000 0.000000000 0.049868567
## 15 0.000000000 0.000000000 0.054226068
## 16 0.000000000 0.000000000 0.057406429
## 17 0.000000000 0.000000000 0.062702692
## 18 0.000000000 0.000000000 0.069385824
## 19 0.000000000 0.000000000 0.070253095
## 20 0.000000000 0.000000000 0.070339739
## 21 0.000000000 0.000000000 0.070958622
## 22 0.000000000 0.000000000 0.073486872
## 23 0.000000000 0.000000000 0.071339393
## 24 0.000000000 0.000000000 0.071208823
## 25 0.000000000 0.000000000 0.068372630
## 26 0.000000000 0.000000000 0.070066978
## 27 0.000000000 0.000000000 0.070128495
## 28 0.000000000 0.000000000 0.073109408
## 29 0.000000000 0.000000000 0.075488024
## 30 0.000000000 0.000000000 0.076870416
## 31 0.000000000 0.000000000 0.077922320
## 32 0.000000000 0.000000000 0.079901340
## 33 0.000000000 0.000000000 0.081978483
## 34 0.000000000 0.000000000 0.082143744
## 35 0.000000000 0.000000000 0.082330435
## 36 0.000000000 0.000000000 0.082518656
## 37 0.000000000 0.000000000 0.083918147
## 38 0.000000000 0.000000000 0.083982391
## 39 0.000000000 0.000000000 0.084451920
## 40 0.000000000 0.000000000 0.089096955
## 41 0.009324276 0.000000000 0.092835520
## 42 0.017298599 0.000000000 0.095677869
## 43 0.022027276 0.000000000 0.098957161
## 44 0.027582209 0.000000000 0.101596053
## 45 0.030812274 0.000000000 0.103051442
## 46 0.031839268 -0.002191051 0.104645062
## 47 0.032933434 -0.004356527 0.106252676
## 48 0.035728532 -0.007704522 0.109697527
## 49 0.039705280 -0.012338347 0.114478907
## 50 0.047169969 -0.020898717 0.123278798
## 51 0.053933022 -0.028234044 0.131709105
## 52 0.055018068 -0.029409139 0.133016680
## 53 0.057727876 -0.032841455 0.136755639
## 54 0.059175621 -0.034731146 0.138491773
## 55 0.063111898 -0.039967521 0.143785873
## 56 0.064522024 -0.044462018 0.145372125
## 57 0.068832504 -0.058728629 0.150454488
## 58 0.070473353 -0.062633842 0.152289880
## 59 0.070713910 -0.063401346 0.152654053
## 60 0.071190888 -0.065951139 0.154481913
## 61 0.071344892 -0.066836942 0.155152062
ManufacturingProcess32 and Yield variables have a 0.60 correlation.
plot(df$ManufacturingProcess32, df$Yield)
temp <- df[,c('Yield','ManufacturingProcess32')]
cor(temp)
## Yield ManufacturingProcess32
## Yield 1.0000000 0.6083321
## ManufacturingProcess32 0.6083321 1.0000000