# My book ‘Practical Machine Learning in R and Python: Second edition’ on Amazon

Note: The 3rd edition of this book is now available My book ‘Practical Machine Learning in R and Python: Third edition’ on Amazon

The third edition of my book ‘Practical Machine Learning with R and Python – Machine Learning in stereo’ is now available in both paperback ($12.99) and kindle ($9.99/Rs449) versions.  This second edition includes more content,  extensive comments and formatting for better readability.

In this book I implement some of the most common, but important Machine Learning algorithms in R and equivalent Python code.
1. Practical machine with R and Python: Third Edition – Machine Learning in Stereo(Paperback-$12.99) 2. Practical machine with R and Third Edition – Machine Learning in Stereo(Kindle-$9.99/Rs449)

This book is ideal both for beginners and the experts in R and/or Python. Those starting their journey into datascience and ML will find the first 3 chapters useful, as they touch upon the most important programming constructs in R and Python and also deal with equivalent statements in R and Python. Those who are expert in either of the languages, R or Python, will find the equivalent code ideal for brushing up on the other language. And finally,those who are proficient in both languages, can use the R and Python implementations to internalize the ML algorithms better.

Here is a look at the topics covered

Table of Contents
Preface …………………………………………………………………………….4
Introduction ………………………………………………………………………6
1. Essential R ………………………………………………………………… 8
2. Essential Python for Datascience ……………………………………………57
3. R vs Python …………………………………………………………………81
4. Regression of a continuous variable ……………………………………….101
5. Classification and Cross Validation ………………………………………..121
6. Regression techniques and regularization ………………………………….146
7. SVMs, Decision Trees and Validation curves ………………………………191
8. Splines, GAMs, Random Forests and Boosting ……………………………222
9. PCA, K-Means and Hierarchical Clustering ………………………………258
References ……………………………………………………………………..269

Pick up your copy today!!
Hope you have a great time learning as I did while implementing these algorithms!

# My book ‘Practical Machine Learning with R and Python’ on Amazon

Note: The 3rd edition of this book is now available My book ‘Practical Machine Learning in R and Python: Third edition’ on Amazon

My book ‘Practical Machine Learning with R and Python: Second Edition – Machine Learning in stereo’ is now available in both paperback ($10.99) and kindle ($7.99/Rs449) versions. In this book I implement some of the most common, but important Machine Learning algorithms in R and equivalent Python code. This is almost like listening to parallel channels of music in stereo!
1. Practical machine with R and Python: Third Edition – Machine Learning in Stereo(Paperback-$12.99) 2. Practical machine with R and Python Third Edition – Machine Learning in Stereo(Kindle-$8.99/Rs449)
This book is ideal both for beginners and the experts in R and/or Python. Those starting their journey into datascience and ML will find the first 3 chapters useful, as they touch upon the most important programming constructs in R and Python and also deal with equivalent statements in R and Python. Those who are expert in either of the languages, R or Python, will find the equivalent code ideal for brushing up on the other language. And finally,those who are proficient in both languages, can use the R and Python implementations to internalize the ML algorithms better.

Here is a look at the topics covered

Table of Contents
Essential R …………………………………….. 7
Essential Python for Datascience ………………..   54
R vs Python ……………………………………. 77
Regression of a continuous variable ………………. 96
Classification and Cross Validation ……………….113
Regression techniques and regularization …………. 134
SVMs, Decision Trees and Validation curves …………175
Splines, GAMs, Random Forests and Boosting …………202
PCA, K-Means and Hierarchical Clustering …………. 234

Pick up your copy today!!
Hope you have a great time learning as I did while implementing these algorithms!

# Practical Machine Learning with R and Python – Part 5

This is the 5th and probably penultimate part of my series on ‘Practical Machine Learning with R and Python’. The earlier parts of this series included

1. Practical Machine Learning with R and Python – Part 1 In this initial post, I touch upon univariate, multivariate, polynomial regression and KNN regression in R and Python
2.Practical Machine Learning with R and Python – Part 2 In this post, I discuss Logistic Regression, KNN classification and cross validation error for both LOOCV and K-Fold in both R and Python
3.Practical Machine Learning with R and Python – Part 3 This post covered ‘feature selection’ in Machine Learning. Specifically I touch best fit, forward fit, backward fit, ridge(L2 regularization) & lasso (L1 regularization). The post includes equivalent code in R and Python.
4.Practical Machine Learning with R and Python – Part 4 In this part I discussed SVMs, Decision Trees, validation, precision recall, and roc curves

This post ‘Practical Machine Learning with R and Python – Part 5’ discusses regression with B-splines, natural splines, smoothing splines, generalized additive models (GAMS), bagging, random forest and boosting

As with my previous posts in this series, this post is largely based on the following 2 MOOC courses

1. Statistical Learning, Prof Trevor Hastie & Prof Robert Tibesherani, Online Stanford
2. Applied Machine Learning in Python Prof Kevyn-Collin Thomson, University Of Michigan, Coursera

You can download this R Markdown file and associated data files from Github at MachineLearning-RandPython-Part5

Note: Please listen to my video presentations Machine Learning in youtube
1. Machine Learning in plain English-Part 1
2. Machine Learning in plain English-Part 2
3. Machine Learning in plain English-Part 3

Check out my compact and minimal book  “Practical Machine Learning with R and Python:Third edition- Machine Learning in stereo”  available in Amazon in paperback($12.99) and kindle($8.99) versions. My book includes implementations of key ML algorithms and associated measures and metrics. The book is ideal for anybody who is familiar with the concepts and would like a quick reference to the different ML algorithms that can be applied to problems and how to select the best model. Pick your copy today!!

For this part I have used the data sets from UCI Machine Learning repository(Communities and Crime and Auto MPG)

## 1. Splines

When performing regression (continuous or logistic) between a target variable and a feature (or a set of features), a single polynomial for the entire range of the data set usually does not perform a good fit.Rather we would need to provide we could fit
regression curves for different section of the data set.

There are several techniques which do this for e.g. piecewise-constant functions, piecewise-linear functions, piecewise-quadratic/cubic/4th order polynomial functions etc. One such set of functions are the cubic splines which fit cubic polynomials to successive sections of the dataset. The points where the cubic splines join, are called ‘knots’.

Since each section has a different cubic spline, there could be discontinuities (or breaks) at these knots. To prevent these discontinuities ‘natural splines’ and ‘smoothing splines’ ensure that the seperate cubic functions have 2nd order continuity at these knots with the adjacent splines. 2nd order continuity implies that the value, 1st order derivative and 2nd order derivative at these knots are equal.

A cubic spline with knots $\alpha_{k}$ , k=1,2,3,..K is a piece-wise cubic polynomial with continuous derivative up to order 2 at each knot. We can write $y_{i} = \beta_{0} +\beta_{1}b_{1}(x_{i}) +\beta_{2}b_{2}(x_{i}) + .. + \beta_{K+3}b_{K+3}(x_{i}) + \epsilon_{i}$.
For each ($x{i},y{i}$), $b_{i}$ are called ‘basis’ functions, where  $b_{1}(x_{i})=x_{i}$$b_{2}(x_{i})=x_{i}^2$, $b_{3}(x_{i})=x_{i}^3$, $b_{k+3}(x_{i})=(x_{i} -\alpha_{k})^3$ where k=1,2,3… K The 1st and 2nd derivatives of cubic splines are continuous at the knots. Hence splines provide a smooth continuous fit to the data by fitting different splines to different sections of the data

## 1.1a Fit a 4th degree polynomial – R code

In the code below a non-linear function (a 4th order polynomial) is used to fit the data. Usually when we fit a single polynomial to the entire data set the tails of the fit tend to vary a lot particularly if there are fewer points at the ends. Splines help in reducing this variation at the extremities

library(dplyr)
library(ggplot2)
source('RFunctions-1.R')
# Read the data
df=read.csv("auto_mpg.csv",stringsAsFactors = FALSE) # Data from UCI
df1 <- as.data.frame(sapply(df,as.numeric))
#Select specific columns
df2 <- df1 %>% dplyr::select(cylinder,displacement, horsepower,weight, acceleration, year,mpg)
auto <- df2[complete.cases(df2),]
# Fit a 4th degree polynomial
fit=lm(mpg~poly(horsepower,4),data=auto)
#Display a summary of fit
summary(fit)
##
## Call:
## lm(formula = mpg ~ poly(horsepower, 4), data = auto)
##
## Residuals:
##      Min       1Q   Median       3Q      Max
## -14.8820  -2.5802  -0.1682   2.2100  16.1434
##
## Coefficients:
##                       Estimate Std. Error t value Pr(>|t|)
## (Intercept)            23.4459     0.2209 106.161   <2e-16 ***
## poly(horsepower, 4)1 -120.1377     4.3727 -27.475   <2e-16 ***
## poly(horsepower, 4)2   44.0895     4.3727  10.083   <2e-16 ***
## poly(horsepower, 4)3   -3.9488     4.3727  -0.903    0.367
## poly(horsepower, 4)4   -5.1878     4.3727  -1.186    0.236
## ---
## Signif. codes:  0 '***' 0.001 '**' 0.01 '*' 0.05 '.' 0.1 ' ' 1
##
## Residual standard error: 4.373 on 387 degrees of freedom
## Multiple R-squared:  0.6893, Adjusted R-squared:  0.6861
## F-statistic: 214.7 on 4 and 387 DF,  p-value: < 2.2e-16
#Get the range of horsepower
hp <- range(auto$horsepower) #Create a sequence to be used for plotting hpGrid <- seq(hp[1],hp[2],by=10) #Predict for these values of horsepower. Set Standard error as TRUE pred=predict(fit,newdata=list(horsepower=hpGrid),se=TRUE) #Compute bands on either side that is 2xSE seBands=cbind(pred$fit+2*pred$se.fit,pred$fit-2*pred$se.fit) #Plot the fit with Standard Error bands plot(auto$horsepower,auto$mpg,xlim=hp,cex=.5,col="black",xlab="Horsepower", ylab="MPG", main="Polynomial of degree 4") lines(hpGrid,pred$fit,lwd=2,col="blue")
matlines(hpGrid,seBands,lwd=2,col="blue",lty=3)

## 1.1b Fit a 4th degree polynomial – Python code

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.model_selection import train_test_split
from sklearn.preprocessing import PolynomialFeatures
from sklearn.linear_model import LinearRegression
#Read the auto data
autoDF =pd.read_csv("auto_mpg.csv",encoding="ISO-8859-1")
# Select columns
autoDF1=autoDF[['mpg','cylinder','displacement','horsepower','weight','acceleration','year']]
# Convert all columns to numeric
autoDF2 = autoDF1.apply(pd.to_numeric, errors='coerce')

#Drop NAs
autoDF3=autoDF2.dropna()
autoDF3.shape
X=autoDF3[['horsepower']]
y=autoDF3['mpg']
#Create a polynomial of degree 4
poly = PolynomialFeatures(degree=4)
X_poly = poly.fit_transform(X)

# Fit a polynomial regression line
linreg = LinearRegression().fit(X_poly, y)
# Create a range of values
hpGrid = np.arange(np.min(X),np.max(X),10)
hp=hpGrid.reshape(-1,1)
# Transform to 4th degree
poly = PolynomialFeatures(degree=4)
hp_poly = poly.fit_transform(hp)

#Create a scatter plot
plt.scatter(X,y)
# Fit the prediction
ypred=linreg.predict(hp_poly)
plt.title("Poylnomial of degree 4")
fig2=plt.xlabel("Horsepower")
fig2=plt.ylabel("MPG")
# Draw the regression curve
plt.plot(hp,ypred,c="red")
plt.savefig('fig1.png', bbox_inches='tight')

## 1.1c Fit a B-Spline – R Code

In the code below a B- Spline is fit to data. The B-spline requires the manual selection of knots

#Splines
library(splines)
# Fit a B-spline to the data. Select knots at 60,75,100,150
fit=lm(mpg~bs(horsepower,df=6,knots=c(60,75,100,150)),data=auto)
# Use the fitted regresion to predict
pred=predict(fit,newdata=list(horsepower=hpGrid),se=T)
# Create a scatter plot
plot(auto$horsepower,auto$mpg,xlim=hp,cex=.5,col="black",xlab="Horsepower",
ylab="MPG", main="B-Spline with 4 knots")
#Draw lines with 2 Standard Errors on either side
lines(hpGrid,pred$fit,lwd=2) lines(hpGrid,pred$fit+2*pred$se,lty="dashed") lines(hpGrid,pred$fit-2*pred$se,lty="dashed") abline(v=c(60,75,100,150),lty=2,col="darkgreen") ## 1.1d Fit a Natural Spline – R Code Here a ‘Natural Spline’ is used to fit .The Natural Spline extrapolates beyond the boundary knots and the ends of the function are much more constrained than a regular spline or a global polynomoial where the ends can wag a lot more. Natural splines do not require the explicit selection of knots # There is no need to select the knots here. There is a smoothing parameter which # can be specified by the degrees of freedom 'df' parameter. The natural spline fit2=lm(mpg~ns(horsepower,df=4),data=auto) pred=predict(fit2,newdata=list(horsepower=hpGrid),se=T) plot(auto$horsepower,auto$mpg,xlim=hp,cex=.5,col="black",xlab="Horsepower", ylab="MPG", main="Natural Splines") lines(hpGrid,pred$fit,lwd=2)
lines(hpGrid,pred$fit+2*pred$se,lty="dashed")
lines(hpGrid,pred$fit-2*pred$se,lty="dashed")

## 1.1.e Fit a Smoothing Spline – R code

Here a smoothing spline is used. Smoothing splines also do not require the explicit setting of knots. We can change the ‘degrees of freedom(df)’ paramater to get the best fit

# Smoothing spline has a smoothing parameter, the degrees of freedom
# This is too wiggly
plot(auto$horsepower,auto$mpg,xlim=hp,cex=.5,col="black",xlab="Horsepower",
ylab="MPG", main="Smoothing Splines")

# Here df is set to 16. This has a lot of variance
fit=smooth.spline(auto$horsepower,auto$mpg,df=16)
lines(fit,col="red",lwd=2)

# We can use Cross Validation to allow the spline to pick the value of this smpopothing paramter. We do not need to set the degrees of freedom 'df'
fit=smooth.spline(auto$horsepower,auto$mpg,cv=TRUE)
lines(fit,col="blue",lwd=2)

## 1.1e Splines – Python

There isn’t as much treatment of splines in Python and SKLearn. I did find the LSQUnivariate, UnivariateSpline spline. The LSQUnivariate spline requires the explcit setting of knots

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from scipy.interpolate import LSQUnivariateSpline
autoDF =pd.read_csv("auto_mpg.csv",encoding="ISO-8859-1")
autoDF.shape
autoDF.columns
autoDF1=autoDF[['mpg','cylinder','displacement','horsepower','weight','acceleration','year']]
autoDF2 = autoDF1.apply(pd.to_numeric, errors='coerce')
auto=autoDF2.dropna()
auto=auto[['horsepower','mpg']].sort_values('horsepower')

# Set the knots manually
knots=[65,75,100,150]
# Create an array for X & y
X=np.array(auto['horsepower'])
y=np.array(auto['mpg'])
# Fit a LSQunivariate spline
s = LSQUnivariateSpline(X,y,knots)

#Plot the spline
xs = np.linspace(40,230,1000)
ys = s(xs)
plt.scatter(X, y)
plt.plot(xs, ys)
plt.savefig('fig2.png', bbox_inches='tight')


## 1.2 Generalized Additiive models (GAMs)

Generalized Additive Models (GAMs) is a really powerful ML tool.

$y_{i} = \beta_{0} + f_{1}(x_{i1}) + f_{2}(x_{i2}) + .. +f_{p}(x_{ip}) + \epsilon_{i}$

In GAMs we use a different functions for each of the variables. GAMs give a much better fit since we can choose any function for the different sections

## 1.2a Generalized Additive Models (GAMs) – R Code

The plot below show the smooth spline that is fit for each of the features horsepower, cylinder, displacement, year and acceleration. We can use any function for example loess, 4rd order polynomial etc.

library(gam)
# Fit a smoothing spline for horsepower, cyliner, displacement and acceleration
gam=gam(mpg~s(horsepower,4)+s(cylinder,5)+s(displacement,4)+s(year,4)+s(acceleration,5),data=auto)
# Display the summary of the fit. This give the significance of each of the paramwetr
# Also an ANOVA is given for each combination of the features
summary(gam)
##
## Call: gam(formula = mpg ~ s(horsepower, 4) + s(cylinder, 5) + s(displacement,
##     4) + s(year, 4) + s(acceleration, 5), data = auto)
## Deviance Residuals:
##     Min      1Q  Median      3Q     Max
## -8.3190 -1.4436 -0.0261  1.2279 12.0873
##
## (Dispersion Parameter for gaussian family taken to be 6.9943)
##
##     Null Deviance: 23818.99 on 391 degrees of freedom
## Residual Deviance: 2587.881 on 370 degrees of freedom
## AIC: 1898.282
##
## Number of Local Scoring Iterations: 3
##
## Anova for Parametric Effects
##                     Df  Sum Sq Mean Sq  F value    Pr(>F)
## s(horsepower, 4)     1 15632.8 15632.8 2235.085 < 2.2e-16 ***
## s(cylinder, 5)       1   508.2   508.2   72.666 3.958e-16 ***
## s(displacement, 4)   1   374.3   374.3   53.514 1.606e-12 ***
## s(year, 4)           1  2263.2  2263.2  323.583 < 2.2e-16 ***
## s(acceleration, 5)   1   372.4   372.4   53.246 1.809e-12 ***
## Residuals          370  2587.9     7.0
## ---
## Signif. codes:  0 '***' 0.001 '**' 0.01 '*' 0.05 '.' 0.1 ' ' 1
##
## Anova for Nonparametric Effects
##                    Npar Df Npar F     Pr(F)
## (Intercept)
## s(horsepower, 4)         3 13.825 1.453e-08 ***
## s(cylinder, 5)           3 17.668 9.712e-11 ***
## s(displacement, 4)       3 44.573 < 2.2e-16 ***
## s(year, 4)               3 23.364 7.183e-14 ***
## s(acceleration, 5)       4  3.848  0.004453 **
## ---
## Signif. codes:  0 '***' 0.001 '**' 0.01 '*' 0.05 '.' 0.1 ' ' 1
par(mfrow=c(2,3))
plot(gam,se=TRUE)

## 1.2b Generalized Additive Models (GAMs) – Python Code

I did not find the equivalent of GAMs in SKlearn in Python. There was an early prototype (2012) in Github. Looks like it is still work in progress or has probably been abandoned.

## 1.3 Tree based Machine Learning Models

Tree based Machine Learning are all based on the ‘bootstrapping’ technique. In bootstrapping given a sample of size N, we create datasets of size N by sampling this original dataset with replacement. Machine Learning models are built on the different bootstrapped samples and then averaged.

Decision Trees as seen above have the tendency to overfit. There are several techniques that help to avoid this namely a) Bagging b) Random Forests c) Boosting

### Bagging, Random Forest and Gradient Boosting

Bagging: Bagging, or Bootstrap Aggregation decreases the variance of predictions, by creating separate Decisiion Tree based ML models on the different samples and then averaging these ML models

Random Forests: Bagging is a greedy algorithm and tries to produce splits based on all variables which try to minimize the error. However the different ML models have a high correlation. Random Forests remove this shortcoming, by using a variable and random set of features to split on. Hence the features chosen and the resulting trees are uncorrelated. When these ML models are averaged the performance is much better.

Boosting: Gradient Boosted Decision Trees also use an ensemble of trees but they don’t build Machine Learning models with random set of features at each step. Rather small and simple trees are built. Successive trees try to minimize the error from the earlier trees.

Out of Bag (OOB) Error: In Random Forest and Gradient Boosting for each bootstrap sample taken from the dataset, there will be samples left out. These are known as Out of Bag samples.Classification accuracy carried out on these OOB samples is known as OOB error

## 1.31a Decision Trees – R Code

The code below creates a Decision tree with the cancer training data. The summary of the fit is output. Based on the ML model, the predict function is used on test data and a confusion matrix is output.

# Read the cancer data
library(tree)
library(caret)
library(e1071)
cancer <- read.csv("cancer.csv",stringsAsFactors = FALSE)
cancer <- cancer[,2:32]
cancer$target <- as.factor(cancer$target)
train_idx <- trainTestSplit(cancer,trainPercent=75,seed=5)
train <- cancer[train_idx, ]
test <- cancer[-train_idx, ]

# Create Decision Tree
cancerStatus=tree(target~.,train)
summary(cancerStatus)
##
## Classification tree:
## tree(formula = target ~ ., data = train)
## Variables actually used in tree construction:
## [1] "worst.perimeter"      "worst.concave.points" "area.error"
## [4] "worst.texture"        "mean.texture"         "mean.concave.points"
## Number of terminal nodes:  9
## Residual mean deviance:  0.1218 = 50.8 / 417
## Misclassification error rate: 0.02347 = 10 / 426
pred <- predict(cancerStatus,newdata=test,type="class")
confusionMatrix(pred,test$target) ## Confusion Matrix and Statistics ## ## Reference ## Prediction 0 1 ## 0 49 7 ## 1 8 78 ## ## Accuracy : 0.8944 ## 95% CI : (0.8318, 0.9397) ## No Information Rate : 0.5986 ## P-Value [Acc > NIR] : 4.641e-15 ## ## Kappa : 0.7795 ## Mcnemar's Test P-Value : 1 ## ## Sensitivity : 0.8596 ## Specificity : 0.9176 ## Pos Pred Value : 0.8750 ## Neg Pred Value : 0.9070 ## Prevalence : 0.4014 ## Detection Rate : 0.3451 ## Detection Prevalence : 0.3944 ## Balanced Accuracy : 0.8886 ## ## 'Positive' Class : 0 ##  # Plot decision tree with labels plot(cancerStatus) text(cancerStatus,pretty=0) ## 1.31b Decision Trees – Cross Validation – R Code We can also perform a Cross Validation on the data to identify the Decision Tree which will give the minimum deviance. library(tree) cancer <- read.csv("cancer.csv",stringsAsFactors = FALSE) cancer <- cancer[,2:32] cancer$target <- as.factor(cancer$target) train_idx <- trainTestSplit(cancer,trainPercent=75,seed=5) train <- cancer[train_idx, ] test <- cancer[-train_idx, ] # Create Decision Tree cancerStatus=tree(target~.,train) # Execute 10 fold cross validation cvCancer=cv.tree(cancerStatus) plot(cvCancer) # Plot the plot(cvCancer$size,cvCancer$dev,type='b') prunedCancer=prune.tree(cancerStatus,best=4) plot(prunedCancer) text(prunedCancer,pretty=0) pred <- predict(prunedCancer,newdata=test,type="class") confusionMatrix(pred,test$target)
## Confusion Matrix and Statistics
##
##           Reference
## Prediction  0  1
##          0 50  7
##          1  7 78
##
##                Accuracy : 0.9014
##                  95% CI : (0.8401, 0.945)
##     No Information Rate : 0.5986
##     P-Value [Acc > NIR] : 7.988e-16
##
##                   Kappa : 0.7948
##  Mcnemar's Test P-Value : 1
##
##             Sensitivity : 0.8772
##             Specificity : 0.9176
##          Pos Pred Value : 0.8772
##          Neg Pred Value : 0.9176
##              Prevalence : 0.4014
##          Detection Rate : 0.3521
##    Detection Prevalence : 0.4014
##       Balanced Accuracy : 0.8974
##
##        'Positive' Class : 0
## 

## 1.31c Decision Trees – Python Code

Below is the Python code for creating Decision Trees. The accuracy, precision, recall and F1 score is computed on the test data set.

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.metrics import confusion_matrix
from sklearn import tree
from sklearn.datasets import load_breast_cancer
from sklearn.model_selection import train_test_split
from sklearn.tree import DecisionTreeClassifier
from sklearn.datasets import make_classification, make_blobs
from sklearn.metrics import accuracy_score, precision_score, recall_score, f1_score
import graphviz

cancer = load_breast_cancer()
(X_cancer, y_cancer) = load_breast_cancer(return_X_y = True)

X_train, X_test, y_train, y_test = train_test_split(X_cancer, y_cancer,
random_state = 0)
clf = DecisionTreeClassifier().fit(X_train, y_train)

print('Accuracy of Decision Tree classifier on training set: {:.2f}'
.format(clf.score(X_train, y_train)))
print('Accuracy of Decision Tree classifier on test set: {:.2f}'
.format(clf.score(X_test, y_test)))

y_predicted=clf.predict(X_test)
confusion = confusion_matrix(y_test, y_predicted)
print('Accuracy: {:.2f}'.format(accuracy_score(y_test, y_predicted)))
print('Precision: {:.2f}'.format(precision_score(y_test, y_predicted)))
print('Recall: {:.2f}'.format(recall_score(y_test, y_predicted)))
print('F1: {:.2f}'.format(f1_score(y_test, y_predicted)))

# Plot the Decision Tree
clf = DecisionTreeClassifier(max_depth=2).fit(X_train, y_train)
dot_data = tree.export_graphviz(clf, out_file=None,
feature_names=cancer.feature_names,
class_names=cancer.target_names,
filled=True, rounded=True,
special_characters=True)
graph = graphviz.Source(dot_data)
graph
## Accuracy of Decision Tree classifier on training set: 1.00
## Accuracy of Decision Tree classifier on test set: 0.87
## Accuracy: 0.87
## Precision: 0.97
## Recall: 0.82
## F1: 0.89

## 1.31d Decision Trees – Cross Validation – Python Code

In the code below 5-fold cross validation is performed for different depths of the tree and the accuracy is computed. The accuracy on the test set seems to plateau when the depth is 8. But it is seen to increase again from 10 to 12. More analysis needs to be done here


import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.datasets import load_breast_cancer
from sklearn.tree import DecisionTreeClassifier
(X_cancer, y_cancer) = load_breast_cancer(return_X_y = True)
from sklearn.cross_validation import train_test_split, KFold
def computeCVAccuracy(X,y,folds):
accuracy=[]
foldAcc=[]
depth=[1,2,3,4,5,6,7,8,9,10,11,12]
nK=len(X)/float(folds)
xval_err=0
for i in depth:
kf = KFold(len(X),n_folds=folds)
for train_index, test_index in kf:
X_train, X_test = X.iloc[train_index], X.iloc[test_index]
y_train, y_test = y.iloc[train_index], y.iloc[test_index]
clf = DecisionTreeClassifier(max_depth = i).fit(X_train, y_train)
score=clf.score(X_test, y_test)
accuracy.append(score)

foldAcc.append(np.mean(accuracy))

return(foldAcc)

cvAccuracy=computeCVAccuracy(pd.DataFrame(X_cancer),pd.DataFrame(y_cancer),folds=10)

df1=pd.DataFrame(cvAccuracy)
df1.columns=['cvAccuracy']
df=df1.reindex([1,2,3,4,5,6,7,8,9,10,11,12])
df.plot()
plt.title("Decision Tree - 10-fold Cross Validation Accuracy vs Depth of tree")
plt.xlabel("Depth of tree")
plt.ylabel("Accuracy")
plt.savefig('fig3.png', bbox_inches='tight')

## 1.4a Random Forest – R code

A Random Forest is fit using the Boston data. The summary shows that 4 variables were randomly chosen at each split and the resulting ML model explains 88.72% of the test data. Also the variable importance is plotted. It can be seen that ‘rooms’ and ‘status’ are the most influential features in the model

library(randomForest)
df=read.csv("Boston.csv",stringsAsFactors = FALSE) # Data from MASS - SL

# Select specific columns
Boston <- df %>% dplyr::select("crimeRate","zone","indus","charles","nox","rooms","age",                          "distances","highways","tax","teacherRatio","color",
"status","medianValue")

# Fit a Random Forest on the Boston training data
rfBoston=randomForest(medianValue~.,data=Boston)
# Display the summatu of the fit. It can be seen that the MSE is 10.88
# and the percentage variance explained is 86.14%. About 4 variables were tried at each # #split for a maximum tree of 500.
# The MSE and percent variance is on Out of Bag trees
rfBoston
##
## Call:
##  randomForest(formula = medianValue ~ ., data = Boston)
##                Type of random forest: regression
##                      Number of trees: 500
## No. of variables tried at each split: 4
##
##           Mean of squared residuals: 9.521672
##                     % Var explained: 88.72
#List and plot the variable importances
importance(rfBoston)
##              IncNodePurity
## crimeRate        2602.1550
## zone              258.8057
## indus            2599.6635
## charles           240.2879
## nox              2748.8485
## rooms           12011.6178
## age              1083.3242
## distances        2432.8962
## highways          393.5599
## tax              1348.6987
## teacherRatio     2841.5151
## color             731.4387
## status          12735.4046
varImpPlot(rfBoston)

## 1.4b Random Forest-OOB and Cross Validation Error – R code

The figure below shows the OOB error and the Cross Validation error vs the ‘mtry’. Here mtry indicates the number of random features that are chosen at each split. The lowest test error occurs when mtry = 8

library(randomForest)
df=read.csv("Boston.csv",stringsAsFactors = FALSE) # Data from MASS - SL

# Select specific columns
Boston <- df %>% dplyr::select("crimeRate","zone","indus","charles","nox","rooms","age",                          "distances","highways","tax","teacherRatio","color",
"status","medianValue")
# Split as training and tst sets
train_idx <- trainTestSplit(Boston,trainPercent=75,seed=5)
train <- Boston[train_idx, ]
test <- Boston[-train_idx, ]

#Initialize OOD and testError
oobError <- NULL
testError <- NULL
# In the code below the number of variables to consider at each split is increased
# from 1 - 13(max features) and the OOB error and the MSE is computed
for(i in 1:13){
fitRF=randomForest(medianValue~.,data=train,mtry=i,ntree=400)
oobError[i] <-fitRF$mse[400] pred <- predict(fitRF,newdata=test) testError[i] <- mean((pred-test$medianValue)^2)
}

# We can see the OOB and Test Error. It can be seen that the Random Forest performs
# best with the lowers MSE at mtry=6
matplot(1:13,cbind(testError,oobError),pch=19,col=c("red","blue"),
type="b",xlab="mtry(no of varaibles at each split)", ylab="Mean Squared Error",
main="Random Forest - OOB and Test Error")
legend("topright",legend=c("OOB","Test"),pch=19,col=c("red","blue"))

## 1.4c Random Forest – Python code

The python code for Random Forest Regression is shown below. The training and test score is computed. The variable importance shows that ‘rooms’ and ‘status’ are the most influential of the variables

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.model_selection import train_test_split
from sklearn.ensemble import RandomForestRegressor
df = pd.read_csv("Boston.csv",encoding = "ISO-8859-1")

X=df[['crimeRate','zone', 'indus','charles','nox','rooms', 'age','distances','highways','tax',
'teacherRatio','color','status']]
y=df['medianValue']

X_train, X_test, y_train, y_test = train_test_split(X, y, random_state = 0)

regr = RandomForestRegressor(max_depth=4, random_state=0)
regr.fit(X_train, y_train)

print('R-squared score (training): {:.3f}'
.format(regr.score(X_train, y_train)))
print('R-squared score (test): {:.3f}'
.format(regr.score(X_test, y_test)))

feature_names=['crimeRate','zone', 'indus','charles','nox','rooms', 'age','distances','highways','tax',
'teacherRatio','color','status']
print(regr.feature_importances_)
plt.figure(figsize=(10,6),dpi=80)
c_features=X_train.shape[1]
plt.barh(np.arange(c_features),regr.feature_importances_)
plt.xlabel("Feature importance")
plt.ylabel("Feature name")

plt.yticks(np.arange(c_features), feature_names)
plt.tight_layout()

plt.savefig('fig4.png', bbox_inches='tight')

## R-squared score (training): 0.917
## R-squared score (test): 0.734
## [ 0.03437382  0.          0.00580335  0.          0.00731004  0.36461548
##   0.00638577  0.03432173  0.0041244   0.01732328  0.01074148  0.0012638
##   0.51373683]

## 1.4d Random Forest – Cross Validation and OOB Error – Python code

As with R the ‘max_features’ determines the random number of features the random forest will use at each split. The plot shows that when max_features=8 the MSE is lowest

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.model_selection import train_test_split
from sklearn.ensemble import RandomForestRegressor
from sklearn.model_selection import cross_val_score
df = pd.read_csv("Boston.csv",encoding = "ISO-8859-1")

X=df[['crimeRate','zone', 'indus','charles','nox','rooms', 'age','distances','highways','tax',
'teacherRatio','color','status']]
y=df['medianValue']

cvError=[]
oobError=[]
oobMSE=[]
for i in range(1,13):
regr = RandomForestRegressor(max_depth=4, n_estimators=400,max_features=i,oob_score=True,random_state=0)
mse= np.mean(cross_val_score(regr, X, y, cv=5,scoring = 'neg_mean_squared_error'))
# Since this is neg_mean_squared_error I have inverted the sign to get MSE
cvError.append(-mse)
# Fit on all data to compute OOB error
regr.fit(X, y)
# Record the OOB error for each max_features=i setting
oob = 1 - regr.oob_score_
oobError.append(oob)
# Get the Out of Bag prediction
oobPred=regr.oob_prediction_
# Compute the Mean Squared Error between OOB Prediction and target
mseOOB=np.mean(np.square(oobPred-y))
oobMSE.append(mseOOB)

# Plot the CV Error and OOB Error
# Set max_features
maxFeatures=np.arange(1,13)
cvError=pd.DataFrame(cvError,index=maxFeatures)
oobMSE=pd.DataFrame(oobMSE,index=maxFeatures)
#Plot
fig8=df.plot()
fig8=plt.title('Random forest - CV Error and OOB Error vs max_features')
fig8.figure.savefig('fig8.png', bbox_inches='tight')

#Plot the OOB Error vs max_features
plt.plot(range(1,13),oobError)
fig2=plt.title("Random Forest - OOB Error vs max_features (variable no of features)")
fig2=plt.xlabel("max_features (variable no of features)")
fig2=plt.ylabel("OOB Error")
fig2.figure.savefig('fig7.png', bbox_inches='tight')


## 1.5a Boosting – R code

Here a Gradient Boosted ML Model is built with a n.trees=5000, with a learning rate of 0.01 and depth of 4. The feature importance plot also shows that rooms and status are the 2 most important features. The MSE vs the number of trees plateaus around 2000 trees

library(gbm)
# Perform gradient boosting on the Boston data set. The distribution is gaussian since we
# doing MSE. The interaction depth specifies the number of splits
boostBoston=gbm(medianValue~.,data=train,distribution="gaussian",n.trees=5000,
shrinkage=0.01,interaction.depth=4)
#The summary gives the variable importance. The 2 most significant variables are
# number of rooms and lower status
summary(boostBoston)

##                       var    rel.inf
## rooms               rooms 42.2267200
## status             status 27.3024671
## distances       distances  7.9447972
## crimeRate       crimeRate  5.0238827
## nox                   nox  4.0616548
## teacherRatio teacherRatio  3.1991999
## age                   age  2.7909772
## color               color  2.3436295
## tax                   tax  2.1386213
## charles           charles  1.3799109
## highways         highways  0.7644026
## indus               indus  0.7236082
## zone                 zone  0.1001287
# The plots below show how each variable relates to the median value of the home. As
# the number of roomd increase the median value increases and with increase in lower status
# the median value decreases
par(mfrow=c(1,2))
#Plot the relation between the top 2 features and the target
plot(boostBoston,i="rooms")
plot(boostBoston,i="status")

# Create a sequence of trees between 100-5000 incremented by 50
nTrees=seq(100,5000,by=50)
# Predict the values for the test data
pred <- predict(boostBoston,newdata=test,n.trees=nTrees)
# Compute the mean for each of the MSE for each of the number of trees
boostError <- apply((pred-test$medianValue)^2,2,mean) #Plot the MSE vs the number of trees plot(nTrees,boostError,pch=19,col="blue",ylab="Mean Squared Error", main="Boosting Test Error") ## 1.5b Cross Validation Boosting – R code Included below is a cross validation error vs the learning rate. The lowest error is when learning rate = 0.09 cvError <- NULL s <- c(.001,0.01,0.03,0.05,0.07,0.09,0.1) for(i in seq_along(s)){ cvBoost=gbm(medianValue~.,data=train,distribution="gaussian",n.trees=5000, shrinkage=s[i],interaction.depth=4,cv.folds=5) cvError[i] <- mean(cvBoost$cv.error)
}

# Create a data frame for plotting
a <- rbind(s,cvError)
b <- as.data.frame(t(a))
# It can be seen that a shrinkage parameter of 0,05 gives the lowes CV Error
ggplot(b,aes(s,cvError)) + geom_point() + geom_line(color="blue") +
xlab("Shrinkage") + ylab("Cross Validation Error") +
ggtitle("Gradient boosted trees - Cross Validation error vs Shrinkage")

## 1.5c Boosting – Python code

A gradient boost ML model in Python is created below. The Rsquared score is computed on the training and test data.

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.model_selection import train_test_split
from sklearn.ensemble import GradientBoostingRegressor
df = pd.read_csv("Boston.csv",encoding = "ISO-8859-1")

X=df[['crimeRate','zone', 'indus','charles','nox','rooms', 'age','distances','highways','tax',
'teacherRatio','color','status']]
y=df['medianValue']

X_train, X_test, y_train, y_test = train_test_split(X, y, random_state = 0)

regr = GradientBoostingRegressor()
regr.fit(X_train, y_train)

print('R-squared score (training): {:.3f}'
.format(regr.score(X_train, y_train)))
print('R-squared score (test): {:.3f}'
.format(regr.score(X_test, y_test)))
## R-squared score (training): 0.983
## R-squared score (test): 0.821

## 1.5c Cross Validation Boosting – Python code

the cross validation error is computed as the learning rate is varied. The minimum CV eror occurs when lr = 0.04

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.model_selection import train_test_split
from sklearn.ensemble import RandomForestRegressor
from sklearn.ensemble import GradientBoostingRegressor
from sklearn.model_selection import cross_val_score
df = pd.read_csv("Boston.csv",encoding = "ISO-8859-1")

X=df[['crimeRate','zone', 'indus','charles','nox','rooms', 'age','distances','highways','tax',
'teacherRatio','color','status']]
y=df['medianValue']

cvError=[]
learning_rate =[.001,0.01,0.03,0.05,0.07,0.09,0.1]
for lr in learning_rate:
regr = GradientBoostingRegressor(max_depth=4, n_estimators=400,learning_rate  =lr,random_state=0)
mse= np.mean(cross_val_score(regr, X, y, cv=10,scoring = 'neg_mean_squared_error'))
# Since this is neg_mean_squared_error I have inverted the sign to get MSE
cvError.append(-mse)
learning_rate =[.001,0.01,0.03,0.05,0.07,0.09,0.1]
plt.plot(learning_rate,cvError)
plt.title("Gradient Boosting - 5-fold CV- Mean Squared Error vs max_features (variable no of features)")
plt.xlabel("max_features (variable no of features)")
plt.ylabel("Mean Squared Error")
plt.savefig('fig6.png', bbox_inches='tight')

Conclusion This post covered Splines and Tree based ML models like Bagging, Random Forest and Boosting. Stay tuned for further updates.

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To see all posts see Index of posts

# Practical Machine Learning with R and Python – Part 4

This is the 4th installment of my ‘Practical Machine Learning with R and Python’ series. In this part I discuss classification with Support Vector Machines (SVMs), using both a Linear and a Radial basis kernel, and Decision Trees. Further, a closer look is taken at some of the metrics associated with binary classification, namely accuracy vs precision and recall. I also touch upon Validation curves, Precision-Recall, ROC curves and AUC with equivalent code in R and Python

This post is a continuation of my 3 earlier posts on Practical Machine Learning in R and Python
1. Practical Machine Learning with R and Python – Part 1
2. Practical Machine Learning with R and Python – Part 2
3. Practical Machine Learning with R and Python – Part 3

The RMarkdown file with the code and the associated data files can be downloaded from Github at MachineLearning-RandPython-Part4

Note: Please listen to my video presentations Machine Learning in youtube
1. Machine Learning in plain English-Part 1
2. Machine Learning in plain English-Part 2
3. Machine Learning in plain English-Part 3

Check out my compact and minimal book  “Practical Machine Learning with R and Python:Third edition- Machine Learning in stereo”  available in Amazon in paperback($12.99) and kindle($8.99) versions. My book includes implementations of key ML algorithms and associated measures and metrics. The book is ideal for anybody who is familiar with the concepts and would like a quick reference to the different ML algorithms that can be applied to problems and how to select the best model. Pick your copy today!!

Support Vector Machines (SVM) are another useful Machine Learning model that can be used for both regression and classification problems. SVMs used in classification, compute the hyperplane, that separates the 2 classes with the maximum margin. To do this the features may be transformed into a larger multi-dimensional feature space. SVMs can be used with different kernels namely linear, polynomial or radial basis to determine the best fitting model for a given classification problem.

In the 2nd part of this series Practical Machine Learning with R and Python – Part 2, I had mentioned the various metrics that are used in classification ML problems namely Accuracy, Precision, Recall and F1 score. Accuracy gives the fraction of data that were correctly classified as belonging to the +ve or -ve class. However ‘accuracy’ in itself is not a good enough measure because it does not take into account the fraction of the data that were incorrectly classified. This issue becomes even more critical in different domains. For e.g a surgeon who would like to detect cancer, would like to err on the side of caution, and classify even a possibly non-cancerous patient as possibly having cancer, rather than mis-classifying a malignancy as benign. Here we would like to increase recall or sensitivity which is  given by Recall= TP/(TP+FN) or we try reduce mis-classification by either increasing the (true positives) TP or reducing (false negatives) FN

On the other hand, search algorithms would like to increase precision which tries to reduce the number of irrelevant results in the search result. Precision= TP/(TP+FP). In other words we do not want ‘false positives’ or irrelevant results to come in the search results and there is a need to reduce the false positives.

When we try to increase ‘precision’, we do so at the cost of ‘recall’, and vice-versa. I found this diagram and explanation in Wikipedia very useful Source: Wikipedia

“Consider a brain surgeon tasked with removing a cancerous tumor from a patient’s brain. The surgeon needs to remove all of the tumor cells since any remaining cancer cells will regenerate the tumor. Conversely, the surgeon must not remove healthy brain cells since that would leave the patient with impaired brain function. The surgeon may be more liberal in the area of the brain she removes to ensure she has extracted all the cancer cells. This decision increases recall but reduces precision. On the other hand, the surgeon may be more conservative in the brain she removes to ensure she extracts only cancer cells. This decision increases precision but reduces recall. That is to say, greater recall increases the chances of removing healthy cells (negative outcome) and increases the chances of removing all cancer cells (positive outcome). Greater precision decreases the chances of removing healthy cells (positive outcome) but also decreases the chances of removing all cancer cells (negative outcome).”

## 1.1a. Linear SVM – R code

In R code below I use SVM with linear kernel

source('RFunctions-1.R')
library(dplyr)
library(e1071)
library(caret)
library(reshape2)
library(ggplot2)
# Read data. Data from SKLearn
cancer <- read.csv("cancer.csv")
cancer$target <- as.factor(cancer$target)

# Split into training and test sets
train_idx <- trainTestSplit(cancer,trainPercent=75,seed=5)
train <- cancer[train_idx, ]
test <- cancer[-train_idx, ]

# Fit a linear basis kernel. DO not scale the data
svmfit=svm(target~., data=train, kernel="linear",scale=FALSE)
ypred=predict(svmfit,test)
#Print a confusion matrix
confusionMatrix(ypred,test$target) ## Confusion Matrix and Statistics ## ## Reference ## Prediction 0 1 ## 0 54 3 ## 1 3 82 ## ## Accuracy : 0.9577 ## 95% CI : (0.9103, 0.9843) ## No Information Rate : 0.5986 ## P-Value [Acc > NIR] : <2e-16 ## ## Kappa : 0.9121 ## Mcnemar's Test P-Value : 1 ## ## Sensitivity : 0.9474 ## Specificity : 0.9647 ## Pos Pred Value : 0.9474 ## Neg Pred Value : 0.9647 ## Prevalence : 0.4014 ## Detection Rate : 0.3803 ## Detection Prevalence : 0.4014 ## Balanced Accuracy : 0.9560 ## ## 'Positive' Class : 0 ##  ## 1.1b Linear SVM – Python code The code below creates a SVM with linear basis in Python and also dumps the corresponding classification metrics import numpy as np import pandas as pd import os import matplotlib.pyplot as plt from sklearn.model_selection import train_test_split from sklearn.svm import LinearSVC from sklearn.datasets import make_classification, make_blobs from sklearn.metrics import confusion_matrix from matplotlib.colors import ListedColormap from sklearn.datasets import load_breast_cancer # Load the cancer data (X_cancer, y_cancer) = load_breast_cancer(return_X_y = True) X_train, X_test, y_train, y_test = train_test_split(X_cancer, y_cancer, random_state = 0) clf = LinearSVC().fit(X_train, y_train) print('Breast cancer dataset') print('Accuracy of Linear SVC classifier on training set: {:.2f}' .format(clf.score(X_train, y_train))) print('Accuracy of Linear SVC classifier on test set: {:.2f}' .format(clf.score(X_test, y_test))) ## Breast cancer dataset ## Accuracy of Linear SVC classifier on training set: 0.92 ## Accuracy of Linear SVC classifier on test set: 0.94 ## 1.2 Dummy classifier Often when we perform classification tasks using any ML model namely logistic regression, SVM, neural networks etc. it is very useful to determine how well the ML model performs agains at dummy classifier. A dummy classifier uses some simple computation like frequency of majority class, instead of fitting and ML model. It is essential that our ML model does much better that the dummy classifier. This problem is even more important in imbalanced classes where we have only about 10% of +ve samples. If any ML model we create has a accuracy of about 0.90 then it is evident that our classifier is not doing any better than a dummy classsfier which can just take a majority count of this imbalanced class and also come up with 0.90. We need to be able to do better than that. In the examples below (1.3a & 1.3b) it can be seen that SVMs with ‘radial basis’ kernel with unnormalized data, for both R and Python, do not perform any better than the dummy classifier. ## 1.2a Dummy classifier – R code R does not seem to have an explicit dummy classifier. I created a simple dummy classifier that predicts the majority class. SKlearn in Python also includes other strategies like uniform, stratified etc. but this should be possible to create in R also. # Create a simple dummy classifier that computes the ratio of the majority class to the totla DummyClassifierAccuracy <- function(train,test,type="majority"){ if(type=="majority"){ count <- sum(train$target==1)/dim(train)[1]
}
count
}

cancer <- read.csv("cancer.csv")
cancer$target <- as.factor(cancer$target)

# Create training and test sets
train_idx <- trainTestSplit(cancer,trainPercent=75,seed=5)
train <- cancer[train_idx, ]
test <- cancer[-train_idx, ]

#Dummy classifier majority class
acc=DummyClassifierAccuracy(train,test)
sprintf("Accuracy is %f",acc)
## [1] "Accuracy is 0.638498"

## 1.2b Dummy classifier – Python code

This dummy classifier uses the majority class.

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.datasets import load_breast_cancer
from sklearn.model_selection import train_test_split
from sklearn.dummy import DummyClassifier
from sklearn.metrics import confusion_matrix
(X_cancer, y_cancer) = load_breast_cancer(return_X_y = True)
X_train, X_test, y_train, y_test = train_test_split(X_cancer, y_cancer,
random_state = 0)

# Negative class (0) is most frequent
dummy_majority = DummyClassifier(strategy = 'most_frequent').fit(X_train, y_train)
y_dummy_predictions = dummy_majority.predict(X_test)

print('Dummy classifier accuracy on test set: {:.2f}'
.format(dummy_majority.score(X_test, y_test)))

## Dummy classifier accuracy on test set: 0.63

## 1.3a – Radial SVM (un-normalized) – R code

SVMs perform better when the data is normalized or scaled. The 2 examples below show that SVM with radial basis kernel does not perform any better than the dummy classifier

library(dplyr)
library(e1071)
library(caret)
library(reshape2)
library(ggplot2)

# Radial SVM unnormalized
train_idx <- trainTestSplit(cancer,trainPercent=75,seed=5)
train <- cancer[train_idx, ]
test <- cancer[-train_idx, ]
# Unnormalized data
svmfit=svm(target~., data=train, kernel="radial",cost=10,scale=FALSE)
ypred=predict(svmfit,test)
confusionMatrix(ypred,test$target) ## Confusion Matrix and Statistics ## ## Reference ## Prediction 0 1 ## 0 0 0 ## 1 57 85 ## ## Accuracy : 0.5986 ## 95% CI : (0.5131, 0.6799) ## No Information Rate : 0.5986 ## P-Value [Acc > NIR] : 0.5363 ## ## Kappa : 0 ## Mcnemar's Test P-Value : 1.195e-13 ## ## Sensitivity : 0.0000 ## Specificity : 1.0000 ## Pos Pred Value : NaN ## Neg Pred Value : 0.5986 ## Prevalence : 0.4014 ## Detection Rate : 0.0000 ## Detection Prevalence : 0.0000 ## Balanced Accuracy : 0.5000 ## ## 'Positive' Class : 0 ##  ## 1.4b – Radial SVM (un-normalized) – Python code import numpy as np import pandas as pd import os import matplotlib.pyplot as plt from sklearn.datasets import load_breast_cancer from sklearn.model_selection import train_test_split from sklearn.svm import SVC # Load the cancer data (X_cancer, y_cancer) = load_breast_cancer(return_X_y = True) X_train, X_test, y_train, y_test = train_test_split(X_cancer, y_cancer, random_state = 0) clf = SVC(C=10).fit(X_train, y_train) print('Breast cancer dataset (unnormalized features)') print('Accuracy of RBF-kernel SVC on training set: {:.2f}' .format(clf.score(X_train, y_train))) print('Accuracy of RBF-kernel SVC on test set: {:.2f}' .format(clf.score(X_test, y_test))) ## Breast cancer dataset (unnormalized features) ## Accuracy of RBF-kernel SVC on training set: 1.00 ## Accuracy of RBF-kernel SVC on test set: 0.63 ## 1.5a – Radial SVM (Normalized) -R Code The data is scaled (normalized ) before using the SVM model. The SVM model has 2 paramaters a) C – Large C (less regularization), more regularization b) gamma – Small gamma has larger decision boundary with more misclassfication, and larger gamma has tighter decision boundary The R code below computes the accuracy as the regularization paramater is changed trainingAccuracy <- NULL testAccuracy <- NULL C1 <- c(.01,.1, 1, 10, 20) for(i in C1){ svmfit=svm(target~., data=train, kernel="radial",cost=i,scale=TRUE) ypredTrain <-predict(svmfit,train) ypredTest=predict(svmfit,test) a <-confusionMatrix(ypredTrain,train$target)
b <-confusionMatrix(ypredTest,test$target) trainingAccuracy <-c(trainingAccuracy,a$overall[1])
testAccuracy <-c(testAccuracy,b$overall[1]) } print(trainingAccuracy) ## Accuracy Accuracy Accuracy Accuracy Accuracy ## 0.6384977 0.9671362 0.9906103 0.9976526 1.0000000 print(testAccuracy) ## Accuracy Accuracy Accuracy Accuracy Accuracy ## 0.5985915 0.9507042 0.9647887 0.9507042 0.9507042 a <-rbind(C1,as.numeric(trainingAccuracy),as.numeric(testAccuracy)) b <- data.frame(t(a)) names(b) <- c("C1","trainingAccuracy","testAccuracy") df <- melt(b,id="C1") ggplot(df) + geom_line(aes(x=C1, y=value, colour=variable),size=2) + xlab("C (SVC regularization)value") + ylab("Accuracy") + ggtitle("Training and test accuracy vs C(regularization)") ## 1.5b – Radial SVM (normalized) – Python The Radial basis kernel is used on normalized data for a range of ‘C’ values and the result is plotted. import numpy as np import pandas as pd import os import matplotlib.pyplot as plt from sklearn.datasets import load_breast_cancer from sklearn.model_selection import train_test_split from sklearn.svm import SVC from sklearn.preprocessing import MinMaxScaler scaler = MinMaxScaler() # Load the cancer data (X_cancer, y_cancer) = load_breast_cancer(return_X_y = True) X_train, X_test, y_train, y_test = train_test_split(X_cancer, y_cancer, random_state = 0) X_train_scaled = scaler.fit_transform(X_train) X_test_scaled = scaler.transform(X_test) print('Breast cancer dataset (normalized with MinMax scaling)') trainingAccuracy=[] testAccuracy=[] for C1 in [.01,.1, 1, 10, 20]: clf = SVC(C=C1).fit(X_train_scaled, y_train) acctrain=clf.score(X_train_scaled, y_train) accTest=clf.score(X_test_scaled, y_test) trainingAccuracy.append(acctrain) testAccuracy.append(accTest) # Create a dataframe C1=[.01,.1, 1, 10, 20] trainingAccuracy=pd.DataFrame(trainingAccuracy,index=C1) testAccuracy=pd.DataFrame(testAccuracy,index=C1) # Plot training and test R squared as a function of alpha df=pd.concat([trainingAccuracy,testAccuracy],axis=1) df.columns=['trainingAccuracy','trainingAccuracy'] fig1=df.plot() fig1=plt.title('Training and test accuracy vs C (SVC)') fig1.figure.savefig('fig1.png', bbox_inches='tight') ## Breast cancer dataset (normalized with MinMax scaling) Output image: ## 1.6a Validation curve – R code Sklearn includes code creating validation curves by varying paramaters and computing and plotting accuracy as gamma or C or changd. I did not find this R but I think this is a useful function and so I have created the R equivalent of this. # The R equivalent of np.logspace seqLogSpace <- function(start,stop,len){ a=seq(log10(10^start),log10(10^stop),length=len) 10^a } # Read the data. This is taken the SKlearn cancer data cancer <- read.csv("cancer.csv") cancer$target <- as.factor(cancer$target) set.seed(6) # Create the range of C1 in log space param_range = seqLogSpace(-3,2,20) # Initialize the overall training and test accuracy to NULL overallTrainAccuracy <- NULL overallTestAccuracy <- NULL # Loop over the parameter range of Gamma for(i in param_range){ # Set no of folds noFolds=5 # Create the rows which fall into different folds from 1..noFolds folds = sample(1:noFolds, nrow(cancer), replace=TRUE) # Initialize the training and test accuracy of folds to 0 trainingAccuracy <- 0 testAccuracy <- 0 # Loop through the folds for(j in 1:noFolds){ # The training is all rows for which the row is != j (k-1 folds -> training) train <- cancer[folds!=j,] # The rows which have j as the index become the test set test <- cancer[folds==j,] # Create a SVM model for this svmfit=svm(target~., data=train, kernel="radial",gamma=i,scale=TRUE) # Add up all the fold accuracy for training and test separately ypredTrain <-predict(svmfit,train) ypredTest=predict(svmfit,test) # Create confusion matrix a <-confusionMatrix(ypredTrain,train$target)
b <-confusionMatrix(ypredTest,test$target) # Get the accuracy trainingAccuracy <-trainingAccuracy + a$overall[1]
testAccuracy <-testAccuracy+b$overall[1] } # Compute the average of accuracy for K folds for number of features 'i' overallTrainAccuracy=c(overallTrainAccuracy,trainingAccuracy/noFolds) overallTestAccuracy=c(overallTestAccuracy,testAccuracy/noFolds) } #Create a dataframe a <- rbind(param_range,as.numeric(overallTrainAccuracy), as.numeric(overallTestAccuracy)) b <- data.frame(t(a)) names(b) <- c("C1","trainingAccuracy","testAccuracy") df <- melt(b,id="C1") #Plot in log axis ggplot(df) + geom_line(aes(x=C1, y=value, colour=variable),size=2) + xlab("C (SVC regularization)value") + ylab("Accuracy") + ggtitle("Training and test accuracy vs C(regularization)") + scale_x_log10() ## 1.6b Validation curve – Python Compute and plot the validation curve as gamma is varied. import numpy as np import pandas as pd import os import matplotlib.pyplot as plt from sklearn.datasets import load_breast_cancer from sklearn.model_selection import train_test_split from sklearn.preprocessing import MinMaxScaler from sklearn.svm import SVC from sklearn.model_selection import validation_curve # Load the cancer data (X_cancer, y_cancer) = load_breast_cancer(return_X_y = True) scaler = MinMaxScaler() X_scaled = scaler.fit_transform(X_cancer) # Create a gamma values from 10^-3 to 10^2 with 20 equally spaced intervals param_range = np.logspace(-3, 2, 20) # Compute the validation curve train_scores, test_scores = validation_curve(SVC(), X_scaled, y_cancer, param_name='gamma', param_range=param_range, cv=10) #Plot the figure fig2=plt.figure() #Compute the mean train_scores_mean = np.mean(train_scores, axis=1) train_scores_std = np.std(train_scores, axis=1) test_scores_mean = np.mean(test_scores, axis=1) test_scores_std = np.std(test_scores, axis=1) fig2=plt.title('Validation Curve with SVM') fig2=plt.xlabel('$\gamma$(gamma)') fig2=plt.ylabel('Score') fig2=plt.ylim(0.0, 1.1) lw = 2 fig2=plt.semilogx(param_range, train_scores_mean, label='Training score', color='darkorange', lw=lw) fig2=plt.fill_between(param_range, train_scores_mean - train_scores_std, train_scores_mean + train_scores_std, alpha=0.2, color='darkorange', lw=lw) fig2=plt.semilogx(param_range, test_scores_mean, label='Cross-validation score', color='navy', lw=lw) fig2=plt.fill_between(param_range, test_scores_mean - test_scores_std, test_scores_mean + test_scores_std, alpha=0.2, color='navy', lw=lw) fig2.figure.savefig('fig2.png', bbox_inches='tight')  Output image: ## 1.7a Validation Curve (Preventing data leakage) – Python code In this course Applied Machine Learning in Python, the Professor states that when we apply the same data transformation to a entire dataset, it will cause a data leakage. “The proper way to do cross-validation when you need to scale the data is not to scale the entire dataset with a single transform, since this will indirectly leak information into the training data about the whole dataset, including the test data (see the lecture on data leakage later in the course). Instead, scaling/normalizing must be computed and applied for each cross-validation fold separately” So I apply separate scaling to the training and testing folds and plot. In the lecture the Prof states that this can be done using pipelines. import numpy as np import pandas as pd import os import matplotlib.pyplot as plt from sklearn.datasets import load_breast_cancer from sklearn.cross_validation import KFold from sklearn.preprocessing import MinMaxScaler from sklearn.svm import SVC # Read the data (X_cancer, y_cancer) = load_breast_cancer(return_X_y = True) # Set the parameter range param_range = np.logspace(-3, 2, 20) # Set number of folds folds=5 #Initialize overallTrainAccuracy=[] overallTestAccuracy=[] # Loop over the paramater range for c in param_range: trainingAccuracy=0 testAccuracy=0 kf = KFold(len(X_cancer),n_folds=folds) # Partition into training and test folds for train_index, test_index in kf: # Partition the data acccording the fold indices generated X_train, X_test = X_cancer[train_index], X_cancer[test_index] y_train, y_test = y_cancer[train_index], y_cancer[test_index] # Scale the X_train and X_test scaler = MinMaxScaler() X_train_scaled = scaler.fit_transform(X_train) X_test_scaled = scaler.transform(X_test) # Fit a SVC model for each C clf = SVC(C=c).fit(X_train_scaled, y_train) #Compute the training and test score acctrain=clf.score(X_train_scaled, y_train) accTest=clf.score(X_test_scaled, y_test) trainingAccuracy += np.sum(acctrain) testAccuracy += np.sum(accTest) # Compute the mean training and testing accuracy overallTrainAccuracy.append(trainingAccuracy/folds) overallTestAccuracy.append(testAccuracy/folds) overallTrainAccuracy=pd.DataFrame(overallTrainAccuracy,index=param_range) overallTestAccuracy=pd.DataFrame(overallTestAccuracy,index=param_range) # Plot training and test R squared as a function of alpha df=pd.concat([overallTrainAccuracy,overallTestAccuracy],axis=1) df.columns=['trainingAccuracy','testAccuracy'] fig3=plt.title('Validation Curve with SVM') fig3=plt.xlabel('$\gamma$(gamma)') fig3=plt.ylabel('Score') fig3=plt.ylim(0.5, 1.1) lw = 2 fig3=plt.semilogx(param_range, overallTrainAccuracy, label='Training score', color='darkorange', lw=lw) fig3=plt.semilogx(param_range, overallTestAccuracy, label='Cross-validation score', color='navy', lw=lw) fig3=plt.legend(loc='best') fig3.figure.savefig('fig3.png', bbox_inches='tight')  Output image: ## 1.8 a Decision trees – R code Decision trees in R can be plotted using RPart package library(rpart) library(rpart.plot) rpart = NULL # Create a decision tree m <-rpart(Species~.,data=iris) #Plot rpart.plot(m,extra=2,main="Decision Tree - IRIS") ## 1.8 b Decision trees – Python code from sklearn.datasets import load_iris from sklearn.tree import DecisionTreeClassifier from sklearn import tree from sklearn.model_selection import train_test_split import graphviz iris = load_iris() X_train, X_test, y_train, y_test = train_test_split(iris.data, iris.target, random_state = 3) clf = DecisionTreeClassifier().fit(X_train, y_train) print('Accuracy of Decision Tree classifier on training set: {:.2f}' .format(clf.score(X_train, y_train))) print('Accuracy of Decision Tree classifier on test set: {:.2f}' .format(clf.score(X_test, y_test))) dot_data = tree.export_graphviz(clf, out_file=None, feature_names=iris.feature_names, class_names=iris.target_names, filled=True, rounded=True, special_characters=True) graph = graphviz.Source(dot_data) graph ## Accuracy of Decision Tree classifier on training set: 1.00 ## Accuracy of Decision Tree classifier on test set: 0.97 ## 1.9a Feature importance – R code I found the following code which had a snippet for feature importance. Sklean has a nice method for this. For some reason the results in R and Python are different. Any thoughts? set.seed(3) # load the library library(mlbench) library(caret) # load the dataset cancer <- read.csv("cancer.csv") cancer$target <- as.factor(cancer$target) # Split as data data <- cancer[,1:31] target <- cancer[,32] # Train the model model <- train(data, target, method="rf", preProcess="scale", trControl=trainControl(method = "cv")) # Compute variable importance importance <- varImp(model) # summarize importance print(importance) # plot importance plot(importance) ## 1.9b Feature importance – Python code import numpy as np import pandas as pd import os import matplotlib.pyplot as plt from sklearn.tree import DecisionTreeClassifier from sklearn.model_selection import train_test_split from sklearn.datasets import load_breast_cancer import numpy as np # Read the data cancer= load_breast_cancer() (X_cancer, y_cancer) = load_breast_cancer(return_X_y = True) X_train, X_test, y_train, y_test = train_test_split(X_cancer, y_cancer, random_state = 0) # Use the DecisionTreClassifier clf = DecisionTreeClassifier(max_depth = 4, min_samples_leaf = 8, random_state = 0).fit(X_train, y_train) c_features=len(cancer.feature_names) print('Breast cancer dataset: decision tree') print('Accuracy of DT classifier on training set: {:.2f}' .format(clf.score(X_train, y_train))) print('Accuracy of DT classifier on test set: {:.2f}' .format(clf.score(X_test, y_test))) # Plot the feature importances fig4=plt.figure(figsize=(10,6),dpi=80) fig4=plt.barh(range(c_features), clf.feature_importances_) fig4=plt.xlabel("Feature importance") fig4=plt.ylabel("Feature name") fig4=plt.yticks(np.arange(c_features), cancer.feature_names) fig4=plt.tight_layout() plt.savefig('fig4.png', bbox_inches='tight')  ## Breast cancer dataset: decision tree ## Accuracy of DT classifier on training set: 0.96 ## Accuracy of DT classifier on test set: 0.94 Output image: ## 1.10a Precision-Recall, ROC curves & AUC- R code I tried several R packages for plotting the Precision and Recall and AUC curve. PRROC seems to work well. The Precision-Recall curves show the tradeoff between precision and recall. The higher the precision, the lower the recall and vice versa.AUC curves that hug the top left corner indicate a high sensitivity,specificity and an excellent accuracy. source("RFunctions-1.R") library(dplyr) library(caret) library(e1071) library(PRROC) # Read the data (this data is from sklearn!) d <- read.csv("digits.csv") digits <- d[2:66] digits$X64 <- as.factor(digits$X64) # Split as training and test sets train_idx <- trainTestSplit(digits,trainPercent=75,seed=5) train <- digits[train_idx, ] test <- digits[-train_idx, ] # Fit a SVM model with linear basis kernel with probabilities svmfit=svm(X64~., data=train, kernel="linear",scale=FALSE,probability=TRUE) ypred=predict(svmfit,test,probability=TRUE) head(attr(ypred,"probabilities")) ## 0 1 ## 6 7.395947e-01 2.604053e-01 ## 8 9.999998e-01 1.842555e-07 ## 12 1.655178e-05 9.999834e-01 ## 13 9.649997e-01 3.500032e-02 ## 15 9.994849e-01 5.150612e-04 ## 16 9.999987e-01 1.280700e-06 # Store the probability of 0s and 1s m0<-attr(ypred,"probabilities")[,1] m1<-attr(ypred,"probabilities")[,2] # Create a dataframe of scores scores <- data.frame(m1,test$X64)

# Class 0 is data points of +ve class (in this case, digit 1) and -ve class (digit 0)
#Compute Precision Recall
pr <- pr.curve(scores.class0=scores[scores$test.X64=="1",]$m1,
scores.class1=scores[scores$test.X64=="0",]$m1,
curve=T)

# Plot precision-recall curve
plot(pr)

#Plot the ROC curve
roc<-roc.curve(m0, m1,curve=TRUE)
plot(roc)

## 1.10b Precision-Recall, ROC curves & AUC- Python code

For Python Logistic Regression is used to plot Precision Recall, ROC curve and compute AUC

import numpy as np
import pandas as pd
import matplotlib.pyplot as plt
from sklearn.model_selection import train_test_split
from sklearn.linear_model import LogisticRegression
from sklearn.datasets import load_digits
from sklearn.metrics import precision_recall_curve
from sklearn.metrics import roc_curve, auc
#Load the digits
dataset = load_digits()
X, y = dataset.data, dataset.target
#Create 2 classes -i) Digit 1 (from digit 1) ii) Digit 0 (from all other digits)
# Make a copy of the target
z= y.copy()
# Replace all non 1's as 0
z[z != 1] = 0

X_train, X_test, y_train, y_test = train_test_split(X, z, random_state=0)
# Fit a LR model
lr = LogisticRegression().fit(X_train, y_train)

#Compute the decision scores
y_scores_lr = lr.fit(X_train, y_train).decision_function(X_test)
y_score_list = list(zip(y_test[0:20], y_scores_lr[0:20]))

#Show the decision_function scores for first 20 instances
y_score_list

precision, recall, thresholds = precision_recall_curve(y_test, y_scores_lr)
closest_zero = np.argmin(np.abs(thresholds))
closest_zero_p = precision[closest_zero]
closest_zero_r = recall[closest_zero]
#Plot
plt.figure()
plt.xlim([0.0, 1.01])
plt.ylim([0.0, 1.01])
plt.plot(precision, recall, label='Precision-Recall Curve')
plt.plot(closest_zero_p, closest_zero_r, 'o', markersize = 12, fillstyle = 'none', c='r', mew=3)
plt.xlabel('Precision', fontsize=16)
plt.ylabel('Recall', fontsize=16)
plt.axes().set_aspect('equal')
plt.savefig('fig5.png', bbox_inches='tight')

#Compute and plot the ROC
y_score_lr = lr.fit(X_train, y_train).decision_function(X_test)
fpr_lr, tpr_lr, _ = roc_curve(y_test, y_score_lr)
roc_auc_lr = auc(fpr_lr, tpr_lr)

plt.figure()
plt.xlim([-0.01, 1.00])
plt.ylim([-0.01, 1.01])
plt.plot(fpr_lr, tpr_lr, lw=3, label='LogRegr ROC curve (area = {:0.2f})'.format(roc_auc_lr))
plt.xlabel('False Positive Rate', fontsize=16)
plt.ylabel('True Positive Rate', fontsize=16)
plt.title('ROC curve (1-of-10 digits classifier)', fontsize=16)
plt.legend(loc='lower right', fontsize=13)
plt.plot([0, 1], [0, 1], color='navy', lw=3, linestyle='--')
plt.axes()
plt.savefig('fig6.png', bbox_inches='tight')


output

## 1.10c Precision-Recall, ROC curves & AUC- Python code

In the code below classification probabilities are used to compute and plot precision-recall, roc and AUC

import numpy as np
import pandas as pd
import matplotlib.pyplot as plt
from sklearn.model_selection import train_test_split
from sklearn.datasets import load_digits
from sklearn.svm import LinearSVC
from sklearn.calibration import CalibratedClassifierCV

dataset = load_digits()
X, y = dataset.data, dataset.target
# Make a copy of the target
z= y.copy()
# Replace all non 1's as 0
z[z != 1] = 0

X_train, X_test, y_train, y_test = train_test_split(X, z, random_state=0)
svm = LinearSVC()
# Need to use CalibratedClassifierSVC to redict probabilities for lInearSVC
clf = CalibratedClassifierCV(svm)
clf.fit(X_train, y_train)
y_proba_lr = clf.predict_proba(X_test)
from sklearn.metrics import precision_recall_curve

precision, recall, thresholds = precision_recall_curve(y_test, y_proba_lr[:,1])
closest_zero = np.argmin(np.abs(thresholds))
closest_zero_p = precision[closest_zero]
closest_zero_r = recall[closest_zero]
#plt.figure(figsize=(15,15),dpi=80)
plt.figure()
plt.xlim([0.0, 1.01])
plt.ylim([0.0, 1.01])
plt.plot(precision, recall, label='Precision-Recall Curve')
plt.plot(closest_zero_p, closest_zero_r, 'o', markersize = 12, fillstyle = 'none', c='r', mew=3)
plt.xlabel('Precision', fontsize=16)
plt.ylabel('Recall', fontsize=16)
plt.axes().set_aspect('equal')
plt.savefig('fig7.png', bbox_inches='tight')

# Practical Machine Learning with R and Python – Part 3

In this post ‘Practical Machine Learning with R and Python – Part 3’,  I discuss ‘Feature Selection’ methods. This post is a continuation of my 2 earlier posts

While applying Machine Learning techniques, the data set will usually include a large number of predictors for a target variable. It is quite likely, that not all the predictors or feature variables will have an impact on the output. Hence it is becomes necessary to choose only those features which influence the output variable thus simplifying  to a reduced feature set on which to train the ML model on. The techniques that are used are the following

• Best fit
• Forward fit
• Backward fit
• Ridge Regression or L2 regularization
• Lasso or L1 regularization

This post includes the equivalent ML code in R and Python.

All these methods remove those features which do not sufficiently influence the output. As in my previous 2 posts on “Practical Machine Learning with R and Python’, this post is largely based on the topics in the following 2 MOOC courses
1. Statistical Learning, Prof Trevor Hastie & Prof Robert Tibesherani, Online Stanford
2. Applied Machine Learning in Python Prof Kevyn-Collin Thomson, University Of Michigan, Coursera

You can download this R Markdown file and the associated data from Github – Machine Learning-RandPython-Part3.

Note: Please listen to my video presentations Machine Learning in youtube
1. Machine Learning in plain English-Part 1
2. Machine Learning in plain English-Part 2
3. Machine Learning in plain English-Part 3

Check out my compact and minimal book  “Practical Machine Learning with R and Python:Third edition- Machine Learning in stereo”  available in Amazon in paperback($12.99) and kindle($8.99) versions. My book includes implementations of key ML algorithms and associated measures and metrics. The book is ideal for anybody who is familiar with the concepts and would like a quick reference to the different ML algorithms that can be applied to problems and how to select the best model. Pick your copy today!!

1.1 Best Fit

For a dataset with features f1,f2,f3…fn, the ‘Best fit’ approach, chooses all possible combinations of features and creates separate ML models for each of the different combinations. The best fit algotithm then uses some filtering criteria based on Adj Rsquared, Cp, BIC or AIC to pick out the best model among all models.

Since the Best Fit approach searches the entire solution space it is computationally infeasible. The number of models that have to be searched increase exponentially as the number of predictors increase. For ‘p’ predictors a total of $2^{p}$ ML models have to be searched. This can be shown as follows

There are $C_{1}$ ways to choose single feature ML models among ‘n’ features, $C_{2}$ ways to choose 2 feature models among ‘n’ models and so on, or
$1+C_{1} + C_{2} +... + C_{n}$
= Total number of models in Best Fit.  Since from Binomial theorem we have
$(1+x)^{n} = 1+C_{1}x + C_{2}x^{2} +... + C_{n}x^{n}$
When x=1 in the equation (1) above, this becomes
$2^{n} = 1+C_{1} + C_{2} +... + C_{n}$

Hence there are $2^{n}$ models to search amongst in Best Fit. For 10 features this is $2^{10}$ or ~1000 models and for 40 features this becomes $2^{40}$ which almost 1 trillion. Usually there are datasets with 1000 or maybe even 100000 features and Best fit becomes computationally infeasible.

Anyways I have included the Best Fit approach as I use the Boston crime datasets which is available both the MASS package in R and Sklearn in Python and it has 13 features. Even this small feature set takes a bit of time since the Best fit needs to search among ~$2^{13}= 8192$  models

Initially I perform a simple Linear Regression Fit to estimate the features that are statistically insignificant. By looking at the p-values of the features it can be seen that ‘indus’ and ‘age’ features have high p-values and are not significant

# 1.1a Linear Regression – R code

source('RFunctions-1.R')
#Read the Boston crime data
df=read.csv("Boston.csv",stringsAsFactors = FALSE) # Data from MASS - SL
# Rename the columns
names(df) <-c("no","crimeRate","zone","indus","charles","nox","rooms","age",
"distances","highways","tax","teacherRatio","color","status","cost")
# Select specific columns
df1 <- df %>% dplyr::select("crimeRate","zone","indus","charles","nox","rooms","age",
"distances","highways","tax","teacherRatio","color","status","cost")
dim(df1)
## [1] 506  14
# Linear Regression fit
fit <- lm(cost~. ,data=df1)
summary(fit)
##
## Call:
## lm(formula = cost ~ ., data = df1)
##
## Residuals:
##     Min      1Q  Median      3Q     Max
## -15.595  -2.730  -0.518   1.777  26.199
##
## Coefficients:
##                Estimate Std. Error t value Pr(>|t|)
## (Intercept)   3.646e+01  5.103e+00   7.144 3.28e-12 ***
## crimeRate    -1.080e-01  3.286e-02  -3.287 0.001087 **
## zone          4.642e-02  1.373e-02   3.382 0.000778 ***
## indus         2.056e-02  6.150e-02   0.334 0.738288
## charles       2.687e+00  8.616e-01   3.118 0.001925 **
## nox          -1.777e+01  3.820e+00  -4.651 4.25e-06 ***
## rooms         3.810e+00  4.179e-01   9.116  < 2e-16 ***
## age           6.922e-04  1.321e-02   0.052 0.958229
## distances    -1.476e+00  1.995e-01  -7.398 6.01e-13 ***
## highways      3.060e-01  6.635e-02   4.613 5.07e-06 ***
## tax          -1.233e-02  3.760e-03  -3.280 0.001112 **
## teacherRatio -9.527e-01  1.308e-01  -7.283 1.31e-12 ***
## color         9.312e-03  2.686e-03   3.467 0.000573 ***
## status       -5.248e-01  5.072e-02 -10.347  < 2e-16 ***
## ---
## Signif. codes:  0 '***' 0.001 '**' 0.01 '*' 0.05 '.' 0.1 ' ' 1
##
## Residual standard error: 4.745 on 492 degrees of freedom
## Multiple R-squared:  0.7406, Adjusted R-squared:  0.7338
## F-statistic: 108.1 on 13 and 492 DF,  p-value: < 2.2e-16

Next we apply the different feature selection models to automatically remove features that are not significant below

# 1.1a Best Fit – R code

The Best Fit requires the ‘leaps’ R package

library(leaps)
source('RFunctions-1.R')
#Read the Boston crime data
df=read.csv("Boston.csv",stringsAsFactors = FALSE) # Data from MASS - SL
# Rename the columns
names(df) <-c("no","crimeRate","zone","indus","charles","nox","rooms","age",
"distances","highways","tax","teacherRatio","color","status","cost")
# Select specific columns
df1 <- df %>% dplyr::select("crimeRate","zone","indus","charles","nox","rooms","age",
"distances","highways","tax","teacherRatio","color","status","cost")

# Perform a best fit
bestFit=regsubsets(cost~.,df1,nvmax=13)

# Generate a summary of the fit
bfSummary=summary(bestFit)

# Plot the Residual Sum of Squares vs number of variables
plot(bfSummary$rss,xlab="Number of Variables",ylab="RSS",type="l",main="Best fit RSS vs No of features") # Get the index of the minimum value a=which.min(bfSummary$rss)
# Mark this in red
points(a,bfSummary$rss[a],col="red",cex=2,pch=20) The plot below shows that the Best fit occurs with all 13 features included. Notice that there is no significant change in RSS from 11 features onward. # Plot the CP statistic vs Number of variables plot(bfSummary$cp,xlab="Number of Variables",ylab="Cp",type='l',main="Best fit Cp vs No of features")
# Find the lowest CP value
b=which.min(bfSummary$cp) # Mark this in red points(b,bfSummary$cp[b],col="red",cex=2,pch=20)

Based on Cp metric the best fit occurs at 11 features as seen below. The values of the coefficients are also included below

# Display the set of features which provide the best fit
coef(bestFit,b)
##   (Intercept)     crimeRate          zone       charles           nox
##  36.341145004  -0.108413345   0.045844929   2.718716303 -17.376023429
##         rooms     distances      highways           tax  teacherRatio
##   3.801578840  -1.492711460   0.299608454  -0.011777973  -0.946524570
##         color        status
##   0.009290845  -0.522553457
#  Plot the BIC value
plot(bfSummary$bic,xlab="Number of Variables",ylab="BIC",type='l',main="Best fit BIC vs No of Features") # Find and mark the min value c=which.min(bfSummary$bic)
points(c,bfSummary$bic[c],col="red",cex=2,pch=20) # R has some other good plots for best fit plot(bestFit,scale="r2",main="Rsquared vs No Features") R has the following set of really nice visualizations. The plot below shows the Rsquared for a set of predictor variables. It can be seen when Rsquared starts at 0.74- indus, charles and age have not been included. plot(bestFit,scale="Cp",main="Cp vs NoFeatures") The Cp plot below for value shows indus, charles and age as not included in the Best fit plot(bestFit,scale="bic",main="BIC vs Features") ## 1.1b Best fit (Exhaustive Search ) – Python code The Python package for performing a Best Fit is the Exhaustive Feature Selector EFS. import numpy as np import pandas as pd import os import matplotlib.pyplot as plt from sklearn.model_selection import train_test_split from sklearn.linear_model import LinearRegression from mlxtend.feature_selection import ExhaustiveFeatureSelector as EFS # Read the Boston crime data df = pd.read_csv("Boston.csv",encoding = "ISO-8859-1") #Rename the columns df.columns=["no","crimeRate","zone","indus","chasRiver","NO2","rooms","age", "distances","idxHighways","taxRate","teacherRatio","color","status","cost"] # Set X and y X=df[["crimeRate","zone","indus","chasRiver","NO2","rooms","age", "distances","idxHighways","taxRate","teacherRatio","color","status"]] y=df['cost'] # Perform an Exhaustive Search. The EFS and SFS packages use 'neg_mean_squared_error'. The 'mean_squared_error' seems to have been deprecated. I think this is just the MSE with the a negative sign. lr = LinearRegression() efs1 = EFS(lr, min_features=1, max_features=13, scoring='neg_mean_squared_error', print_progress=True, cv=5) # Create a efs fit efs1 = efs1.fit(X.as_matrix(), y.as_matrix()) print('Best negtive mean squared error: %.2f' % efs1.best_score_) ## Print the IDX of the best features print('Best subset:', efs1.best_idx_)  Features: 8191/8191Best negtive mean squared error: -28.92 ## ('Best subset:', (0, 1, 4, 6, 7, 8, 9, 10, 11, 12)) The indices for the best subset are shown above. # 1.2 Forward fit Forward fit is a greedy algorithm that tries to optimize the feature selected, by minimizing the selection criteria (adj Rsqaured, Cp, AIC or BIC) at every step. For a dataset with features f1,f2,f3…fn, the forward fit starts with the NULL set. It then pick the ML model with a single feature from n features which has the highest adj Rsquared, or minimum Cp, BIC or some such criteria. After picking the 1 feature from n which satisfies the criteria the most, the next feature from the remaining n-1 features is chosen. When the 2 feature model which satisfies the selection criteria the best is chosen, another feature from the remaining n-2 features are added and so on. The forward fit is a sub-optimal algorithm. There is no guarantee that the final list of features chosen will be the best among the lot. The computation required for this is of $n + n-1 + n -2 + .. 1 = n(n+1)/2$ which is of the order of $n^{2}$. Though forward fit is a sub optimal solution it is far more computationally efficient than best fit ## 1.2a Forward fit – R code Forward fit in R determines that 11 features are required for the best fit. The features are shown below library(leaps) # Read the data df=read.csv("Boston.csv",stringsAsFactors = FALSE) # Data from MASS - SL # Rename the columns names(df) <-c("no","crimeRate","zone","indus","charles","nox","rooms","age", "distances","highways","tax","teacherRatio","color","status","cost") # Select columns df1 <- df %>% dplyr::select("crimeRate","zone","indus","charles","nox","rooms","age", "distances","highways","tax","teacherRatio","color","status","cost") #Split as training and test train_idx <- trainTestSplit(df1,trainPercent=75,seed=5) train <- df1[train_idx, ] test <- df1[-train_idx, ] # Find the best forward fit fitFwd=regsubsets(cost~.,data=train,nvmax=13,method="forward") # Compute the MSE valErrors=rep(NA,13) test.mat=model.matrix(cost~.,data=test) for(i in 1:13){ coefi=coef(fitFwd,id=i) pred=test.mat[,names(coefi)]%*%coefi valErrors[i]=mean((test$cost-pred)^2)
}

# Plot the Residual Sum of Squares
plot(valErrors,xlab="Number of Variables",ylab="Validation Error",type="l",main="Forward fit RSS vs No of features")
# Gives the index of the minimum value
a<-which.min(valErrors)
print(a)
## [1] 11
# Highlight the smallest value
points(c,valErrors[a],col="blue",cex=2,pch=20)

Forward fit R selects 11 predictors as the best ML model to predict the ‘cost’ output variable. The values for these 11 predictors are included below

#Print the 11 ccoefficients
coefi=coef(fitFwd,id=i)
coefi
##   (Intercept)     crimeRate          zone         indus       charles
##  2.397179e+01 -1.026463e-01  3.118923e-02  1.154235e-04  3.512922e+00
##           nox         rooms           age     distances      highways
## -1.511123e+01  4.945078e+00 -1.513220e-02 -1.307017e+00  2.712534e-01
##           tax  teacherRatio         color        status
## -1.330709e-02 -8.182683e-01  1.143835e-02 -3.750928e-01

## 1.2b Forward fit with Cross Validation – R code

The Python package SFS includes N Fold Cross Validation errors for forward and backward fit so I decided to add this code to R. This is not available in the ‘leaps’ R package, however the implementation is quite simple. Another implementation is also available at Statistical Learning, Prof Trevor Hastie & Prof Robert Tibesherani, Online Stanford 2.

library(dplyr)
df=read.csv("Boston.csv",stringsAsFactors = FALSE) # Data from MASS - SL
names(df) <-c("no","crimeRate","zone","indus","charles","nox","rooms","age",
"distances","highways","tax","teacherRatio","color","status","cost")

# Select columns
df1 <- df %>% dplyr::select("crimeRate","zone","indus","charles","nox","rooms","age",
"distances","highways","tax","teacherRatio","color","status","cost")

set.seed(6)
# Set max number of features
nvmax<-13
cvError <- NULL
# Loop through each features
for(i in 1:nvmax){
# Set no of folds
noFolds=5
# Create the rows which fall into different folds from 1..noFolds
folds = sample(1:noFolds, nrow(df1), replace=TRUE)
cv<-0
# Loop through the folds
for(j in 1:noFolds){
# The training is all rows for which the row is != j (k-1 folds -> training)
train <- df1[folds!=j,]
# The rows which have j as the index become the test set
test <- df1[folds==j,]
# Create a forward fitting model for this
fitFwd=regsubsets(cost~.,data=train,nvmax=13,method="forward")
# Select the number of features and get the feature coefficients
coefi=coef(fitFwd,id=i)
#Get the value of the test data
test.mat=model.matrix(cost~.,data=test)
# Multiply the tes data with teh fitted coefficients to get the predicted value
# pred = b0 + b1x1+b2x2... b13x13
pred=test.mat[,names(coefi)]%*%coefi
# Compute mean squared error
rss=mean((test$cost - pred)^2) # Add all the Cross Validation errors cv=cv+rss } # Compute the average of MSE for K folds for number of features 'i' cvError[i]=cv/noFolds } a <- seq(1,13) d <- as.data.frame(t(rbind(a,cvError))) names(d) <- c("Features","CVError") #Plot the CV Error vs No of Features ggplot(d,aes(x=Features,y=CVError),color="blue") + geom_point() + geom_line(color="blue") + xlab("No of features") + ylab("Cross Validation Error") + ggtitle("Forward Selection - Cross Valdation Error vs No of Features") Forward fit with 5 fold cross validation indicates that all 13 features are required # This gives the index of the minimum value a=which.min(cvError) print(a) ## [1] 13 #Print the 13 coefficients of these features coefi=coef(fitFwd,id=a) coefi ## (Intercept) crimeRate zone indus charles ## 36.650645380 -0.107980979 0.056237669 0.027016678 4.270631466 ## nox rooms age distances highways ## -19.000715500 3.714720418 0.019952654 -1.472533973 0.326758004 ## tax teacherRatio color status ## -0.011380750 -0.972862622 0.009549938 -0.582159093 ## 1.2c Forward fit – Python code The Backward Fit in Python uses the Sequential feature selection (SFS) package (SFS)(https://rasbt.github.io/mlxtend/user_guide/feature_selection/SequentialFeatureSelector/) Note: The Cross validation error for SFS in Sklearn is negative, possibly because it computes the ‘neg_mean_squared_error’. The earlier ‘mean_squared_error’ in the package seems to have been deprecated. I have taken the -ve of this neg_mean_squared_error. I think this would give mean_squared_error. import numpy as np import pandas as pd import os import matplotlib.pyplot as plt from sklearn.model_selection import train_test_split from sklearn.linear_model import LinearRegression from sklearn.datasets import load_boston from mlxtend.plotting import plot_sequential_feature_selection as plot_sfs import matplotlib.pyplot as plt from mlxtend.feature_selection import SequentialFeatureSelector as SFS from sklearn.linear_model import LinearRegression df = pd.read_csv("Boston.csv",encoding = "ISO-8859-1") #Rename the columns df.columns=["no","crimeRate","zone","indus","chasRiver","NO2","rooms","age", "distances","idxHighways","taxRate","teacherRatio","color","status","cost"] X=df[["crimeRate","zone","indus","chasRiver","NO2","rooms","age", "distances","idxHighways","taxRate","teacherRatio","color","status"]] y=df['cost'] lr = LinearRegression() # Create a forward fit model sfs = SFS(lr, k_features=(1,13), forward=True, # Forward fit floating=False, scoring='neg_mean_squared_error', cv=5) # Fit this on the data sfs = sfs.fit(X.as_matrix(), y.as_matrix()) # Get all the details of the forward fits a=sfs.get_metric_dict() n=[] o=[] # Compute the mean cross validation scores for i in np.arange(1,13): n.append(-np.mean(a[i]['cv_scores'])) m=np.arange(1,13) # Get the index of the minimum CV score # Plot the CV scores vs the number of features fig1=plt.plot(m,n) fig1=plt.title('Mean CV Scores vs No of features') fig1.figure.savefig('fig1.png', bbox_inches='tight') print(pd.DataFrame.from_dict(sfs.get_metric_dict(confidence_interval=0.90)).T) idx = np.argmin(n) print "No of features=",idx #Get the features indices for the best forward fit and convert to list b=list(a[idx]['feature_idx']) print(b) # Index the column names. # Features from forward fit print("Features selected in forward fit") print(X.columns[b]) ## avg_score ci_bound cv_scores \ ## 1 -42.6185 19.0465 [-23.5582499971, -41.8215743748, -73.993608929... ## 2 -36.0651 16.3184 [-18.002498199, -40.1507894517, -56.5286659068... ## 3 -34.1001 20.87 [-9.43012884381, -25.9584955394, -36.184188174... ## 4 -33.7681 20.1638 [-8.86076528781, -28.650217633, -35.7246353855... ## 5 -33.6392 20.5271 [-8.90807628524, -28.0684679108, -35.827463022... ## 6 -33.6276 19.0859 [-9.549485942, -30.9724602876, -32.6689523347,... ## 7 -32.4082 19.1455 [-10.0177149635, -28.3780298492, -30.926917231... ## 8 -32.3697 18.533 [-11.1431684243, -27.5765510172, -31.168994094... ## 9 -32.4016 21.5561 [-10.8972555995, -25.739780653, -30.1837430353... ## 10 -32.8504 22.6508 [-12.3909282079, -22.1533250755, -33.385407342... ## 11 -34.1065 24.7019 [-12.6429253721, -22.1676650245, -33.956999528... ## 12 -35.5814 25.693 [-12.7303397453, -25.0145323483, -34.211898373... ## 13 -37.1318 23.2657 [-12.4603005692, -26.0486211062, -33.074137979... ## ## feature_idx std_dev std_err ## 1 (12,) 18.9042 9.45212 ## 2 (10, 12) 16.1965 8.09826 ## 3 (10, 12, 5) 20.7142 10.3571 ## 4 (10, 3, 12, 5) 20.0132 10.0066 ## 5 (0, 10, 3, 12, 5) 20.3738 10.1869 ## 6 (0, 3, 5, 7, 10, 12) 18.9433 9.47167 ## 7 (0, 2, 3, 5, 7, 10, 12) 19.0026 9.50128 ## 8 (0, 1, 2, 3, 5, 7, 10, 12) 18.3946 9.19731 ## 9 (0, 1, 2, 3, 5, 7, 10, 11, 12) 21.3952 10.6976 ## 10 (0, 1, 2, 3, 4, 5, 7, 10, 11, 12) 22.4816 11.2408 ## 11 (0, 1, 2, 3, 4, 5, 6, 7, 10, 11, 12) 24.5175 12.2587 ## 12 (0, 1, 2, 3, 4, 5, 6, 7, 9, 10, 11, 12) 25.5012 12.7506 ## 13 (0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12) 23.0919 11.546 ## No of features= 7 ## [0, 2, 3, 5, 7, 10, 12] ## ################################################################################# ## Features selected in forward fit ## Index([u'crimeRate', u'indus', u'chasRiver', u'rooms', u'distances', ## u'teacherRatio', u'status'], ## dtype='object') ## 1.3 Backward Fit Backward fit belongs to the class of greedy algorithms which tries to optimize the feature set, by dropping a feature at every stage which results in the worst performance for a given criteria of Adj RSquared, Cp, BIC or AIC. For a dataset with features f1,f2,f3…fn, the backward fit starts with the all the features f1,f2.. fn to begin with. It then pick the ML model with a n-1 features by dropping the feature,$f_{j}$, for e.g., the inclusion of which results in the worst performance in adj Rsquared, or minimum Cp, BIC or some such criteria. At every step 1 feature is dopped. There is no guarantee that the final list of features chosen will be the best among the lot. The computation required for this is of $n + n-1 + n -2 + .. 1 = n(n+1)/2$ which is of the order of $n^{2}$. Though backward fit is a sub optimal solution it is far more computationally efficient than best fit ## 1.3a Backward fit – R code library(dplyr) # Read the data df=read.csv("Boston.csv",stringsAsFactors = FALSE) # Data from MASS - SL # Rename the columns names(df) <-c("no","crimeRate","zone","indus","charles","nox","rooms","age", "distances","highways","tax","teacherRatio","color","status","cost") # Select columns df1 <- df %>% dplyr::select("crimeRate","zone","indus","charles","nox","rooms","age", "distances","highways","tax","teacherRatio","color","status","cost") set.seed(6) # Set max number of features nvmax<-13 cvError <- NULL # Loop through each features for(i in 1:nvmax){ # Set no of folds noFolds=5 # Create the rows which fall into different folds from 1..noFolds folds = sample(1:noFolds, nrow(df1), replace=TRUE) cv<-0 for(j in 1:noFolds){ # The training is all rows for which the row is != j train <- df1[folds!=j,] # The rows which have j as the index become the test set test <- df1[folds==j,] # Create a backward fitting model for this fitFwd=regsubsets(cost~.,data=train,nvmax=13,method="backward") # Select the number of features and get the feature coefficients coefi=coef(fitFwd,id=i) #Get the value of the test data test.mat=model.matrix(cost~.,data=test) # Multiply the tes data with teh fitted coefficients to get the predicted value # pred = b0 + b1x1+b2x2... b13x13 pred=test.mat[,names(coefi)]%*%coefi # Compute mean squared error rss=mean((test$cost - pred)^2)
# Add the Residual sum of square
cv=cv+rss
}
# Compute the average of MSE for K folds for number of features 'i'
cvError[i]=cv/noFolds
}
a <- seq(1,13)
d <- as.data.frame(t(rbind(a,cvError)))
names(d) <- c("Features","CVError")
# Plot the Cross Validation Error vs Number of features
ggplot(d,aes(x=Features,y=CVError),color="blue") + geom_point() + geom_line(color="blue") +
xlab("No of features") + ylab("Cross Validation Error") +
ggtitle("Backward Selection - Cross Valdation Error vs No of Features")

# This gives the index of the minimum value
a=which.min(cvError)
print(a)
## [1] 13
#Print the 13 coefficients of these features
coefi=coef(fitFwd,id=a)
coefi
##   (Intercept)     crimeRate          zone         indus       charles
##  36.650645380  -0.107980979   0.056237669   0.027016678   4.270631466
##           nox         rooms           age     distances      highways
## -19.000715500   3.714720418   0.019952654  -1.472533973   0.326758004
##           tax  teacherRatio         color        status
##  -0.011380750  -0.972862622   0.009549938  -0.582159093

Backward selection in R also indicates the 13 features and the corresponding coefficients as providing the best fit

## 1.3b Backward fit – Python code

The Backward Fit in Python uses the Sequential feature selection (SFS) package (SFS)(https://rasbt.github.io/mlxtend/user_guide/feature_selection/SequentialFeatureSelector/)

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.model_selection import train_test_split
from sklearn.linear_model import LinearRegression
from mlxtend.plotting import plot_sequential_feature_selection as plot_sfs
import matplotlib.pyplot as plt
from mlxtend.feature_selection import SequentialFeatureSelector as SFS
from sklearn.linear_model import LinearRegression

# Read the data
df = pd.read_csv("Boston.csv",encoding = "ISO-8859-1")
#Rename the columns
df.columns=["no","crimeRate","zone","indus","chasRiver","NO2","rooms","age",
"distances","idxHighways","taxRate","teacherRatio","color","status","cost"]
X=df[["crimeRate","zone","indus","chasRiver","NO2","rooms","age",
"distances","idxHighways","taxRate","teacherRatio","color","status"]]
y=df['cost']
lr = LinearRegression()

# Create the SFS model
sfs = SFS(lr,
k_features=(1,13),
forward=False, # Backward
floating=False,
scoring='neg_mean_squared_error',
cv=5)

# Fit the model
sfs = sfs.fit(X.as_matrix(), y.as_matrix())
a=sfs.get_metric_dict()
n=[]
o=[]

# Compute the mean of the validation scores
for i in np.arange(1,13):
n.append(-np.mean(a[i]['cv_scores']))
m=np.arange(1,13)

# Plot the Validation scores vs number of features
fig2=plt.plot(m,n)
fig2=plt.title('Mean CV Scores vs No of features')
fig2.figure.savefig('fig2.png', bbox_inches='tight')

print(pd.DataFrame.from_dict(sfs.get_metric_dict(confidence_interval=0.90)).T)

# Get the index of minimum cross validation error
idx = np.argmin(n)
print "No of features=",idx
#Get the features indices for the best forward fit and convert to list
b=list(a[idx]['feature_idx'])
# Index the column names.
# Features from backward fit
print("Features selected in bacward fit")
print(X.columns[b])

##    avg_score ci_bound                                          cv_scores  \
## 1   -42.6185  19.0465  [-23.5582499971, -41.8215743748, -73.993608929...
## 2   -36.0651  16.3184  [-18.002498199, -40.1507894517, -56.5286659068...
## 3   -35.4992  13.9619  [-17.2329292677, -44.4178648308, -51.633177846...
## 4    -33.463  12.4081  [-20.6415333292, -37.3247852146, -47.479302977...
## 5   -33.1038  10.6156  [-20.2872309863, -34.6367078466, -45.931870352...
## 6   -32.0638  10.0933  [-19.4463829372, -33.460638577, -42.726257249,...
## 7   -30.7133  9.23881  [-19.4425181917, -31.1742902259, -40.531266671...
## 8   -29.7432  9.84468  [-19.445277268, -30.0641187173, -40.2561247122...
## 9   -29.0878  9.45027  [-19.3545569877, -30.094768669, -39.7506036377...
## 10  -28.9225  9.39697  [-18.562171585, -29.968504938, -39.9586835965,...
## 11  -29.4301  10.8831  [-18.3346152225, -30.3312847532, -45.065432793...
## 12  -30.4589  11.1486  [-18.493389527, -35.0290639374, -45.1558231765...
## 13  -37.1318  23.2657  [-12.4603005692, -26.0486211062, -33.074137979...
##
##                                    feature_idx  std_dev  std_err
## 1                                        (12,)  18.9042  9.45212
## 2                                     (10, 12)  16.1965  8.09826
## 3                                  (10, 12, 7)  13.8576  6.92881
## 4                               (12, 10, 4, 7)  12.3154  6.15772
## 5                            (4, 7, 8, 10, 12)  10.5363  5.26816
## 6                         (4, 7, 8, 9, 10, 12)  10.0179  5.00896
## 7                      (1, 4, 7, 8, 9, 10, 12)  9.16981  4.58491
## 8                  (1, 4, 7, 8, 9, 10, 11, 12)  9.77116  4.88558
## 9               (0, 1, 4, 7, 8, 9, 10, 11, 12)  9.37969  4.68985
## 10           (0, 1, 4, 6, 7, 8, 9, 10, 11, 12)   9.3268   4.6634
## 11        (0, 1, 3, 4, 6, 7, 8, 9, 10, 11, 12)  10.8018  5.40092
## 12     (0, 1, 2, 3, 4, 6, 7, 8, 9, 10, 11, 12)  11.0653  5.53265
## 13  (0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12)  23.0919   11.546
## No of features= 9
## Features selected in bacward fit
## Index([u'crimeRate', u'zone', u'NO2', u'distances', u'idxHighways', u'taxRate',
##        u'teacherRatio', u'color', u'status'],
##       dtype='object')

## 1.3c Sequential Floating Forward Selection (SFFS) – Python code

The Sequential Feature search also includes ‘floating’ variants which include or exclude features conditionally, once they were excluded or included. The SFFS can conditionally include features which were excluded from the previous step, if it results in a better fit. This option will tend to a better solution, than plain simple SFS. These variants are included below

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.model_selection import train_test_split
from sklearn.linear_model import LinearRegression
from sklearn.datasets import load_boston
from mlxtend.plotting import plot_sequential_feature_selection as plot_sfs
import matplotlib.pyplot as plt
from mlxtend.feature_selection import SequentialFeatureSelector as SFS
from sklearn.linear_model import LinearRegression

df = pd.read_csv("Boston.csv",encoding = "ISO-8859-1")
#Rename the columns
df.columns=["no","crimeRate","zone","indus","chasRiver","NO2","rooms","age",
"distances","idxHighways","taxRate","teacherRatio","color","status","cost"]
X=df[["crimeRate","zone","indus","chasRiver","NO2","rooms","age",
"distances","idxHighways","taxRate","teacherRatio","color","status"]]
y=df['cost']
lr = LinearRegression()

# Create the floating forward search
sffs = SFS(lr,
k_features=(1,13),
forward=True,  # Forward
floating=True,  #Floating
scoring='neg_mean_squared_error',
cv=5)

# Fit a model
sffs = sffs.fit(X.as_matrix(), y.as_matrix())
a=sffs.get_metric_dict()
n=[]
o=[]
# Compute mean validation scores
for i in np.arange(1,13):
n.append(-np.mean(a[i]['cv_scores']))

m=np.arange(1,13)

# Plot the cross validation score vs number of features
fig3=plt.plot(m,n)
fig3=plt.title('SFFS:Mean CV Scores vs No of features')
fig3.figure.savefig('fig3.png', bbox_inches='tight')

print(pd.DataFrame.from_dict(sffs.get_metric_dict(confidence_interval=0.90)).T)
# Get the index of the minimum CV score
idx = np.argmin(n)
print "No of features=",idx
#Get the features indices for the best forward floating fit and convert to list
b=list(a[idx]['feature_idx'])
print(b)

print("#################################################################################")
# Index the column names.
# Features from forward fit
print("Features selected in forward fit")
print(X.columns[b])
##    avg_score ci_bound                                          cv_scores  \
## 1   -42.6185  19.0465  [-23.5582499971, -41.8215743748, -73.993608929...
## 2   -36.0651  16.3184  [-18.002498199, -40.1507894517, -56.5286659068...
## 3   -34.1001    20.87  [-9.43012884381, -25.9584955394, -36.184188174...
## 4   -33.7681  20.1638  [-8.86076528781, -28.650217633, -35.7246353855...
## 5   -33.6392  20.5271  [-8.90807628524, -28.0684679108, -35.827463022...
## 6   -33.6276  19.0859  [-9.549485942, -30.9724602876, -32.6689523347,...
## 7   -32.1834  12.1001  [-17.9491036167, -39.6479234651, -45.470227740...
## 8   -32.0908  11.8179  [-17.4389015788, -41.2453629843, -44.247557798...
## 9   -31.0671  10.1581  [-17.2689542913, -37.4379370429, -41.366372300...
## 10  -28.9225  9.39697  [-18.562171585, -29.968504938, -39.9586835965,...
## 11  -29.4301  10.8831  [-18.3346152225, -30.3312847532, -45.065432793...
## 12  -30.4589  11.1486  [-18.493389527, -35.0290639374, -45.1558231765...
## 13  -37.1318  23.2657  [-12.4603005692, -26.0486211062, -33.074137979...
##
##                                    feature_idx  std_dev  std_err
## 1                                        (12,)  18.9042  9.45212
## 2                                     (10, 12)  16.1965  8.09826
## 3                                  (10, 12, 5)  20.7142  10.3571
## 4                               (10, 3, 12, 5)  20.0132  10.0066
## 5                            (0, 10, 3, 12, 5)  20.3738  10.1869
## 6                         (0, 3, 5, 7, 10, 12)  18.9433  9.47167
## 7                      (0, 1, 2, 3, 7, 10, 12)  12.0097  6.00487
## 8                   (0, 1, 2, 3, 7, 8, 10, 12)  11.7297  5.86484
## 9                (0, 1, 2, 3, 7, 8, 9, 10, 12)  10.0822  5.04111
## 10           (0, 1, 4, 6, 7, 8, 9, 10, 11, 12)   9.3268   4.6634
## 11        (0, 1, 3, 4, 6, 7, 8, 9, 10, 11, 12)  10.8018  5.40092
## 12     (0, 1, 2, 3, 4, 6, 7, 8, 9, 10, 11, 12)  11.0653  5.53265
## 13  (0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12)  23.0919   11.546
## No of features= 9
## [0, 1, 2, 3, 7, 8, 9, 10, 12]
## #################################################################################
## Features selected in forward fit
## Index([u'crimeRate', u'zone', u'indus', u'chasRiver', u'distances',
##        u'idxHighways', u'taxRate', u'teacherRatio', u'status'],
##       dtype='object')

## 1.3d Sequential Floating Backward Selection (SFBS) – Python code

The SFBS is an extension of the SBS. Here features that are excluded at any stage can be conditionally included if the resulting feature set gives a better fit.

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.model_selection import train_test_split
from sklearn.linear_model import LinearRegression
from sklearn.datasets import load_boston
from mlxtend.plotting import plot_sequential_feature_selection as plot_sfs
import matplotlib.pyplot as plt
from mlxtend.feature_selection import SequentialFeatureSelector as SFS
from sklearn.linear_model import LinearRegression

df = pd.read_csv("Boston.csv",encoding = "ISO-8859-1")
#Rename the columns
df.columns=["no","crimeRate","zone","indus","chasRiver","NO2","rooms","age",
"distances","idxHighways","taxRate","teacherRatio","color","status","cost"]
X=df[["crimeRate","zone","indus","chasRiver","NO2","rooms","age",
"distances","idxHighways","taxRate","teacherRatio","color","status"]]
y=df['cost']
lr = LinearRegression()

sffs = SFS(lr,
k_features=(1,13),
forward=False, # Backward
floating=True, # Floating
scoring='neg_mean_squared_error',
cv=5)

sffs = sffs.fit(X.as_matrix(), y.as_matrix())
a=sffs.get_metric_dict()
n=[]
o=[]
# Compute the mean cross validation score
for i in np.arange(1,13):
n.append(-np.mean(a[i]['cv_scores']))

m=np.arange(1,13)

fig4=plt.plot(m,n)
fig4=plt.title('SFBS: Mean CV Scores vs No of features')
fig4.figure.savefig('fig4.png', bbox_inches='tight')

print(pd.DataFrame.from_dict(sffs.get_metric_dict(confidence_interval=0.90)).T)

# Get the index of the minimum CV score
idx = np.argmin(n)
print "No of features=",idx
#Get the features indices for the best backward floating fit and convert to list
b=list(a[idx]['feature_idx'])
print(b)

print("#################################################################################")
# Index the column names.
# Features from forward fit
print("Features selected in backward floating fit")
print(X.columns[b])
##    avg_score ci_bound                                          cv_scores  \
## 1   -42.6185  19.0465  [-23.5582499971, -41.8215743748, -73.993608929...
## 2   -36.0651  16.3184  [-18.002498199, -40.1507894517, -56.5286659068...
## 3   -34.1001    20.87  [-9.43012884381, -25.9584955394, -36.184188174...
## 4    -33.463  12.4081  [-20.6415333292, -37.3247852146, -47.479302977...
## 5   -32.3699  11.2725  [-20.8771078371, -34.9825657934, -45.813447203...
## 6   -31.6742  11.2458  [-20.3082500364, -33.2288990522, -45.535507868...
## 7   -30.7133  9.23881  [-19.4425181917, -31.1742902259, -40.531266671...
## 8   -29.7432  9.84468  [-19.445277268, -30.0641187173, -40.2561247122...
## 9   -29.0878  9.45027  [-19.3545569877, -30.094768669, -39.7506036377...
## 10  -28.9225  9.39697  [-18.562171585, -29.968504938, -39.9586835965,...
## 11  -29.4301  10.8831  [-18.3346152225, -30.3312847532, -45.065432793...
## 12  -30.4589  11.1486  [-18.493389527, -35.0290639374, -45.1558231765...
## 13  -37.1318  23.2657  [-12.4603005692, -26.0486211062, -33.074137979...
##
##                                    feature_idx  std_dev  std_err
## 1                                        (12,)  18.9042  9.45212
## 2                                     (10, 12)  16.1965  8.09826
## 3                                  (10, 12, 5)  20.7142  10.3571
## 4                               (4, 10, 7, 12)  12.3154  6.15772
## 5                            (12, 10, 4, 1, 7)  11.1883  5.59417
## 6                        (4, 7, 8, 10, 11, 12)  11.1618  5.58088
## 7                      (1, 4, 7, 8, 9, 10, 12)  9.16981  4.58491
## 8                  (1, 4, 7, 8, 9, 10, 11, 12)  9.77116  4.88558
## 9               (0, 1, 4, 7, 8, 9, 10, 11, 12)  9.37969  4.68985
## 10           (0, 1, 4, 6, 7, 8, 9, 10, 11, 12)   9.3268   4.6634
## 11        (0, 1, 3, 4, 6, 7, 8, 9, 10, 11, 12)  10.8018  5.40092
## 12     (0, 1, 2, 3, 4, 6, 7, 8, 9, 10, 11, 12)  11.0653  5.53265
## 13  (0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12)  23.0919   11.546
## No of features= 9
## [0, 1, 4, 7, 8, 9, 10, 11, 12]
## #################################################################################
## Features selected in backward floating fit
## Index([u'crimeRate', u'zone', u'NO2', u'distances', u'idxHighways', u'taxRate',
##        u'teacherRatio', u'color', u'status'],
##       dtype='object')

# 1.4 Ridge regression

In Linear Regression the Residual Sum of Squares (RSS) is given as

$RSS = \sum_{i=1}^{n} (y_{i} - \beta_{0} - \sum_{j=1}^{p}\beta_jx_{ij})^{2}$
Ridge regularization =$\sum_{i=1}^{n} (y_{i} - \beta_{0} - \sum_{j=1}^{p}\beta_jx_{ij})^{2} + \lambda \sum_{j=1}^{p}\beta^{2}$

where is the regularization or tuning parameter. Increasing increases the penalty on the coefficients thus shrinking them. However in Ridge Regression features that do not influence the target variable will shrink closer to zero but never become zero except for very large values of

Ridge regression in R requires the ‘glmnet’ package

## 1.4a Ridge Regression – R code

library(glmnet)
library(dplyr)
# Read the data
df=read.csv("Boston.csv",stringsAsFactors = FALSE) # Data from MASS - SL
#Rename the columns
names(df) <-c("no","crimeRate","zone","indus","charles","nox","rooms","age",
"distances","highways","tax","teacherRatio","color","status","cost")
# Select specific columns
df1 <- df %>% dplyr::select("crimeRate","zone","indus","charles","nox","rooms","age",
"distances","highways","tax","teacherRatio","color","status","cost")

# Set X and y as matrices
X=as.matrix(df1[,1:13])
y=df1$cost # Fit a Ridge model fitRidge <-glmnet(X,y,alpha=0) #Plot the model where the coefficient shrinkage is plotted vs log lambda plot(fitRidge,xvar="lambda",label=TRUE,main= "Ridge regression coefficient shrikage vs log lambda") The plot below shows how the 13 coefficients for the 13 predictors vary when lambda is increased. The x-axis includes log (lambda). We can see that increasing lambda from $10^{2}$ to $10^{6}$ significantly shrinks the coefficients. We can draw a vertical line from the x-axis and read the values of the 13 coefficients. Some of them will be close to zero # Compute the cross validation error cvRidge=cv.glmnet(X,y,alpha=0) #Plot the cross validation error plot(cvRidge, main="Ridge regression Cross Validation Error (10 fold)") This gives the 10 fold Cross Validation Error with respect to log (lambda) As lambda increase the MSE increases ## 1.4a Ridge Regression – Python code The coefficient shrinkage for Python can be plotted like R using Least Angle Regression model a.k.a. LARS package. This is included below import numpy as np import pandas as pd import os import matplotlib.pyplot as plt from sklearn.model_selection import train_test_split df = pd.read_csv("Boston.csv",encoding = "ISO-8859-1") #Rename the columns df.columns=["no","crimeRate","zone","indus","chasRiver","NO2","rooms","age", "distances","idxHighways","taxRate","teacherRatio","color","status","cost"] X=df[["crimeRate","zone","indus","chasRiver","NO2","rooms","age", "distances","idxHighways","taxRate","teacherRatio","color","status"]] y=df['cost'] from sklearn.preprocessing import MinMaxScaler scaler = MinMaxScaler() from sklearn.linear_model import Ridge X_train, X_test, y_train, y_test = train_test_split(X, y, random_state = 0) # Scale the X_train and X_test X_train_scaled = scaler.fit_transform(X_train) X_test_scaled = scaler.transform(X_test) # Fit a ridge regression with alpha=20 linridge = Ridge(alpha=20.0).fit(X_train_scaled, y_train) # Print the training R squared print('R-squared score (training): {:.3f}' .format(linridge.score(X_train_scaled, y_train))) # Print the test Rsquared print('R-squared score (test): {:.3f}' .format(linridge.score(X_test_scaled, y_test))) print('Number of non-zero features: {}' .format(np.sum(linridge.coef_ != 0))) trainingRsquared=[] testRsquared=[] # Plot the effect of alpha on the test Rsquared print('Ridge regression: effect of alpha regularization parameter\n') # Choose a list of alpha values for this_alpha in [0.001,.01,.1,0, 1, 10, 20, 50, 100, 1000]: linridge = Ridge(alpha = this_alpha).fit(X_train_scaled, y_train) # Compute training rsquared r2_train = linridge.score(X_train_scaled, y_train) # Compute test rsqaured r2_test = linridge.score(X_test_scaled, y_test) num_coeff_bigger = np.sum(abs(linridge.coef_) > 1.0) trainingRsquared.append(r2_train) testRsquared.append(r2_test) # Create a dataframe alpha=[0.001,.01,.1,0, 1, 10, 20, 50, 100, 1000] trainingRsquared=pd.DataFrame(trainingRsquared,index=alpha) testRsquared=pd.DataFrame(testRsquared,index=alpha) # Plot training and test R squared as a function of alpha df3=pd.concat([trainingRsquared,testRsquared],axis=1) df3.columns=['trainingRsquared','testRsquared'] fig5=df3.plot() fig5=plt.title('Ridge training and test squared error vs Alpha') fig5.figure.savefig('fig5.png', bbox_inches='tight') # Plot the coefficient shrinage using the LARS package from sklearn import linear_model # ############################################################################# # Compute paths n_alphas = 200 alphas = np.logspace(0, 8, n_alphas) coefs = [] for a in alphas: ridge = linear_model.Ridge(alpha=a, fit_intercept=False) ridge.fit(X_train_scaled, y_train) coefs.append(ridge.coef_) # ############################################################################# # Display results ax = plt.gca() fig6=ax.plot(alphas, coefs) fig6=ax.set_xscale('log') fig6=ax.set_xlim(ax.get_xlim()[::-1]) # reverse axis fig6=plt.xlabel('alpha') fig6=plt.ylabel('weights') fig6=plt.title('Ridge coefficients as a function of the regularization') fig6=plt.axis('tight') plt.savefig('fig6.png', bbox_inches='tight')  ## R-squared score (training): 0.620 ## R-squared score (test): 0.438 ## Number of non-zero features: 13 ## Ridge regression: effect of alpha regularization parameter The plot below shows the training and test error when increasing the tuning or regularization parameter ‘alpha’ For Python the coefficient shrinkage with LARS must be viewed from right to left, where you have increasing alpha. As alpha increases the coefficients shrink to 0. ## 1.5 Lasso regularization The Lasso is another form of regularization, also known as L1 regularization. Unlike the Ridge Regression where the coefficients of features which do not influence the target tend to zero, in the lasso regualrization the coefficients become 0. The general form of Lasso is as follows $\sum_{i=1}^{n} (y_{i} - \beta_{0} - \sum_{j=1}^{p}\beta_jx_{ij})^{2} + \lambda \sum_{j=1}^{p}|\beta|$ ## 1.5a Lasso regularization – R code library(glmnet) library(dplyr) df=read.csv("Boston.csv",stringsAsFactors = FALSE) # Data from MASS - SL names(df) <-c("no","crimeRate","zone","indus","charles","nox","rooms","age", "distances","highways","tax","teacherRatio","color","status","cost") df1 <- df %>% dplyr::select("crimeRate","zone","indus","charles","nox","rooms","age", "distances","highways","tax","teacherRatio","color","status","cost") # Set X and y as matrices X=as.matrix(df1[,1:13]) y=df1$cost

# Fit the lasso model
fitLasso <- glmnet(X,y)
# Plot the coefficient shrinkage as a function of log(lambda)
plot(fitLasso,xvar="lambda",label=TRUE,main="Lasso regularization - Coefficient shrinkage vs log lambda")

The plot below shows that in L1 regularization the coefficients actually become zero with increasing lambda

# Compute the cross validation error (10 fold)
cvLasso=cv.glmnet(X,y,alpha=0)
# Plot the cross validation error
plot(cvLasso)

This gives the MSE for the lasso model

## 1.5 b Lasso regularization – Python code

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.model_selection import train_test_split
from sklearn.linear_model import Lasso
from sklearn.preprocessing import MinMaxScaler
from sklearn import linear_model

scaler = MinMaxScaler()
df = pd.read_csv("Boston.csv",encoding = "ISO-8859-1")
#Rename the columns
df.columns=["no","crimeRate","zone","indus","chasRiver","NO2","rooms","age",
"distances","idxHighways","taxRate","teacherRatio","color","status","cost"]
X=df[["crimeRate","zone","indus","chasRiver","NO2","rooms","age",
"distances","idxHighways","taxRate","teacherRatio","color","status"]]
y=df['cost']
X_train, X_test, y_train, y_test = train_test_split(X, y,
random_state = 0)

X_train_scaled = scaler.fit_transform(X_train)
X_test_scaled = scaler.transform(X_test)

linlasso = Lasso(alpha=0.1, max_iter = 10).fit(X_train_scaled, y_train)

print('Non-zero features: {}'
.format(np.sum(linlasso.coef_ != 0)))
print('R-squared score (training): {:.3f}'
.format(linlasso.score(X_train_scaled, y_train)))
print('R-squared score (test): {:.3f}\n'
.format(linlasso.score(X_test_scaled, y_test)))
print('Features with non-zero weight (sorted by absolute magnitude):')

for e in sorted (list(zip(list(X), linlasso.coef_)),
key = lambda e: -abs(e[1])):
if e[1] != 0:
print('\t{}, {:.3f}'.format(e[0], e[1]))

print('Lasso regression: effect of alpha regularization\n\
parameter on number of features kept in final model\n')

trainingRsquared=[]
testRsquared=[]
#for alpha in [0.01,0.05,0.1, 1, 2, 3, 5, 10, 20, 50]:
for alpha in [0.01,0.07,0.05, 0.1, 1,2, 3, 5, 10]:
linlasso = Lasso(alpha, max_iter = 10000).fit(X_train_scaled, y_train)
r2_train = linlasso.score(X_train_scaled, y_train)
r2_test = linlasso.score(X_test_scaled, y_test)
trainingRsquared.append(r2_train)
testRsquared.append(r2_test)

alpha=[0.01,0.07,0.05, 0.1, 1,2, 3, 5, 10]
#alpha=[0.01,0.05,0.1, 1, 2, 3, 5, 10, 20, 50]
trainingRsquared=pd.DataFrame(trainingRsquared,index=alpha)
testRsquared=pd.DataFrame(testRsquared,index=alpha)

df3=pd.concat([trainingRsquared,testRsquared],axis=1)
df3.columns=['trainingRsquared','testRsquared']

fig7=df3.plot()
fig7=plt.title('LASSO training and test squared error vs Alpha')
fig7.figure.savefig('fig7.png', bbox_inches='tight')


## Non-zero features: 7
## R-squared score (training): 0.726
## R-squared score (test): 0.561
##
## Features with non-zero weight (sorted by absolute magnitude):
##  status, -18.361
##  rooms, 18.232
##  teacherRatio, -8.628
##  taxRate, -2.045
##  color, 1.888
##  chasRiver, 1.670
##  distances, -0.529
## Lasso regression: effect of alpha regularization
## parameter on number of features kept in final model
##
## Computing regularization path using the LARS ...
## .C:\Users\Ganesh\ANACON~1\lib\site-packages\sklearn\linear_model\coordinate_descent.py:484: ConvergenceWarning: Objective did not converge. You might want to increase the number of iterations. Fitting data with very small alpha may cause precision problems.
##   ConvergenceWarning)

## 1.5c Lasso coefficient shrinkage – Python code

To plot the coefficient shrinkage for Lasso the Least Angle Regression model a.k.a. LARS package. This is shown below

import numpy as np
import pandas as pd
import os
import matplotlib.pyplot as plt
from sklearn.model_selection import train_test_split
from sklearn.linear_model import Lasso
from sklearn.preprocessing import MinMaxScaler
from sklearn import linear_model
scaler = MinMaxScaler()
df = pd.read_csv("Boston.csv",encoding = "ISO-8859-1")
#Rename the columns
df.columns=["no","crimeRate","zone","indus","chasRiver","NO2","rooms","age",
"distances","idxHighways","taxRate","teacherRatio","color","status","cost"]
X=df[["crimeRate","zone","indus","chasRiver","NO2","rooms","age",
"distances","idxHighways","taxRate","teacherRatio","color","status"]]
y=df['cost']
X_train, X_test, y_train, y_test = train_test_split(X, y,
random_state = 0)

X_train_scaled = scaler.fit_transform(X_train)
X_test_scaled = scaler.transform(X_test)

print("Computing regularization path using the LARS ...")
alphas, _, coefs = linear_model.lars_path(X_train_scaled, y_train, method='lasso', verbose=True)

xx = np.sum(np.abs(coefs.T), axis=1)
xx /= xx[-1]

fig8=plt.plot(xx, coefs.T)

ymin, ymax = plt.ylim()
fig8=plt.vlines(xx, ymin, ymax, linestyle='dashed')
fig8=plt.xlabel('|coef| / max|coef|')
fig8=plt.ylabel('Coefficients')
fig8=plt.title('LASSO Path - Coefficient Shrinkage vs L1')
fig8=plt.axis('tight')
plt.savefig('fig8.png', bbox_inches='tight')

This 3rd part of the series covers the main ‘feature selection’ methods. I hope these posts serve as a quick and useful reference to ML code both for R and Python!
Stay tuned for further updates to this series!
Watch this space!

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To see all posts see Index of posts

# My 2 video presentations on ‘Essential Python for Datascience’

Here, in this post I include 2 sessions on ‘Essential Python for Datascience’. These 2 presentations cover the most important features of the Python language with which you can hit the ground running in datascience. All  the related material for these sessions can be cloned/downloaded from Github at ‘EssentialPythonForDatascience

1. Essential Python for Datascience -1
In this  video presentation I cover basic data types like tuples,lists, dictionaries. How to get the type of a variable, subsetting and numpy arrays. Some basic operations on numpy arrays, slicing is also covered

2. Essential Python for Datascience -2
In the 2nd part I cover Pandas, pandas Series, dataframes, how to subset dataframes using iloc,loc, selection of specific columns, filtering dataframes by criteria etc. Other operations include group_by, apply,agg. Lastly I also touch upon matplotlib.

This is no means an exhaustive coverage of the multitude of features available in Python but can provide as a good starting point for those venturing into datascience with Python.

Good luck with Python!

To see all posts see Index of posts

# R vs Python: Different similarities and similar differences

A debate about which language is better suited for Datascience, R or Python, can set off diehard fans of these languages into a tizzy. This post tries to look at some of the different similarities and similar differences between these languages. To a large extent the ease or difficulty in learning R or Python is subjective. I have heard that R has a steeper learning curve than Python and also vice versa. This probably depends on the degree of familiarity with the languuge To a large extent both R an Python do the same thing in just slightly different ways and syntaxes. The ease or the difficulty in the R/Python construct’s largely is in the ‘eyes of the beholder’ nay, programmer’ we could say.  I include my own experience with the languages below.

Check out my compact and minimal book  “Practical Machine Learning with R and Python:Third edition- Machine Learning in stereo”  available in Amazon in paperback($12.99) and kindle($8.99) versions. My book includes implementations of key ML algorithms and associated measures and metrics. The book is ideal for anybody who is familiar with the concepts and would like a quick reference to the different ML algorithms that can be applied to problems and how to select the best model. Pick your copy today!!

### 1. R data types

R has the following data types

1.  Character
2. Integer
3. Numeric
4. Logical
5. Complex
6. Raw

Python has several data types

1. Int
2. float
3. Long
4. Complex and so on

### 2. R Vector vs Python List

A common data type in R is the vector. Python has a similar data type, the list

# R vectors
a<-c(4,5,1,3,4,5)
print(a[3])
## [1] 1
print(a[3:4]) # R does not always need the explicit print. 
## [1] 1 3
#R type of variable
print(class(a))
## [1] "numeric"
# Length of a
print(length(a))
## [1] 6
# Python lists
a=[4,5,1,3,4,5] #
print(a[2]) # Some python IDEs require the explicit print
print(a[2:5])
print(type(a))
# Length of a
print(len(a))
## 1
## [1, 3, 4]
##
## 6

### 2a. Other data types – Python

Python also has certain other data types like the tuple, dictionary etc as shown below. R does not have as many of the data types, nevertheless we can do everything that Python does in R

# Python tuple
b = (4,5,7,8)
print(b)

#Python dictionary
c={'name':'Ganesh','age':54,'Work':'Professional'}
print(c)
#Print type of variable c

## (4, 5, 7, 8)
## {'name': 'Ganesh', 'age': 54, 'Work': 'Professional'}

### 2.Type of Variable

To know the type of the variable in R we use ‘class’, In Python the corresponding command is ‘type’

#R - Type of variable
a<-c(4,5,1,3,4,5)
print(class(a))
## [1] "numeric"
#Python - Print type of tuple a
a=[4,5,1,3,4,5]
print(type(a))
b=(4,3,"the",2)
print(type(b))
##
## 

### 3. Length

To know length in R, use length()

#R - Length of vector
# Length of a
a<-c(4,5,1,3,4,5)
print(length(a))
## [1] 6

To know the length of a list,tuple or dict we can use len()

# Python - Length of list , tuple etc
# Length of a
a=[4,5,1,3,4,5]
print(len(a))
# Length of b
b = (4,5,7,8)
print(len(b))

## 6
## 4

### 4. Accessing help

To access help in R we use the ‘?’ or the ‘help’ function

#R - Help - To be done in R console or RStudio
#?sapply
#help(sapply)

Help in python on any topic involves

#Python help - This can be done on a (I)Python console
#help(len)
#?len

### 5. Subsetting

The key difference between R and Python with regards to subsetting is that in R the index starts at 1. In Python it starts at 0, much like C,C++ or Java To subset a vector in R we use

#R - Subset
a<-c(4,5,1,3,4,8,12,18,1)
print(a[3])
## [1] 1
# To print a range or a slice. Print from the 3rd to the 5th element
print(a[3:6])
## [1] 1 3 4 8

Python also uses indices. The difference in Python is that the index starts from 0/

#Python - Subset
a=[4,5,1,3,4,8,12,18,1]
# Print the 4th element (starts from 0)
print(a[3])

# Print a slice from 4 to 6th element
print(a[3:6])
## 3
## [3, 4, 8]

### 6. Operations on vectors in R and operation on lists in Python

In R we can do many operations on vectors for e.g. element by element addition, subtraction, exponentation,product etc. as show

#R - Operations on vectors
a<- c(5,2,3,1,7)
b<- c(1,5,4,6,8)

#Element wise Addition
print(a+b)
## [1]  6  7  7  7 15
#Element wise subtraction
print(a-b)
## [1]  4 -3 -1 -5 -1
#Element wise product
print(a*b)
## [1]  5 10 12  6 56
# Exponentiating the elements of a vector
print(a^2)
## [1] 25  4  9  1 49

In Python to do this on lists we need to use the ‘map’ and the ‘lambda’ function as follows

# Python - Operations on list
a =[5,2,3,1,7]
b =[1,5,4,6,8]

#Element wise addition with map & lambda
print(list(map(lambda x,y: x+y,a,b)))
#Element wise subtraction
print(list(map(lambda x,y: x-y,a,b)))
#Element wise product
print(list(map(lambda x,y: x*y,a,b)))
# Exponentiating the elements of a list
print(list(map(lambda x: x**2,a)))

## [6, 7, 7, 7, 15]
## [4, -3, -1, -5, -1]
## [5, 10, 12, 6, 56]
## [25, 4, 9, 1, 49]

However if we create ndarrays from lists then we can do the element wise addition,subtraction,product, etc. like R. Numpy is really a powerful module with many, many functions for matrix manipulations

import numpy as np
a =[5,2,3,1,7]
b =[1,5,4,6,8]
a=np.array(a)
b=np.array(b)
#Element wise addition
print(a+b)
#Element wise subtraction
print(a-b)
#Element wise product
print(a*b)
# Exponentiating the elements of a list
print(a**2)

## [ 6  7  7  7 15]
## [ 4 -3 -1 -5 -1]
## [ 5 10 12  6 56]
## [25  4  9  1 49]

### 7. Getting the index of element

To determine the index of an element which satisifies a specific logical condition in R use ‘which’. In the code below the index of element which is equal to 1 is 4

# R - Which
a<- c(5,2,3,1,7)
print(which(a == 1))
## [1] 4

In Python array we can use np.where to get the same effect. The index will be 3 as the index starts from 0

# Python - np.where
import numpy as np
a =[5,2,3,1,7]
a=np.array(a)
print(np.where(a==1))
## (array([3], dtype=int64),)

### 8. Data frames

R, by default comes with a set of in-built datasets. There are some datasets which come with the SkiKit- Learn package

# R
# To check built datasets use
#data() - In R console or in R Studio
#iris - Don't print to console

We can use the in-built data sets that come with Scikit package

#Python
import sklearn as sklearn
import pandas as pd
from sklearn import datasets
# This creates a Sklearn bunch
data = datasets.load_iris()
# Convert to Pandas dataframe
iris = pd.DataFrame(data.data, columns=data.feature_names)

### 9. Working with dataframes

With R you can work with dataframes directly. For more complex dataframe operations in R there are convenient packages like dplyr, reshape2 etc. For Python we need to use the Pandas package. Pandas is quite comprehensive in the list of things we can do with data frames The most common operations on a dataframe are

• Check the size of the dataframe
• Take a look at the top 5 or bottom 5 rows of dataframe
• Check the content of the dataframe

#### a.Size

In R use dim()

#R - Size
dim(iris)
## [1] 150   5

For Python use .shape

#Python - size
import sklearn as sklearn
import pandas as pd
from sklearn import datasets
data = datasets.load_iris()
# Convert to Pandas dataframe
iris = pd.DataFrame(data.data, columns=data.feature_names)
iris.shape

#### b. Top & bottom 5 rows of dataframe

To know the top and bottom rows of a data frame we use head() & tail as shown below for R and Python

#R
head(iris,5)
##   Sepal.Length Sepal.Width Petal.Length Petal.Width Species
## 1          5.1         3.5          1.4         0.2  setosa
## 2          4.9         3.0          1.4         0.2  setosa
## 3          4.7         3.2          1.3         0.2  setosa
## 4          4.6         3.1          1.5         0.2  setosa
## 5          5.0         3.6          1.4         0.2  setosa
tail(iris,5)
##     Sepal.Length Sepal.Width Petal.Length Petal.Width   Species
## 146          6.7         3.0          5.2         2.3 virginica
## 147          6.3         2.5          5.0         1.9 virginica
## 148          6.5         3.0          5.2         2.0 virginica
## 149          6.2         3.4          5.4         2.3 virginica
## 150          5.9         3.0          5.1         1.8 virginica
#Python
import sklearn as sklearn
import pandas as pd
from sklearn import datasets
data = datasets.load_iris()
# Convert to Pandas dataframe
iris = pd.DataFrame(data.data, columns=data.feature_names)
print(iris.head(5))
print(iris.tail(5))
##    sepal length (cm)  sepal width (cm)  petal length (cm)  petal width (cm)
## 0                5.1               3.5                1.4               0.2
## 1                4.9               3.0                1.4               0.2
## 2                4.7               3.2                1.3               0.2
## 3                4.6               3.1                1.5               0.2
## 4                5.0               3.6                1.4               0.2
##      sepal length (cm)  sepal width (cm)  petal length (cm)  petal width (cm)
## 145                6.7               3.0                5.2               2.3
## 146                6.3               2.5                5.0               1.9
## 147                6.5               3.0                5.2               2.0
## 148                6.2               3.4                5.4               2.3
## 149                5.9               3.0                5.1               1.8

#### c. Check the content of the dataframe

#R
summary(iris)
##   Sepal.Length    Sepal.Width     Petal.Length    Petal.Width
##  Min.   :4.300   Min.   :2.000   Min.   :1.000   Min.   :0.100
##  1st Qu.:5.100   1st Qu.:2.800   1st Qu.:1.600   1st Qu.:0.300
##  Median :5.800   Median :3.000   Median :4.350   Median :1.300
##  Mean   :5.843   Mean   :3.057   Mean   :3.758   Mean   :1.199
##  3rd Qu.:6.400   3rd Qu.:3.300   3rd Qu.:5.100   3rd Qu.:1.800
##  Max.   :7.900   Max.   :4.400   Max.   :6.900   Max.   :2.500
##        Species
##  setosa    :50
##  versicolor:50
##  virginica :50
##
##
## 
str(iris)
## 'data.frame':    150 obs. of  5 variables:
##  $Sepal.Length: num 5.1 4.9 4.7 4.6 5 5.4 4.6 5 4.4 4.9 ... ##$ Sepal.Width : num  3.5 3 3.2 3.1 3.6 3.9 3.4 3.4 2.9 3.1 ...
##  $Petal.Length: num 1.4 1.4 1.3 1.5 1.4 1.7 1.4 1.5 1.4 1.5 ... ##$ Petal.Width : num  0.2 0.2 0.2 0.2 0.2 0.4 0.3 0.2 0.2 0.1 ...
##  $Species : Factor w/ 3 levels "setosa","versicolor",..: 1 1 1 1 1 1 1 1 1 1 ... #Python import sklearn as sklearn import pandas as pd from sklearn import datasets data = datasets.load_iris() # Convert to Pandas dataframe iris = pd.DataFrame(data.data, columns=data.feature_names) print(iris.info()) ## ## RangeIndex: 150 entries, 0 to 149 ## Data columns (total 4 columns): ## sepal length (cm) 150 non-null float64 ## sepal width (cm) 150 non-null float64 ## petal length (cm) 150 non-null float64 ## petal width (cm) 150 non-null float64 ## dtypes: float64(4) ## memory usage: 4.8 KB ## None #### d. Check column names #R names(iris) ## [1] "Sepal.Length" "Sepal.Width" "Petal.Length" "Petal.Width" ## [5] "Species" colnames(iris) ## [1] "Sepal.Length" "Sepal.Width" "Petal.Length" "Petal.Width" ## [5] "Species" #Python import sklearn as sklearn import pandas as pd from sklearn import datasets data = datasets.load_iris() # Convert to Pandas dataframe iris = pd.DataFrame(data.data, columns=data.feature_names) #Get column names print(iris.columns) ## Index(['sepal length (cm)', 'sepal width (cm)', 'petal length (cm)', ## 'petal width (cm)'], ## dtype='object') #### e. Rename columns In R we can assign a vector to column names #R colnames(iris) <- c("lengthOfSepal","widthOfSepal","lengthOfPetal","widthOfPetal","Species") colnames(iris) ## [1] "lengthOfSepal" "widthOfSepal" "lengthOfPetal" "widthOfPetal" ## [5] "Species" In Python we can assign a list to s.columns #Python import sklearn as sklearn import pandas as pd from sklearn import datasets data = datasets.load_iris() # Convert to Pandas dataframe iris = pd.DataFrame(data.data, columns=data.feature_names) iris.columns = ["lengthOfSepal","widthOfSepal","lengthOfPetal","widthOfPetal"] print(iris.columns) ## Index(['lengthOfSepal', 'widthOfSepal', 'lengthOfPetal', 'widthOfPetal'], dtype='object') ### f.Details of dataframe #Python import sklearn as sklearn import pandas as pd from sklearn import datasets data = datasets.load_iris() # Convert to Pandas dataframe iris = pd.DataFrame(data.data, columns=data.feature_names) print(iris.info()) ## ## RangeIndex: 150 entries, 0 to 149 ## Data columns (total 4 columns): ## sepal length (cm) 150 non-null float64 ## sepal width (cm) 150 non-null float64 ## petal length (cm) 150 non-null float64 ## petal width (cm) 150 non-null float64 ## dtypes: float64(4) ## memory usage: 4.8 KB ## None #### g. Subsetting dataframes # R #To subset a dataframe 'df' in R we use df[row,column] or df[row vector,column vector] #df[row,column] iris[3,4] ## [1] 0.2 #df[row vector, column vector] iris[2:5,1:3] ## lengthOfSepal widthOfSepal lengthOfPetal ## 2 4.9 3.0 1.4 ## 3 4.7 3.2 1.3 ## 4 4.6 3.1 1.5 ## 5 5.0 3.6 1.4 #If we omit the row vector, then it implies all rows or if we omit the column vector # then implies all columns for that row iris[2:5,] ## lengthOfSepal widthOfSepal lengthOfPetal widthOfPetal Species ## 2 4.9 3.0 1.4 0.2 setosa ## 3 4.7 3.2 1.3 0.2 setosa ## 4 4.6 3.1 1.5 0.2 setosa ## 5 5.0 3.6 1.4 0.2 setosa # In R we can all specific columns by column names iris$Sepal.Length[2:5]
## NULL
#Python
# To select an entire row we use .iloc. The index can be used with the ':'. If
# .iloc[start row: end row]. If start row is omitted then it implies the beginning of
# data frame, if end row is omitted then it implies all rows till end
#Python
import sklearn as sklearn
import pandas as pd
from sklearn import datasets
data = datasets.load_iris()
# Convert to Pandas dataframe
iris = pd.DataFrame(data.data, columns=data.feature_names)
print(iris.iloc[3])
print(iris[:5])
# In python we can select columns by column name as follows
print(iris['sepal length (cm)'][2:6])
#If you want to select more than 2 columns then you must use the double '[[]]' since the
# index is a list itself
print(iris[['sepal length (cm)','sepal width (cm)']][4:7])
## sepal length (cm)    4.6
## sepal width (cm)     3.1
## petal length (cm)    1.5
## petal width (cm)     0.2
## Name: 3, dtype: float64
##    sepal length (cm)  sepal width (cm)  petal length (cm)  petal width (cm)
## 0                5.1               3.5                1.4               0.2
## 1                4.9               3.0                1.4               0.2
## 2                4.7               3.2                1.3               0.2
## 3                4.6               3.1                1.5               0.2
## 4                5.0               3.6                1.4               0.2
## 2    4.7
## 3    4.6
## 4    5.0
## 5    5.4
## Name: sepal length (cm), dtype: float64
##    sepal length (cm)  sepal width (cm)
## 4                5.0               3.6
## 5                5.4               3.9
## 6                4.6               3.4

#### h. Computing Mean, Standard deviation

#R
#Mean
mean(iris$lengthOfSepal) ## [1] 5.843333 #Standard deviation sd(iris$widthOfSepal)
## [1] 0.4358663
#Python
#Mean
import sklearn as sklearn
import pandas as pd
from sklearn import datasets
data = datasets.load_iris()
# Convert to Pandas dataframe
iris = pd.DataFrame(data.data, columns=data.feature_names)
# Convert to Pandas dataframe
print(iris['sepal length (cm)'].mean())
#Standard deviation
print(iris['sepal width (cm)'].std())
## 5.843333333333335
## 0.4335943113621737

#### i. Boxplot

Boxplot can be produced in R using baseplot

#R
boxplot(iris$lengthOfSepal) Matplotlib is a popular package in Python for plots #Python import sklearn as sklearn import pandas as pd import matplotlib.pyplot as plt from sklearn import datasets data = datasets.load_iris() # Convert to Pandas dataframe iris = pd.DataFrame(data.data, columns=data.feature_names) img=plt.boxplot(iris['sepal length (cm)']) plt.show(img) #### j.Scatter plot #R plot(iris$widthOfSepal,iris$lengthOfSepal) #Python import matplotlib.pyplot as plt import sklearn as sklearn import pandas as pd from sklearn import datasets data = datasets.load_iris() # Convert to Pandas dataframe iris = pd.DataFrame(data.data, columns=data.feature_names) img=plt.scatter(iris['sepal width (cm)'],iris['sepal length (cm)']) #plt.show(img) #### k. Read from csv file #R tendulkar= read.csv("tendulkar.csv",stringsAsFactors = FALSE,na.strings=c(NA,"-")) #Dimensions of dataframe dim(tendulkar) ## [1] 347 13 names(tendulkar) ## [1] "X" "Runs" "Mins" "BF" "X4s" ## [6] "X6s" "SR" "Pos" "Dismissal" "Inns" ## [11] "Opposition" "Ground" "Start.Date" Use pandas.read_csv() for Python #Python import pandas as pd #Read csv tendulkar= pd.read_csv("tendulkar.csv",na_values=["-"]) print(tendulkar.shape) print(tendulkar.columns) ## (347, 13) ## Index(['Unnamed: 0', 'Runs', 'Mins', 'BF', '4s', '6s', 'SR', 'Pos', ## 'Dismissal', 'Inns', 'Opposition', 'Ground', 'Start Date'], ## dtype='object') #### l. Clean the dataframe in R and Python. The following steps are done for R and Python 1.Remove rows with ‘DNB’ 2.Remove rows with ‘TDNB’ 3.Remove rows with absent 4.Remove the “*” indicating not out 5.Remove incomplete rows with NA for R or NaN in Python 6.Do a scatter plot #R # Remove rows with 'DNB' a <- tendulkar$Runs != "DNB"
tendulkar <- tendulkar[a,]
dim(tendulkar)
## [1] 330  13
# Remove rows with 'TDNB'
b <- tendulkar$Runs != "TDNB" tendulkar <- tendulkar[b,] # Remove rows with absent c <- tendulkar$Runs != "absent"
tendulkar <- tendulkar[c,]
dim(tendulkar)
## [1] 329  13
# Remove the "* indicating not out
tendulkar$Runs <- as.numeric(gsub("\\*","",tendulkar$Runs))
dim(tendulkar)
## [1] 329  13
# Select only complete rows - complete.cases()
c <- complete.cases(tendulkar)
#Subset the rows which are complete
tendulkar <- tendulkar[c,]
dim(tendulkar)
## [1] 327  13
# Do some base plotting - Scatter plot
plot(tendulkar$BF,tendulkar$Runs)

#Python
import pandas as pd
import matplotlib.pyplot as plt
#Read csv
tendulkar= pd.read_csv("tendulkar.csv",na_values=["-"])
print(tendulkar.shape)
# Remove rows with 'DNB'
a=tendulkar.Runs !="DNB"
tendulkar=tendulkar[a]
print(tendulkar.shape)
# Remove rows with 'TDNB'
b=tendulkar.Runs !="TDNB"
tendulkar=tendulkar[b]
print(tendulkar.shape)
# Remove rows with absent
c= tendulkar.Runs != "absent"
tendulkar=tendulkar[c]
print(tendulkar.shape)
# Remove the "* indicating not out
tendulkar.Runs= tendulkar.Runs.str.replace(r"[*]","")
#Select only complete rows - dropna()
tendulkar=tendulkar.dropna()
print(tendulkar.shape)
tendulkar.Runs = tendulkar.Runs.astype(int)
tendulkar.BF = tendulkar.BF.astype(int)
#Scatter plot
plt.scatter(tendulkar.BF,tendulkar.Runs)
## (347, 13)
## (330, 13)
## (329, 13)
## (329, 13)
## (327, 13)

#### m.Chaining operations on dataframes

To chain a set of operations we need to use an R package like dplyr. Pandas does this The following operations are done on tendulkar data frame by dplyr for R and Pandas for Python below

1. Group by ground
2. Compute average runs in each ground
3. Arrange in descending order
#R
library(dplyr)
tendulkar1 <- tendulkar %>% group_by(Ground) %>% summarise(meanRuns= mean(Runs)) %>%
arrange(desc(meanRuns))
head(tendulkar1,10)
## # A tibble: 10 × 2
##           Ground  meanRuns
##
## 1         Multan 194.00000
## 2          Leeds 193.00000
## 3  Colombo (RPS) 143.00000
## 4        Lucknow 142.00000
## 5          Dhaka 132.75000
## 6     Manchester  93.50000
## 7         Sydney  87.22222
## 8   Bloemfontein  85.00000
## 9     Georgetown  81.00000
## 10 Colombo (SSC)  77.55556
#Python
import pandas as pd
#Read csv
tendulkar= pd.read_csv("tendulkar.csv",na_values=["-"])
print(tendulkar.shape)
# Remove rows with 'DNB'
a=tendulkar.Runs !="DNB"
tendulkar=tendulkar[a]
# Remove rows with 'TDNB'
b=tendulkar.Runs !="TDNB"
tendulkar=tendulkar[b]
# Remove rows with absent
c= tendulkar.Runs != "absent"
tendulkar=tendulkar[c]
# Remove the "* indicating not out
tendulkar.Runs= tendulkar.Runs.str.replace(r"[*]","")

#Select only complete rows - dropna()
tendulkar=tendulkar.dropna()
tendulkar.Runs = tendulkar.Runs.astype(int)
tendulkar.BF = tendulkar.BF.astype(int)
tendulkar1= tendulkar.groupby('Ground').mean()['Runs'].sort_values(ascending=False)
print(tendulkar1.head(10))
## (347, 13)
## Ground
## Multan           194.000000
## Leeds            193.000000
## Colombo (RPS)    143.000000
## Lucknow          142.000000
## Dhaka            132.750000
## Manchester        93.500000
## Sydney            87.222222
## Bloemfontein      85.000000
## Georgetown        81.000000
## Colombo (SSC)     77.555556
## Name: Runs, dtype: float64

### 9. Functions

product <- function(a,b){
c<- a*b
c
}
product(5,7)
## [1] 35
def product(a,b):
c = a*b
return c

print(product(5,7))

## 35



## Conclusion

Personally, I took to R, much like a ‘duck takes to water’. I found the R syntax very simple and mostly intuitive. R packages like dplyr, ggplot2, reshape2, make the language quite irrestible. R is weakly typed and has only numeric and character types as opposed to the full fledged data types in Python.

Python, has too many bells and whistles, which can be a little bewildering to the novice. It is possible that they may be useful as one becomes more experienced with the language. Also I found that installing Python packages sometimes gives errors with Python versions 2.7 or 3.6. This will leave you scrambling to google to find how to fix these problems. These can be quite frustrating. R on the other hand makes installing R packages a breeze.

Anyway, this is my current opinion, and like all opinions, may change in the course of time. Let’s see!

I may write a follow up post with more advanced features of R and Python. So do keep checking! Long live R! Viva la Python!

Note: This post was created using RStudio’s RMarkdown which allows you to embed R and Python code snippets. It works perfectly, except that matplotlib’s pyplot does not display.