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1 Marcel Dettling, Zurich University of Applied Sciences Applied Statistical Regression AS 2014 – Simple Regression Marcel Dettling Institute for Data Analysis and Process Design Zurich University of Applied Sciences [email protected] http://stat.ethz.ch/~dettling ETH Zürich, September 22, 2014

Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

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Page 1: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

1Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Marcel DettlingInstitute for Data Analysis and Process Design

Zurich University of Applied Sciences

[email protected]

http://stat.ethz.ch/~dettling

ETH Zürich, September 22, 2014

Page 2: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

2Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Your LecturerName: Marcel Dettling

Age: 39 years

Civil Status: Married, 2 children

Education: Dr. Math. ETH

Position: Lecturer @ ETH Zürich and @ ZHAWResearcher in Applied Statistics @ ZHAW

Hobbies: Rock climbing, Ski Touring, Paragliding, …

Page 3: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

3Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Course Organization

Page 4: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

4Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

What is Regression?The answer to an everyday question: How does a target variable of special interest depend onseveral other (explanatory) factors or causes.

Examples:• growth of plants, depends on fertilizer, soil quality, …• apartment rents, depends on size, location, furnishment, … • car insurance premium, depends on age, sex, nationality, …

Regression:• quantitatively describes relation between predictors and target• high importance, most widely used statistical methodology

Page 5: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

5Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Regression Mathematics See blackboard...

Page 6: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

6Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

What is Regression?Example: Fresh Water Tank on Planes

• Earlier: it was impossible to predict the amount of fresh water needed, the tank was always filled to 100% at Zurich airport.

• Goal: Minimizing the amount of fresh water that is carried. This lowers the weight, and thus fuel consumption and cost.

• Task: Modelling the relation between fresh water consumption and # of passengers, flight duration, daytime, destination, …Furthermore, quantifying what is needed as a reserve.

• Method: Multiple linear regression model

Page 7: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

7Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Regression: Goals1) Understanding the relation between and

The aim is to pin down which of the predictors have influence on the response variable, as well as to quantify the strength of thisrelation. There is a battery of statistics and tests that addressthese questions.

2) Prediction

The regression equation can be used for predicting the expectedresponse value for an arbitrary predictor configuration . We will not only generate point predictions, but can also attributea prediction interval that quantifies the involved uncertainty.

y 1,..., px x

1,..., px xy

Page 8: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

8Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Simple RegressionIn this course, we first discuss simple regression, where there is only one single predictor variable. Later, we will extend this to multiple regression, where many predictors can be present.

Advantages of discussing simple regression:

• Visualization of data and fit is possible• Corresponds to estimating a straight line or curve• Is also mathematically simpler and more intuitive

We start out with smoothing, i.e. fitting non-parametric curves. Then, we will proceed with discussing linear models, i.e. the classical parametric regression approach.

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9

Applied Statistical RegressionAS 2014 – Simple Regression

Example: Airline PassengersEach month, Zurich Airport publishes the number of air trafficmovements and airline passengers. We study their relation.

Page 10: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

10Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Example: Airline Passengers

Month Pax ATM

2010-12 1‘730‘629 22‘666

2010-11 1‘772‘821 22‘579

2010-10 2‘238‘314 24‘234

2010-09 2‘139‘404 24‘172

2010-08 2‘230‘150 24‘377

... ... ...19000 20000 21000 22000 23000 24000 25000

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Flughafen Zürich: Pax vs. ATM

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11Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Smoothing

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Pax

Flughafen Zürich: Pax vs. ATMWe may use an arbitrarysmooth function forcapturing the relation bet-ween Pax and ATM.

• It should fit well, but not follow the data tooclosely.

• The question is howthe line/function areobtained.

( )f

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12Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Linear Modeling

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Pax

Flughafen Zürich: Pax vs. ATMA straight line representsthe systematic relationbetween Pax and ATM.

• Only appropriate if thetrue relation is indeeda straight line

• The question is howthe line/function areobtained.

Page 13: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

13Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Smoothing vs. Linear ModelingAdvantages and disadvantages of smoothing:+ Flexibility+ No assumptions are made- Functional form remains unknown- Danger of overfitting

Advantages and disadvantages of linear modelling:+ Formal inference on the relation is possible+ Better efficiency, i.e. less data required- Only reasonable if the relation is linear- Might falsely imply causality

Page 14: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

14Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

SmoothingOur goal is visualizing the relation between the / responsevariable Pax and the / predictor variable ATM.

we are not after a functional description of

Since there is no parametric function that describes the responsevs. predictor relation, smoothing is also termed non-parametricregression analysis.

Method/Idea: "Running Mean"- take a window of x-values- compute the mean of the y-values within the window- this is an estimate for the function value at the window center

( )f

Yx

Page 15: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

15Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Running Mean: Example

2 4 6 8 10

510

1520

25

Running Mean Example

xx

yy

5.556.31

7.68

11.07

13.62

15.59

17.96 18.18

21.44 21.83

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16Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Running Mean: MathematicsRunningMean(x) = Mean of y-values over a window with

width around .

The estimate for , denoted as , is defined as follows:

,

The weights are defined as , and is the window width.

( )f ˆ ( )f

1 | | / 20

ji

if x xw

else

/ 2

1

1

ˆ ( )

n

i ii

n

ij

w yf x

w

x

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17Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Running Mean: R-Implementation• As an introductory exercise, it is instructive to code a function

that computes and visualizes the running mean.Arguments: xx= x values

yy= y valueswidth= window widthsteps= # of points computed

• Alternatively, one can simply use function ksmooth(). The window size can be adjusted by argument bandwidth=. Some other settings can be made, especially with respectto evaluation.

We will now study the running mean fit...

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18Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Running Mean: R-Implementation

Page 19: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

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Zurich Airport Data: Pax vs. ATM / Bandwidth=1000, x.points=ATM

19Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Running Mean: Unique Data> fit <- ksmooth(ATM, Pax, kernel="box", bandwidth=1000,…)> lines(fit, col="red", lwd=2)

Page 20: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

20Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Running Mean: Unique Data> fit <- ksmooth(ATM, Pax, kernel="box", n.points=1000,…)> lines(fit, col="red", lwd=2)

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Zurich Airport Data: Pax vs. ATM / Bandwidth=1000, n.points=1000

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21Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Running Mean: Drawbacks• The finer grained the evaluation points are, the less smooth

the fitted function turns out to be. This is unwanted. Reason: datapoints are "lost" abruptly.

• For large window width, we loose a lot of information on theboundaries. For small windows however, we may have toofew points withing the window, and thus instability.

There are much better smoothing algorithms!

We will introduce:a) a Gaussian Kernel Smoother, andb) the robust LOESS-Smoother

Page 22: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

22Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Gaussian Kernel SmootherKernelSmoother(x) = Gaussian bell curve weighted average

of y-values around x.

The estimate for , denoted as , is defined as:

,

The weights are defined as: , i.e.the window is infinitely wide,but distant observation obtain little weight.

( )f ˆ ( )f

2( )exp j

j

x xw

1

1

ˆ ( )

n

j jj

n

jj

w yf x

w

Page 23: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

23Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Gaussian Kernel Smoother: Idea

2 4 6 8 10

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Gaussian Kernel Smoothing

xx

yy

5.556.31

7.68

11.07

13.62

15.59

17.96 18.18

21.44 21.83

Page 24: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

24Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Gaussian Kernel Smoother: Unique Data> ks.gauss <- ksmooth(ATM, Pax, kernel="normal", band=1000)> plot(ATM, Pax, xlab="ATM", ylab="Pax", pch=20)> lines(ks.gauss, col="darkgreen", lwd=1.5)

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Zurich Airport Data: Pax vs. ATM / Bandwidth=1000, n.points=1000

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25Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

LOESS-SmootherThe LOESS-Smoother is better, more flexible and more robust than the Gaussian Kernel Smoother. It should be prefered!

It works as follows:

1) Choose a window of fixed width

2) For this window, a straight line (or a parabola) is fitted to the datapoints within, using a robust fitting method.

3) Predicted value at window center := fitted value

4) Slide the window over the entire x-range

Page 26: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

26Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

LOESS-Smoother: Idea

2 4 6 8 10

510

1520

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LOESS Smoothing

xx

yy

5.556.31

7.68

11.07

13.62

15.59

17.96 18.18

21.44 21.83

Page 27: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

27Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

LOESS-Smoother: R-Implementation

Page 28: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

28Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

LOESS-Smoother: Unique Data> smoo <- loess.smooth(unique2010$ATM, unique2010$Pax)> plot(Pax ~ ATM, data=unique2010, main=...)> lines(smoo, col="blue")

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Loess-Glätter: Default-Einstellung

Page 29: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

29Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Linear Modeling

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Pax

Flughafen Zürich: Pax vs. ATMA straight line representsthe systematic relationbetween Pax and ATM.

• Only appropriate if thetrue relation is indeeda straight line

• The question is howthe line/function areobtained.

Page 30: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

30Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Simple Linear RegressionThe more air traffic movements, the more passengers there are. The relation seems to be linear, which is of course also themathematically most simple way of describing the relation.

, resp.

Name/meaning of the two "Intercept"parameters in the equation: "Slope"

Fitting a straight line into a 2-dimensional scatter plot is knownas simple linear regression. This is because: • there is just one single predictor variable ("simple").• the relation is linear in the parameters ("linear").

1( ) of x x

0 1

0 1Pax ATM

Page 31: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

31Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Model, Data & Random ErrorsNo we are bringing the data into play. The regression line will not run through all the data points. Thus, there are random errors:

, for all

Meaning of variables/parameters:is the response variable (Pax) of observation .is the predictor variable (ATM) of observation .are the regression coefficients. They are unknownpreviously, and need to be estimated from the data.is the residual or error, i.e. the random difference bet-ween observation and regression line.

0 1i i iy x E

ixiy

iE

0 1,

1,...,i n

ii

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32Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Least Squares Fitting http://demonstrations.wolfram.com/LeastSquaresCriteriaForTheLeastSquaresRegressionLine/

We need to fit a straightline that fits the data well.

Many possible solutionsexist, some are good, some are worse.

Our paradigm is to fit theline such that the squarederrors are minimal.

Page 33: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

33Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Residuals vs. ErrorsThe residual is the difference between the observedand the fitted y-value for the ith observation. While the error is a concept and random variable, the residuals are numerical values

Illustration of the residuals

x

( , )i ix y0 1

ˆ ˆ x

ir0 1

ˆ ˆˆ( , )i i ix y x

y The paradigm remains to fit a straight line such that thesum of squared residuals isminimized: 2

1min

n

ii

r

ˆi i ir y y

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34Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Least Squares: MathematicsThe paradigm in verbatim...

Given a set of data points , the goal is to fit theregression line such that the sum of squared differencesbetween observed value and regression line is minimal. The function

measures, how well the regression line, defined by , fitsthe data. The goal is to minimize this "quality function".

Solution: see next slide...

2 2 20 1 0

1 1 1

ˆ( , ) ( ) ( ( )) min!n n n

i i i i ii i i

Q r y y y x

1,...,( , )i i i nx y

0 1,

iy

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35Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Solution Idea: Partial Derivatives• We are taking partial derivatives on the function with

respect to both arguments and . As we are after theminimum of the function, we set them to zero:

and

• This results in a linear equation system, which (here) has twounknowns , but also two equations. These are also known under the name normal equations.

• The solution for can be written explicitly as a function ofthe data pairs , see next slide...

00 1( , )Q

1

0

0Q

1

0Q

0 1, 1,...,( , )i i i nx y

0 1,

Page 36: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

36Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Least Squares: SolutionAccording to the least squares paradigm, the best fittingregression line is, i.e. the optimal coefficients are:

and

• For a given set of data points , we can determinethe solution with a pocket calculator (...or better, with R).

• The solution for our example Pax vs. ATM:obtained from

> lm(Pax ~ ATM, data=unique2010)

11

2

1

( )( )ˆ

( )

n

i ii

n

ii

x x y y

x x

1,...,( , )i i i nx y

0 1ˆ ˆy x

1 0ˆ ˆ138.8, 1'197'682

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Applied Statistical RegressionAS 2014 – Simple Regression

Why Least Squares?History...

Within a few years (1801, 1805), the method was developedindependently by Gauss and Legendre. Both were after solvingapplied problems in astronomy...Source: http://de.wikipedia.org/wiki/Methode_der_kleinsten_Quadrate

Carl Friedrich Gauss

Marcel Dettling, Zurich University of Applied Sciences

Adrien-Marie Legendre

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Applied Statistical RegressionAS 2014 – Simple Regression

Why Least Squares?Mathematics...

• Least Squares is simple in the sense that the solution isknown in closed form as a function of .

• The line runs through the center of gravity

• The sum of residuals adds up to zero:

• Some deeper mathematical optimality can be shown whenanalyzing the large sample properties of the estimatesThis is especially true under the assumption of normallydistributed errors .

Marcel Dettling, Zurich University of Applied Sciences

1,...,( , )i i i nx y

( , )x y

1

0n

ii

r

0 1ˆ ˆ,

iE

Page 39: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

39Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Fitted ValuesThe estimated parameters can be used for determiningthe fitted values . Please note that mathematically, this is a conditional expected value::

In R, the fitted values are obtained as follows:

> fit <- lm(Pax ~ ATM, data=unique2010)> fitted(fit)

1 2 3 4 5 1654841 1808312 2165068 2156465 2184911

6 7 8 9 ... 2250545 2108731 2062107 1493184 ...

0 1ˆ ˆ,

y

0 1ˆ ˆˆ [ | ]y E y x x

Page 40: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

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Zurich Airport Data: Pax vs. ATM

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Applied Statistical RegressionAS 2014 – Simple Regression

Drawing the Regression Line> plot(Pax ~ ATM, data=unique2010, pch=20)> title("Zurich Airport Data: Pax vs. ATM")> abline(fit, col="red", lwd=2)

0 1ˆ ˆy x

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Applied Statistical RegressionAS 2014 – Simple Regression

Is This a Good Model for Predicting thePax Number from the ATM?a) Beyond the range of observed dataUnknown, but most likely not...

b) Within the range of observed dataYes, under the following conditions:- the relation is in truth a straight line, i.e. - the scatter of the errors is constant, i.e. - the errors are uncorrelated (from a representative sample)- the errors are approximately normally distributed

Fodder for thougt: 9/11, SARS, Eyjafjallajökull...?Marcel Dettling, Zurich University of Applied Sciences

[ ] 0iE E 2( )iVar E

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Applied Statistical RegressionAS 2014 – Simple Regression

Model DiagnosticsFor assessing the quality of the regression line, we need to(at least roughly) check whether the assumptions are met:

and can be reviewed by:[ ] 0iE E 2( )iVar E

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-1e+

05-5

e+04

0e+0

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+04

ATM

Res

idua

ls

Residuals vs. Predictor ATM

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-1e+

05-5

e+04

0e+0

05e

+04

Fitted

Res

idua

ls

Residuals vs. Fitted Values

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Applied Statistical RegressionAS 2014 – Simple Regression

Model DiagnosticsFor assessing the quality of the regression line, we need to(at least roughly) check whether the assumptions are met:Gaussian distribution can be reviewed by:

We will revisit model diagnosticsagain later in this course, whereit will be discussed more deeply.

"Residuals vs. Fitted" and the"Normal Plot" will always stay atthe heart of model diagnostics.

-2 -1 0 1 2

-1e+

050e

+00

5e+0

4

Normal Q-Q Plot

Theoretical Quantiles

Sam

ple

Qua

ntile

s

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44Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Gauss-Markov-TheoremA mathematical optimality result for the Least Squares line

It only holds if the following conditions are met:

- the relation is in truth a straight line, i.e. - the scatter of the errors is constant, i.e. - the errors are uncorrelated, i.e.

Not explicitly (but implicitly) required:- the errors are normally distributed:

Gauss-Markov-Theorem:- Least Squares yields the best linear unbiased estimates

[ ] 0iE E 2( )iVar E

( , ) 0,i jCov E E if i j

2~ (0, )i EE N

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45Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Properties of the Least Square EstimatesUnder the conditions above, the estimates are unbiased:

and

The variances of the estimates are as follows:

and

Precise estimates are obtained with:- a large number of observations- a good scatter in the predictor- an informative/useful predictor, making small- (an error distribution which is approximately Gaussian)

0 0ˆ[ ]E 1 1

ˆ[ ]E

20 2

1

1ˆ( )( )

E nii

xVarn x x

2

1 21

ˆ( )( )

En

ii

Varx x

nix

2E

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46Marcel Dettling, Zurich University of Applied Sciences

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Estimating the Error VarianceBesides the regression coefficients, we also need to estimate the error variance. It is a necessary ingredient for all tests and confidence intervals that will be discussed shortly.

The estimate is based on the residual sum of squares (RSS):

In R, the regression summary provides the estimate for theerror’s standard deviation as Residual standard error:

> summary(fit)...Residual standard error: 59700 on 22 degrees of freedom

2 2 2

1 1

1 1ˆ ˆ( )2 2

n n

E i i ii i

y y rn n

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47Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Benefits of Linear Regression• Inference on the relation between and

The goal is to understand if and how strongly the responsevariable depends on the predictor. There are performanceindicators as well as statistical tests adressing the issue.

• Prediction of (future) observations

The regression line/equation can be employed to predictthe PAX number for any given ATM value.

However, this mostly will not work well for extrapolation!

0 1ˆ ˆy x

y x

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19000 20000 21000 22000 23000 24000 250001400

000

1800

000

2200

000

Flugbewegungen

Pax

Flughafen Zürich: Pax vs. ATM

48Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

: The Coefficient of Determination The coefficient of determination is also known as multipleR-squared. It tells which portion of the total variation isaccounted for by the regression line.

2R2R

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49Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Computation ofis the portion of the total variation that is explained through

regression. It is determined as one minus the quotient of theyellow arrow divided by the blue arrow.

The closer to 1 the value is, the tighter the datapoints arepacked around the regression line. However, there are noformal criteria which value needs to be met such thatthe regression can be said to be useful/valid.

2R

2

2 1

2

1

ˆ( )1 [0,1]

( )

n

i ii

n

ii

y yR

y y

2R

2R

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50Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Confidence Interval for the SlopeA 95%-CI for the slope tells which values (besidesthe point estimate ) are plausible, too. The uncertaintyis due to estimation/sampling effects.

95%-CI for : , resp.

In R: > fit <- lm(Pax ~ ATM, data=unique2010)> confint(fit, "ATM")

2.5 % 97.5 %ATM 124.4983 153.025

1

11 0.975; 2ˆ ˆnqt

1

2 21 0.975; 2 1ˆ ˆ ( )n

n E iiqt x x

1

1

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51Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Testing the SlopeThere is a statistical hypothesis test which can be used to check whether the slope is significantly different from zero, or any otherarbitrary value . The null hypothesis is:

, resp.

One usually tests two-sided on the 95%-level. The alternative is:

, resp.

As a test statistic, we use:

, resp. , , both have a distribution.

1

0 1: 0H 0 1:H b

b

1: 0AH 1:AH b

2nt 0 1

1

1: 0

ˆ

ˆ

ˆHT

0 1

1

1:

ˆ

ˆ

ˆH bbT

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52Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Reading R-Output> summary(lm(Pax ~ ATM, data=dat))

Call: lm(formula = Pax ~ ATM, data = dat)

Residuals: Min 1Q Median 3Q Max -104188 -40885 2099 48588 89154

Coefficients: Estimate Std. Error t value Pr(>|t|) (Intercept) -1.198e+06 1.524e+05 -7.858 7.94e-08 ***ATM 1.388e+02 6.878e+00 20.176 1.11e-15 ***

---

Residual standard error: 59700 on 22 degrees of freedomMultiple R-squared: 0.9487, Adjusted R-squared: 0.9464 F-statistic: 407.1 on 1 and 22 DF, p-value: 1.110e-15

Will be explained in detail on the blackboard!

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53Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Testing the SlopePractical Example:

Use the Pax vs. ATM data and perform a statistical test for thenull hypothesis . The information from the summaryon slide 25 can be used as a basis. Then, also answer:

a) Explain in colloquial language what was just tested. What isthe benefit of this test? What claims could motivate the test?

b) How does the testing result relate with the 95%-CI that wecomputed on slide 23? Would we be able to tell the testresults from the CI alone?

See blackboard for the answers

1

0 1: 150H

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54Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Testing the InterceptAn analogous test can be done for the intercept.

• No matter what the test result will be, the intercept shouldgenerally not be omitted from the regression model.

• The presence of the intercept protects against possiblenon-linearities and calibration errors of measurementdevices. If it is kicked out of the model, the results aregenerally worse.

• If theory dictates that there should not be an intercept butit is still significant, take this as evidence that the linear relation does not hold when extrapolating to .

0

0x

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55Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

PredictionUsing the regression line, we can predict the -value for any desired -value. The result is the expectation for given .

a.k.a. "fitted value"

Example: With 24’000 air traffic movements, we expect

Passengers

Be careful:

At best, interpolation within the range of observed -values is trustworthy. Extrapolation with ATM values such as 50’000, 5'000 or even 0 usually produces completely useless results.

0 1ˆ ˆˆ[ | ]E y x y x

1'197'682 24 '000 138.8 2'133'518

yx

x

y x

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56Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Prediction with RWe can use the regression fit object for prediction. The syntax for obtaining the fitted value(s) is as follows:

> fit <- lm(Pax ~ ATM, data=unique2010)> dat <- data.frame(ATM=c(24000)) > predict(fit, newdata=dat)1 2132598

The -values need to be provided in a data frame, where thevariable/column name is identical to the predictor name.

Then, the predict() procedure is invoked with the regressionfit and the new -values as arguments.

x

x

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57Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Confidence Interval forWe just computed the fitted value , i.e. the expectednumber of passengers for 24'000 ATMs. This is not a deter-ministic value, but an estimate that is subject to variability.

A 95%-CI for the fitted value at position is given by:

In R: > predict(fit, newdata=dat, interval="confidence")fit lwr upr

1 2132598 2095450 2169746

2

0 1 0.975; 2 21

1 ( )ˆ ˆ ˆ( )

n E nii

x xx qtn x x

[ | ]E y x0 1

ˆ ˆ x

x

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58Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Prediction Interval forThe confidence interval for tells about the variabilty ofthe fitted value. It does not account for the scatter of the datapoints around the regression line and thus does not define a region where we have to expect the observed value. A 95% prediction interval at position is given by:

In R: > predict(fit,newdata=dat,interval="prediction")fit lwr upr

1 2132598 2003343 2261853

y

x2

0 1 0.975; 2 21

1 ( )ˆ ˆ ˆ 1( )

n E nii

x xx qtn x x

[ | ]E y x

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59Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Confidence and Prediction Interval

19000 20000 21000 22000 23000 24000 250001400

000

1800

000

2200

000

ATM

Pax

Pax vs. ATM with Confidence and Prediction Interval

ConfidencePrediction

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60Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Confidence and Prediction IntervalNote:

Visualizing the confidence and prediction intervals in R isnot straightforward, but requires some tedious handwork.

R-Hints:

dat <- data.frame(ATM=seq(...,..., length=200))pred <- predict(fit, newdata=dat, interval=...)plot(..., ..., main="...")lines(dat$ATM, pred[,2], col=...)lines(dat$ATM, pred[,3], col=...)

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61Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Model ExtensionsSo far, simple linear regression was considered as fitting a straight line into a -scatterplot. While this is correct, it doesnot reflect the full potential of linear regression. With creativeuse of variable transformations, many more possibilites open.

Example: Automobile Braking Distance

We have data from 26 test drives with differing speed. The goalwas to estimate the braking behavior of a certain type of tires. The data are displayed on the next slide…

xy

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62Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Braking Distance: Dataobs speed brdist

1 19.96 1.602 24.97 2.543 26.97 2.814 32.14 3.585 35.24 4.596 39.87 6.117 44.62 7.918 48.32 8.769 52.18 10.12

10 55.72 11.6211 59.44 13.5712 63.56 15.45... ... ...

24 111.97 51.0925 115.88 50.6926 120.35 57.77

20 40 60 80 100 120

010

2030

4050

60

Speed [km/h]

Bra

king

Dis

tanc

e [m

]

Braking Distance vs. Speed

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63Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Braking Distance: Fitting a Straight Line

20 40 60 80 100 120

010

2030

4050

60

Speed [km/h]

Bra

king

Dis

tanc

e [m

]

Braking Distance vs. Speed

0 10 20 30 40 50

-4-2

02

46

8

fitted(fit.straight)

resi

d(fit

.stra

ight

)

Tukey-Anscombe Plot

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Braking Distance: FactsConclusions from the residual plots:

• The straight line has a systematic error and does not reflectthe true relation between speed and braking distance. Fromphysics, we know that a parabola is more appropriate.

resp. , where

• Please note that this is a simple linear regression problem. There is only one single predictor and the coefficientscan and need to be estimated with the LS algorithm bytaking partial derivatives and setting them to zero.

64Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

20 1i i iDistance Speed E

0 1ˆ ˆ,

0 1i i iy x E 2 2i i ix x Speed

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65Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Braking Distance: Distance vs. Speed^2> fit <- lm(weg ~ I(speed^2))

0 4000 8000 12000

010

2030

4050

60

Braking Distance vs. Speed^2

Speed [km/h] 2

Bra

king

Dis

tanc

e [m

]

20 40 60 80 100 120

010

2030

4050

60

Braking Distance vs. Speed

Speed [km/h]

Bra

king

Dis

tanc

e [m

]

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66Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Curvilinear RegressionSimple linear regression offers more than fitting straight lines!We can fit any curvilinear relation with the LS algorithm. Someexamples include:

We are using , , bzw. . In this form, it isobvious that all these are simple linear regression problems thatcan be solved via LS. BUT... see next slide

0 1 ln( )i i iy x E

0 1i iy x E 1

0 1i iy x E

ln( )i ix x i ix x 1( )i ix x

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Braking Distance: RemarksCurvilinear Models are often inadequate in practice:

• In our braking distance example, we should also considerthe reaction time. This is a multiple regression model:

• Often, the variance/scatter of the errors is non-constant.In many examples, it increases with increasing.

• In many applications, the polynomial degree is not dictated by theorie, but needs to be estimated, too:

67Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

20 1 2i i i iDistance Speed Speed E

20 1i iy x E

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0 1000 2000 3000 4000 5000

010

020

030

040

0

income

infa

nt

Infant Mortality vs. Per-Capita Income

68Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Infant Mortality vs. Per-Capita Income

Does a curvilinear regression

solve the regression problem ???

10 1i iy x E

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69Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

The Fitted Hyperbolic Regression Line

0 1000 2000 3000 4000 5000

010

020

030

040

0

income

infa

nt

Infant Mortality vs. Per-Capita Income

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70Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Residuals from Hyperbolic Fit

0 1000 2000 3000 4000 5000

-100

050

150

Income

Res

idua

ls

Residuals vs. Predictor

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71Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

The Problem and the SolutionThe hyperbolic fit shows some systematic error and is not thecorrect relation between mortality and income. We could try toestimate a power law such as:

However, this problem is non-linear in the parameter andcannot be solved with the LS algorithm. Moreover, the errorvariance is non-constant.

A simple yet very useful trick solves the problem:

For details, see the next slide and the blackboard...

20 1i i iy x E

2

log( ), log( )i i i iy y x x

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72Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

The Log-Transformation Helps!

4 5 6 7 8

34

56

log(income)

log(

infa

nt)

log(infant) vs. log(income)

2.5 3.0 3.5 4.0 4.5 5.0

-1.5

-0.5

0.0

0.5

1.0

1.5

fitted(fit)

resi

d(fit

)

Residuals vs. Fitted Values

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73Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Model and CoefficientsIf a straight line is fitted on the log-log-scale,

, where ,

this means fitting the following relation on the original scale:

The meaning of the parameter is as follows:

If , i.e. the income increases by 1%, then , i.e. the mortalitydecreases by . In other words: characterizes therelative change in per unit of relative change in .

10y x E

log( ), log( )y y x x 0 1y x E

1

x1 0.56% 1

y

y x

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74Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

The Fitted Relation

0 1000 2000 3000 4000 5000

010

020

030

040

0

income

infa

nt

Infant Mortality vs. Per-Capita Income

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75Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Fitted Values and Intervals• For predicting the y-value on the original scale, we can just

re-exponentiate to invert the log-transformation and hence:

• Beware: this is an estimate of the conditional median, but not the conditional mean . If we require unbiasedestimation, we need to use a correction factor :

• The confidence and prediction intervals are easy:

ˆ ˆexp( )y y

2ˆ ˆ ˆexp( / 2)Ey y

[ , ]l u [exp( ),exp( )]l u

[ | ]E y x

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Conditional Mean and Median

76Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

0 1000 2000 3000 4000 5000

010

020

030

040

0

income

infa

nt

Infant Mortality vs. Per-Capita Income

meanmedian

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Confidence and Prediction Interval

77Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

0 1000 2000 3000 4000 5000

010

020

030

040

0

income

infa

nt

Infant Mortality vs. Per-Capita Income

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78Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Another Example: Daily Cost in Rehab

0 10 20 30 40 50

050

015

0025

00

ADL

Dai

ly C

ost

Daily Cost in Rehab vs. ADL

400 600 800 1000

-500

050

015

00

fitted(fit)

resi

d(fit

)

Residuals vs. Fitted Values

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79Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Logged Response ModelWe transform the response variable and try to explain it usinga linear model with our previous predictors:

In the original scale, we can write the logged response model using the same predictors:

Multiplicative model

, and thus, has a lognormal distribution

0 1log( )y y x E

0 1exp( ) exp( ) exp( )y x E

2~ (0, )EE N exp( )E

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80Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Fit and Residuals after the Transformation

0 10 20 30 40 50

56

78

ADL

log(

cost

)

log(cost) vs. ADL

5.8 6.0 6.2 6.4 6.6 6.8 7.0

-1.5

-0.5

0.5

1.0

1.5

fitted(fit.log)

resi

d(fit

.log)

Residuals vs. Fitted Values

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81Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Original Scale: Fit and Prediction Interval

-3 -2 -1 0 1 2 3

-1.5

-0.5

0.5

1.0

1.5

Normal Plot

Theoretical Quantiles

Sam

ple

Qua

ntile

s

0 10 20 30 40 50

050

015

0025

00

ADL

Dai

ly C

ost

Daily Cost vs. ADL-Score

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82Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Interpretation of the CoefficientsImportant: There is no back transformation for the coefficients

to the original scale, but still a good interpretation

An increase by one unit in would multiply the fitted valuein the original scale with .

Coefficients are interpreted multiplicatively!

0 1

0 1

log( )exp( )exp( )exp( )

y x Ey x E

x1exp( )

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83Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

When to Transform?We have seen a few examples where a log-transformationof the response and/or the predictor yields a better fit. Some general rules about when to apply it:

• If the values are on a scale, that is left-closed (with 0 asthe smallest possible value), but is open on the right.

• If the marginal distribution of the variable (as we canobserve in a histogram) is clearly right-skewed.

• If the scatter, i.e. the magnitude of the uncertainty, increases with increasing value – be this due to theoreticalconsiderations, or due to evidence in the data.

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84Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Transformations: Lynx Data

Lynx Trappings

Time

# of

Lyn

x Tr

appe

d

1820 1840 1860 1880 1900 1920

020

0040

0060

00

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85Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Transformations: Lynx Data

Histogram of lynx

lynx

Freq

uenc

y

0 2000 4000 6000

010

2030

4050

60

-2 -1 0 1 2

020

0040

0060

00

Normal Q-Q Plot

Theoretical Quantiles

Sam

ple

Qua

ntile

s

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What to do if y=0 and/or x=0?• We can only take logarithms if . In cases where the

response and/or predictor takes negative values, we shouldnot log-transform. If zero's occur, they need treatment.

• What do we do with either or ? - do never exclude such data points!- adding a constant value is allowed!

• What about the choice of the constant?- standard choice: - scale dependent, thus not recommended!

Set smallest value !

86Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

, 0x y

0x 0y

1c

c 0

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87Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Zurich Airport Data: Re-EvaluationBoth Pax and ATM are variables that only take values .In our example, we do not observe any right-skewness, but we still try to apply the log-transformation:

It also has the advantage that the fit goes through (0/0). > fit <- lm(Pax ~ ATM, data=unique2010)> fit.log <- lm(log(Pax) ~ log(ATM), data=unique2010)> fit.y.orig <- exp(fitted(fit.log)[order(unique2010$ATM)])> plot(Pax ~ ATM, data=unique2010, pch=20)> lines(sort(unique2010$ATM), fit.y.orig, col="blue")> abline(fit, col="red")

The difference in the fitted line is only small, but important!

0

log( ), log( )ATM ATM Pax Pax

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88Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Zurich Airport Data: Re-Evaluation

19000 21000 23000 250001400

000

1800

000

2200

000

ATM

Pax

Zurich Airport Data: Pax vs. ATM

w/o trsfwith trsf

We estimate . If ATM increases by 1%then Pax will increase by1.655%.

This reflects that duringhigh season, bigger air-planes are used, and theseat load factor is better.

1 1.655

Page 89: Marcel Dettling - ETH Z · Marcel Dettling, Zurich University of Applied Sciences 6 Applied Statistical Regression AS 2014 – Simple Regression What is Regression? Example: Fresh

89Marcel Dettling, Zurich University of Applied Sciences

Applied Statistical RegressionAS 2014 – Simple Regression

Comparing the Residual Plots

19000 21000 23000 25000

-1e+

050e

+00

5e+0

4

ATM

Res

idua

ls

W/o Transformation

9.85 9.95 10.05

-0.0

40.

000.

04

log(ATM)

Res

idua

ls

With Transformation