LeastSquares
LeastSquares
DefinitionandDerivations
Wehavealreadyspentmuchtimefindingsolutionsto
Ax=b
Ifthereisn'tasolution,weattempttoseekthexthatgetsclosesttobeingasolution.Theclosestsuchvector
willbethexsuchthat
Ax=projWb
whereWisthecolumnspaceofA.
NoticethatbprojWbisintheorthogonalcomplementofWhenceinthenullspaceofAT.Henceifxisathis
closestvector,then
AT(bAx)=0ATAx=ATb
NowweneedtoshowthatATAnonsingularsothatwecansolveforx.
Lemma
IfAisanmxnmatrixofrankn,thenATAisnonsingular.
Proof
WewanttoshowthatthenullspaceofATAiszero.If
0=ATAx
thenmultiplyingbothsidesbyxT,weget
0=xTATAx=(Ax)TAx=Ax.Ax=||Ax||2
Ifthemagnitudeofavectoriszero,thenthevectoriszero,hence
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Ax=0
Since
rank(A)=n
wecanconcludethat
x=0
Wecannowstatethemaintheorem.
Theorem
LetAbeanmxnmatrixorrankn,thenthesystem
Ax=b
hastheuniqueleastsquaressolution
x=(ATA)1ATb
Examples
Example
Findtheleastsquaressolutionto
Ax=b
with
Solution
WecanquicklycheckthatAhasrank2(thefirsttworowsarenotmultiplesofeachother).Hencewecan
compute
Noticethat
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notexactlyb,butascloseaswearegoingtoget.
LeastSquaresRegressionLine
Offundamentalimportanceinstatisticalanalysisisfindingtheleastsquaresregressionline.
Example
Anengineeristrackingthefrictionindexovermileageofabreakingsystemofavehicle.Sheexpectsthatthe
mileagefrictionrelationshipisapproximatelylinear.Shecollectsfivedatapointsthatareshowinthetable
below.
Mileage
FrictionIndex
2000
20
6000
18
20,000
10
30,000 40,000
6
2
Thegraphbelowshowsthesepoints
Weareinterestedinthelinethatbestfitsthedata.Morespecifically,ifbisthevectoroffrictionindexdata
valuesandyisthevectorconsistingofyvalueswhenwepluginthemileagedataforxandfindybythe
equationoftheline,thenwewantthelinethatminimizesthedistancebetweenbandy.Iftheequationofthe
lineis
ax+b=y
thenwegetthefiveequations
2a+b=20
6a+b=18
20a+b=10
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30a+b=6
40a+b=2
Thecorrespondingmatrixequationis
Ax=b
or
Althoughthisdoesnothaveanexactsolution,itdoeshaveaclosestsolution.Wehave
Wecanconcludethattheequationoftheregressionlineis
y=0.48x+20.6
BestFittingCurves
Often,alineisnotthebestmodelforthedata.Fortunatelythesametechniqueworksifwewanttouseother
nonlinearcurvestofitthedata.Herewewillexplainhowtofindtheleastsquarescubic.Theprocessforother
polynomialsissimilar.
Example
Abioengineerisstudyingthegrowthofageneticallyengineeredbacteriacultureandsuspectsthatisit
approximatelyfollowsacubicmodel.Hecollectssixdatapointslistedbelow
Timein
Days
Grams
2.1
3.5
4.2
3.1
4.4
6.8
Heassumestheequationhastheform
ax3+bx2+cx+d=y
Thisgivessixequationswithfourunknowns
a+b+c+d=2.1
8a+4b+2c+d=3.5
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27a+9b+3c+d=4.2
64a+16b+4c+d=3.1
125a+25b+5c+d=4.4
216a+36b+6c+d=6.8
Thecorrespondingmatrixequationis
Wecanusetheleastsquaresequationtofindthebestsolution
Sothatthebestfittingcubicis
y=0.2x32.0x2+6.1x2.3
Thegraphisshownbelow
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