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1

V. Linear & Nonlinear Least-Squares

V.0.Examples, linear/nonlinear least-squares

V.1.Linear least-squares

V.1.1.Normal equations

V.1.2.The orthogonal transformation method

V.2.Nonlinear least-squares

V.2.1.Newton method

V.2.2.Gauss-Newton method

V. Linear & Nonlinear Least-Squares

2

V.0. Examples, linear/nonlinear least-squares

In practice, one has often to determine unknown parameters of agiven function (from natural laws or model assumptions) through aseries of measurements.

Usually the number of measurements m is much bigger than thenumber of parameters n, i.e.

Measurement

Time

Quantity

Model: Goal: Find1

2

V. Linear & Nonlinear Least-Squares

3

V.0. Examples, linear/nonlinear least-squares

In practice, one has often to determine unknown parameters of agiven function (from natural laws or model assumptions) through aseries of measurements.

Usually the number of measurements m is much bigger than thenumber of parameters n, i.e.

Measurement

Time

Quantity

Model: Goal: Find1

2

Problem: more equations than unknowns! … overdetermined

V. Linear & Nonlinear Least-Squares

4

V.0. Examples, linear/nonlinear least-squares

Goal: Find1

Data:

Linear in model parameters!

Model:

V. Linear & Nonlinear Least-Squares

5

V.0. Examples, linear/nonlinear least-squares

1

Data:

JUSTNOTATION!

Goal: Find

Linear in model parameters!

Model:

V. Linear & Nonlinear Least-Squares

6

V.0. Examples, linear/nonlinear least-squares

● Idea: choose the parameters such that thedistance between the data and the curve isminimal, i.e. the curve that fits best.

V. Linear & Nonlinear Least-Squares

7

V.0. Examples, linear/nonlinear least-squares

● Idea: choose the parameters such that thedistance between the data and the curve isminimal, i.e. the curve that fits best.

Model: 1

V. Linear & Nonlinear Least-Squares

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V.0. Examples, linear/nonlinear least-squares

● Idea: choose the parameters such that thedistance between the data and the curve isminimal, i.e. the curve that fits best.

MINIMIZE!

V. Linear & Nonlinear Least-Squares

9

V.0. Examples, linear/nonlinear least-squares

● Idea: choose the parameters such that thedistance between the data and the curve isminimal, i.e. the curve that fits best.

● Least squares solution:

Euclidean distance,a.k.a. 2-normDomain of valid parameters

(from application!)

V. Linear & Nonlinear Least-Squares

10

V.0. Examples, linear/nonlinear least-squares

Model: Goal: Find2

Data:

Nonlinear in model parameters!

JUSTNOTATION!

V. Linear & Nonlinear Least-Squares

11

V.0. Examples, linear/nonlinear least-squares

● Idea: choose the parameters such that thedistance between the data and the curve isminimal, i.e. the curve that fits best.

V. Linear & Nonlinear Least-Squares

12

V.0. Examples, linear/nonlinear least-squares

● Idea: choose the parameters such that thedistance between the data and the curve isminimal, i.e. the curve that fits best.

MINIMIZE!

V. Linear & Nonlinear Least-Squares

13

V.0. Examples, linear/nonlinear least-squares

● General problem:

Lin

ear

No

nlin

ear

In parameters!

measurements parameters

Overdetermined!

usually...

V. Linear & Nonlinear Least-Squares

14

V.0. Examples, linear/nonlinear least-squares

● Least squares solution:

● Define scalar-valued function

● Least squares solution:

Linear

Nonlinear

Linear

Nonlinear

V. Linear & Nonlinear Least-Squares

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V.0. Examples, linear/nonlinear least-squares

● Quiz: linear or nonlinear model?

1)

2) Model parameters:

Model parameters:

V. Linear & Nonlinear Least-Squares

16

V.0. Examples, linear/nonlinear least-squares

● Quiz: linear or nonlinear model?

1)

2) Model parameters:

Model parameters:

V. Linear & Nonlinear Least-Squares

17

V.0. Examples, linear/nonlinear least-squares

● General problem: measurements parameters

Overdetermined!

Least squares solution:

Assumption: has full column rank (linearly indep.)

V. Linear & Nonlinear Least-Squares

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● Least squares solution:

● Rewrite: Transpose!

Scalar!

~

~

V.1.1. Normal equations

V. Linear & Nonlinear Least-Squares

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● Gradient of

must vanish at extremum (min/max):

Gradient

(Gauss') Normal equations

Nothing difficult…

~

V.1.1. Normal equations

V. Linear & Nonlinear Least-Squares

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● Necessary condition:

● Is it a minimum?We have to make sure that the matrix ispositive definite

(Gauss') Normal equations

1

2

Norm (length!)

Unless Because of our assumptionof rank nColumns linearly independent!

Not sufficient!

~

V.1.1. Normal equations

V. Linear & Nonlinear Least-Squares

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● Geometric interpretation of the normalequations

● It turns out that they lead to a worserconditioned problem, i.e. difficult to solve thenormal equations numerically…Therefore the next method is preferred

.

V.1.1. Normal equations

V. Linear & Nonlinear Least-Squares

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V.1.2. The orthogonal decomposition method

● Definition:

● Key property:

An orthogonal matrix is a real squarematrix whose columns and rows are orthogonalunit vectors

This means:

Orthogonal matrices leave the Euclidean lengthinvariant

V. Linear & Nonlinear Least-Squares

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Every matrix with full column rank(the columns are linearly independent) has a so-calledQR-decomposition

where is an orthogonal matrix and an uppertriangular matrix

!Non zero diagonal!

Matlab: [Q,R]=qr(A)

Fact:

V.1.2. The orthogonal decomposition method

V. Linear & Nonlinear Least-Squares

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Every matrix with full column rank(the columns are linearly independent) has a so-calledQR-decomposition

where is an orthogonal matrix and an uppertriangular matrix

Matlab: [Q,R]=qr(A)

Fact:

Upper triangular

V.1.2. The orthogonal decomposition method

V. Linear & Nonlinear Least-Squares

25

Minimize residuum:

Orthogonal!We still solve the sameminimization problem!!!

V.1.2. The orthogonal decomposition method

V. Linear & Nonlinear Least-Squares

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Minimize residuum:

Orthogonal!We still solve the sameminimization problem!!!

V.1.2. The orthogonal decomposition method

V. Linear & Nonlinear Least-Squares

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V.1. Example: linear least-squares

Goal: Find1

Data:

Linear in model parameters!

Model:

V. Linear & Nonlinear Least-Squares

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V.1. Example: linear least-squares

Goal: Find1

Data:

Model:

Normal equations:

Orthogonal transformation: analogue…

V. Linear & Nonlinear Least-Squares

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V.2. Nonlinear least-squares

usually...

● General problem: measurements parameters

Overdetermined!

Least squares solution:

V. Linear & Nonlinear Least-Squares

30

● Gradient of

must vanish at extremum (min/max):

Gradient

V.2.1 Newton method

equations

unknowns!

V. Linear & Nonlinear Least-Squares

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V.2.1 Newton method

Hessian

Gradient

Apply Newton's method to solve

NOT

V. Linear & Nonlinear Least-Squares

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Linearize the residuum/error equations

V.2.2 Gauss-Newton method

Linearize at some

Linear least squares problem!

V. Linear & Nonlinear Least-Squares

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V.2.2 Gauss-Newton method

Given an initial guess:

Solve a sequence of linear least squares problems

Until convergence

Small enough

Problem:

...

V. Linear & Nonlinear Least-Squares

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V.2. Example: nonlinear least-squares

Model: Goal: Find2

Data:

Nonlinear in model parameters!

V. Linear & Nonlinear Least-Squares

35

V.2. Example: nonlinear least-squares

Model: Goal: Find2

Data:

Newton method:

V. Linear & Nonlinear Least-Squares

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V.2. Example: nonlinear least-squares

Model: Goal: Find2

Data:

Newton method:

Gradient

Two equations in two unknowns!

V. Linear & Nonlinear Least-Squares

37

V.2. Example: nonlinear least-squares

Model: Goal: Find2

Data:

Newton method:

Hessian

V. Linear & Nonlinear Least-Squares

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V.2. Example: nonlinear least-squares

Model: Goal: Find2

Data:

Newton method:

Iterate!

Initial guess:

V. Linear & Nonlinear Least-Squares

39

V.2. Example: nonlinear least-squares

Model: Goal: Find2

Data:

Gauss-Newton method:

Linearize residuum/error equations:

Linear in parameters now!

V. Linear & Nonlinear Least-Squares

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V. Summary

● Linear/Nonlinear in parameters

● Overdetermined system of equations!Determine parameters in the least-squares sense...

● Linear:

– Normal equations

– Orthogonal transformation method

– Example

● Nonlinear:

– Newton method

– Gauss-Newton method

– Example

V. Linear & Nonlinear Least-Squares

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