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Slide 1 of 8

Lecture 6

Newtons Method

Brian G. Higgins

Department of Chemical Engineering & Materials Science

University of California, Davis

April 2014, Hanoi, Vietnam

ECM6Lecture6Vietnam_2014.nb

In this lecture we give a brief over view of the following topics

2. Accuracy Estimates of Iterative Methods

3. Examples

4. Convergence tests

5. Example of convergence tests

Evaluate the following function to avoid function clashes.

Remove@f, g, f1, g1, sol1, sol2, x0, x1, Dx, g3, iterates,

partList, LinearConvergenceTest, QuadraticConvergenceTestD;

ECM6Lecture6Vietnam_2014.nb

Suppose we are given an iteration function

xn+1 = g Hxn L

And we have a fixed point p such that p = f@pD. To assess the local stability of the fixed point, we

linearize the map about the fixed point. Let xn denote a small perturbation to the fixed point

xn = p + xn xn+1 = p + xn+1

Hence the map becomes

p + xn+1 = f Hp + xn L = f HpL +

= f HpL +

xn = p +

Hxn - pL

f

x

xn

P

Simplifying gives

xn+1 =

f

x

(1)

xn

P

To find a solution to the above expression we look for solutions of the form

xn = qn u

qn+1 u =

f

x

qn u q =

xn = C1

-1 <

f

x

<1

p

And xn as n, if

f

x

>1

p

To summarize

(i)

I f

M

x p

(ii)

I f

M

x p

(iii)

I f

M

x p

We can also define a basin of attraction for a fixed point: Suppose p is a fixed point, then the basin of

attraction of p consists of all x such that f@nD HxL p as n increases without bound.

(i)

4

I f

M

x p

ECM6Lecture6Vietnam_2014.nb

(ii) I f

M

> 1, then

x p

(iii)

I f

M

x p

We can also define a basin of attraction for a fixed point: Suppose p is a fixed point, then the basin of

attraction of p consists of all x such that f@nD HxL p as n increases without bound.

Example 4:

Consider the 1-D map

xn+1 = f@xn D m xn H1 - xn L

First we need to find the fixed points of the map, i.e.

p = f@pD = m p H1 - pL

Solving for p we find

HiL

p=0

HiiL

1 = m-m p

fl

p = Hm - 1L m

f

x

= m H1 - 2 pL

p

If p = 0, then

f

x

= m H1 - 2 pL

p=0

=m

p=0

Thus the fixed point is stable if -1 < m < 1. For the fixed point p = Hm - 1L m, the Jacobian becomes

f

x

= m H1 - 2 pL

p=Hm-1Lm

= 2-m

p=Hm-1Lm

Hence p = Hm - 1L m is attracting if

Example 1

In the first example we consider

f HxL = ex - 3 x2 = 0

which we transform to

x = g HxL ln H3L + ln Ix2 M

First let us plot this function f(x) for a range of values of x

ECM6Lecture6Vietnam_2014.nb

PlotAx - 3 x2 , 8x, - 3, 5<, Frame True, FrameLabel 8"x", "fHxL"<, PlotStyle BlueE

10

fHxL

-10

-20

-2

It follows from the plot that f HxL = 0 has 1 negative and 2 positive roots. For reference the roots are

p1 = -0.458962

p2 = 0.910008

p3 = 3.73308

In the next plot we show a plot of the LHS (=x) and the RHS (=ln H3L + ln Ix2 M) for a range of x

values (Note in Mathematica ln(x) is expressed as Log[x])

PlotA9x, Log@3D + LogAx2 E=, 8x, - 3, 5<, Frame True,

FrameLabel 8"x", "x,gHxL"<, PlotStyle 8Red, Blue<, PlotRange 8- 10, 5<E

4

2

x,gHxL

0

-2

-4

-6

-8

-10

-2

As before we see that there are 3 roots (these are fixed points of g(x) such that p = gHpL. Let us use

NestList to generate the sequence for 30 iterations starting with x0 = 1. Here is the result

g@x_D := Log@3D + LogAx2 E

NestList@g, 1, 30D N

81., 1.09861, 1.28671, 1.60279, 2.0421, 2.52657, 2.95234, 3.26381,

3.4644, 3.58369, 3.6514, 3.68883, 3.70923, 3.72026, 3.7262, 3.72939,

3.7311, 3.73202, 3.73251, 3.73277, 3.73292, 3.73299, 3.73303, 3.73305,

3.73307, 3.73307, 3.73308, 3.73308, 3.73308, 3.73308, 3.73308<

Note that we have converged to a fixed point p3 3.73308 ..., which is one of the desired roots of

f HxL = 0. We can readily test out other initial values for x0 to find that the iteration always converges to

the the same fixed point

ECM6Lecture6Vietnam_2014.nb

Note that we have converged to a fixed point p3 3.73308 ..., which is one of the desired roots of

f HxL = 0. We can readily test out other initial values for x0 to find that the iteration always converges to

the the same fixed point

NestList@g, - 2, 30D N

8- 2., 2.48491, 2.91908, 3.24115, 3.45047, 3.57563, 3.6469,

3.68637, 3.70789, 3.71954, 3.72581, 3.72918, 3.73099, 3.73196, 3.73248,

3.73276, 3.73291, 3.73299, 3.73303, 3.73305, 3.73306, 3.73307, 3.73307,

3.73308, 3.73308, 3.73308, 3.73308, 3.73308, 3.73308, 3.73308, 3.73308<

Consequently, our iteration method does not allow us to determine the other 2 roots. Here is a graphical

representation of the iterations, starting with x=8

8

x,gHxL

10

12

Like us now check the local stability of the fixed points. For this calculation we need to compute

|H g xLp | which is given by

Abs@g '@xDD

2

Abs@xD

Let us evaluate the derivative at the fixed points {p1 = -0.458962, p2 = 0.910008, p3 = 3.73308}

Map@Abs@g '@DD &, 8- 0.458962, 0.910008, 3.73308<D

84.35766, 2.19778, 0.535751<

It follows that only p3 = 3.73308 is a stable fixed point, and for this reason our iteration scheme converges to this value.

Example 2

In this example we consider following equation we wish to solve

f HxL = 0,

f HxL = -x - 3 x

x = g1 HxL

Note that

1

3

-x

ECM6Lecture6Vietnam_2014.nb

x=

1

3

-x f HxL = 0

g1@x_D :=

-x

3

Plot@8x, g1@xD<, 8x, 0, 1<, Frame True,

FrameLabel 8"x", "x,g1HxL"<, PlotStyle 8Red, Blue<D

1.0

0.8

x,g1HxL

0.6

0.4

0.2

0.0

0.0

0.2

0.4

0.6

0.8

1.0

We see that there is a single positive root. Let us generate a sequence using x0 = 0.2, which is approximately at the value of the root.

NestList@g1, 0.2, 20D N

80.2, 0.27291, 0.25372, 0.258636, 0.257368, 0.257695, 0.25761,

0.257632, 0.257627, 0.257628, 0.257628, 0.257628, 0.257628, 0.257628,

0.257628, 0.257628, 0.257628, 0.257628, 0.257628, 0.257628, 0.257628<

It is evident the sequence converges to the desired fixed point, and a quick check on stability confirms

that the fixed point is stable, viz., H g1 xLp < 1

Abs@g1 '@0.257628DD

0.257628

x = g2 HxL e-x - 2 x

Note that

x = e-x - 2 x f HxL = 0

ECM6Lecture6Vietnam_2014.nb

g2@x_D := -x - 2 x

Plot@8x, g1@xD<, 8x, 0, 1<, Frame True,

FrameLabel 8"x", "x,g2HxL"<, PlotStyle 8Red, Blue<D

1.0

0.8

0.6

x,g2HxL

0.4

0.2

0.0

0.0

0.2

0.4

0.6

0.8

1.0

It is evident from the plot that the function g2(x) has the same fixed point

NestList@g2, 0.2, 7D N

90.2, 0.418731, - 0.17958, 1.55588, - 2.90075, 23.9892, - 47.9784, 6.86679 1020 =

It is clear that after 7 iterations our sequence is diverging. A check on the stability of the fixed point

confirms that H g2 xLp > 1

Abs@g2 '@0.257628DD

2.77288

Summary

Thus when we construct a iteration function, we must ensure that the fixed point defined by the iteration

function is stable. If not, our iteration scheme will fail. This assumes of course we know the value of the

fixed point. In general this is not the case ( If we did there is no reason to use a iteration method!). Thus

in practice we can attempt to eestimate the root and then use the estimate to check on stability. One

way of estimating the root is by plotting the function g(x) over a range of values of x.

ECM6Lecture6Vietnam_2014.nb

We consider a function f HxL and let p be the root of f HxL such that

f HpL = 0

Now suppose that xk is the approximation of the solution to f HxL = 0. Then if we Taylor expand the

function f HxL about and arbitrary point the xk to obtain the following linear equation

f

f HxL = f Hxk L +

Hx - xk L +

xk

We next set x = p, so that Dx x - xk = p - xk represents the deviation from the root of f HxL. This means

that

f HpL = 0

It then follows that

f Hxk L +

f

x

Hp - xk L 0

xk

p g Hxk L xk -

f Hxk L

I f

M

x x

(2)

k

The RHS of Eq.(1) is our approximation to the root. Our task then is to find an iterate of g(x) such the

RHS of (1) is equal to p. More generally we can write

xk+1 = g Hxk L xk -

f Hxk L

I f

M

x x

(3)

k

Equation (2) shows that the root of f HxL is a fixed point of gHxL. We can also check on the stability of the

fixed point represented by the iteration map. The fixed point iteration will be stable if

g

<1

Taking

g HxL = x -

f HxL

I f

M

x

g

x

= 1-

f

x

f

x

2 f

f

I f

M

x

x2

2 f

f

I f

M

x

x2

10

ECM6Lecture6Vietnam_2014.nb

2 f

f

I f

M

x

x2

<1

for the fixed point iteration to converge. Recall that at the fixed point f HpL = 0. Hence the convergence

requirement is satisfied unless H f xLp =0

ECM6Lecture6Vietnam_2014.nb

Consider a previous example where we needed to determine the roots of

f HxL = ex - 3 x2 = 0

A plot of the function is shown here

PlotAx - 3 x2 , 8x, - 3, 5<, Frame True, FrameLabel 8"x", "fHxL"<, PlotStyle BlueE

10

fHxL

-10

-20

-2

At each root , H f xLp 0. Thus or fixed point iteration should converge. Let us test it out using the

following functions

f@x_D := x - 3 x2

g@x_D := x -

f@xD

f '@xD

NestList@g, - 0.5, 10D

8- 0.5, - 0.46022, - 0.458964, - 0.458962, - 0.458962,

- 0.458962, - 0.458962, - 0.458962, - 0.458962, - 0.458962, - 0.458962<

NestList@g, 1.2, 10D

81.2, 0.94229, 0.910592, 0.910008, 0.910008,

0.910008, 0.910008, 0.910008, 0.910008, 0.910008, 0.910008<

NestList@g, 3.1, 10D

83.1, 4.94328, 4.33804, 3.94022, 3.76555,

3.73402, 3.73308, 3.73308, 3.73308, 3.73308, 3.73308<

This iteration method for finding roots is called Newton's method. A potential draw back of Newton's

method is that it requires a calculation of the derivative of the function. When applied to large sets of

equations this can be a time consuming calculation.

11

12

ECM6Lecture6Vietnam_2014.nb

This iteration method for finding roots is called Newton's method. A potential draw back of Newton's

method is that it requires a calculation of the derivative of the function. When applied to large sets of

equations this can be a time consuming calculation.

ECM6Lecture6Vietnam_2014.nb

13

Suppose we have an iterative algorithm trying to find a root of f HxL such that f HpL = 0. If xk is the k th

iterate of the algorithm then the error of xk is

ek = p - xk

(4)

We can think of ek as the amount that must be added to get the value of p. An algorithm converges if

successive ek become smaller, i.e

ek-1 > ek > ek+1

That is

ek

0, as k

Since we do not in general know p at the outset, the error indicator defined by (3) is not terribly useful.

Instead we use information about the iterates to judge accuracy. Since we know

x0 , x1 , x2 , , xk , xk+1 , ....

we therefore form the increments from the iterate values

Dx0 = x1 - x0 , Dx1 = x2 - x1 , Dx2 = x3 - x2 , Dxk = xk+1 - xk ,

Now if the convergence is rapid we would expect

Dxk = xk+1 - xk p - xk = ek ,

if

ek+1

<<

ek

Thus a judgement of when to stop the iteration is when Dxk is small in some suitably defined way. We

note that by its definition Dxk approximates the error of xk-1 and not of xk .

Suppose we want our iterate xk to approximate p to N decimal places, then we can require

ek

Further, Dxk xk approximates the relative error of xk-1 . So in summary we can say

Absolute Difference Test :

Relative Difference Test :

Dk

Dk

< C 10-N xk , then stop iteration

where C is a suitable constant, usually taken as 1.0, and N is normally less than the machine precision,

usually 16 digits. Note that the absolute difference test depends on the size of p. If p is say 60000, then

on a machine with machine precision of 16, we can expect at most 11 digits of accuracy after the

decimal point. Recall Mathematica's Accuracy function gives you this information

8Accuracy@60 000.0D, Accuracy@ 0.06D<

811.1764, 17.1764<

As a rule then it makes sense to use the relative difference test, rather than the absolute difference test

to stop an iteration algorithm.

14

ECM6Lecture6Vietnam_2014.nb

Example

Consider the following function

f1 HxL = 150 047.623 0.005 x - 800.135 0.005 x x + 0.005 x x2

We want to find the roots of this function using Newton's method. Let us define the function

Plot of Function

f1@x_D := 150 047.623 0.005 x - 800.135 0.005 x x + 0.005 x x2

Plot@f1@xD, 8x, 0, 600<, Frame True, FrameLabel 8"x", "fHxL"<, PlotStyle BlueD

600 000

500 000

fHxL

400 000

300 000

200 000

100 000

0

100

200

300

400

500

600

We see that the roots are near x=300 and x=500. As before we can define Newton's method using the

following fixed point iteration algorithm based upon

xk+1 = xk - f1 Hxk L f1' Hxk L

Newtons Method

g1@x_D := x - f1@xD f1 '@xD

Let us try out this iteration using NestList with x=410, and 10 iterations

sol1 = NestList@g1, 410, 10D

8410, 76.1101, 624.259, 562.295, 522.121,

503.91, 500.238, 500.1, 500.099, 500.099, 500.099<

We converge to the root at x=500.099 We can check on the accuracy of our result by evaluating the

Accuracy of the last few iterates. First we can determine the number of digits after the decimal place

Accuracy@sol1@@11DDD

13.2555

So we have 13 digits of accuracy after the decimal point. The actual value of the root stored in the

computer is

ECM6Lecture6Vietnam_2014.nb

15

So we have 13 digits of accuracy after the decimal point. The actual value of the root stored in the

computer is

sol2 = sol1@@89, 10, 11<DD; sol2 InputForm

{500.09940269270874, 500.09940269234096, 500.09940269234113}

Next we can evaluate the value of the function at the 9, 10 and 11th iterates

Map@f1@xD . x &, sol2D

98.96864 10-7 , - 4.65661 10-10 , 0.=

It is clear that we are converging to the solution, with increasing accuracy. The trouble for using NestList

we have no way to arbitrary stop the evaluation. That is there is no simply way to apply a test at each

step of the iteration. To apply a test using the For loop is relatively straightforward. Here we apply the

absolute test. That is we require that Dxk < 0.001. That is the iteration stops when Dxk < 0.001.

For@i = 1; x0 = 410; Dx = 0.1, Abs@DxD > 0.001, i ++,

x1 = N@x0 - f1@x0D f1 '@x0DD; Print@x1D; Dx = x1 - x0; x0 = x1D

76.1101

624.259

562.295

522.121

503.91

500.238

500.1

500.099

x0 InputForm

500.09940269270874

f1@xD . x x0

8.96864 10-7

Clearly we can readily increase the accuracy by changing the value of Dxk . If we want to use the

relative error test we proceed as follows

For@i = 1; x0 = 410; Dx = 1, Abs@Dx x0D > 0.001, i ++,

x1 = N@x0 - f1@x0D f1 '@x0DD; Print@x1D; Dx = x1 - x0; x0 = x1D

16

ECM6Lecture6Vietnam_2014.nb

76.1101

624.259

562.295

522.121

503.91

500.238

500.1

f1@xD . x x0

0.467589

For@i = 1; x0 = 410; Dx = 1, Abs@Dx x0D > 0.0001, i ++,

x1 = N@x0 - f1@x0D f1 '@x0DD; Print@x1D; Dx = x1 - x0; x0 = x1D

76.1101

624.259

562.295

522.121

503.91

500.238

500.1

500.099

f1@xD . x x0

8.96864 10-7

ECM6Lecture6Vietnam_2014.nb

Suppose that we have an iterative algorithm such that a constant CL exists such that

Dxk-1 CL Dxk-2 , Dxk CL Dxk-1 , Dxk+1 CL Dxk ,

Then CL is called the linear convergence constant, and the algorithm that generates the xk is called

linearly convergent, if CL < 1 and linearly divergent if CL > 1.

On the other hand if we have a constant CQ such that

Dxk-1 CQ HDxk-2 L2 , Dxk CQ HDxk-1 L2 , Dxk+1 CQ HDxk L2 ,

then CQ is called the quadratic convergence constant, and the algorithm generating the iterates is

called quadratically convergent. If an algorithm converges quadratically we view such a algorithm as

exhibiting rapid convergence, while if we have linear convergence we view the algorithm as having

slow convergence. Let us test these ideas on a few algorithms

Example 1

Consider the following recursive algorithm studied earlier

xn+1 =

1

b

Hb - 1L xn +

a

xn

Recall this formula is used to compute the square root of a real number a.

We define the function

g3@b_, x_D :=

1

b

Hb - 1L x +

78.8

x

With this in mind we use NestList with a pure function taking the value of b =1.5, and a=78.8

iterates = NestList@g3@1.5, D &, 9, 20D

89, 8.83704, 8.89036, 8.87248, 8.87842, 8.87644, 8.8771,

8.87688, 8.87695, 8.87693, 8.87694, 8.87694, 8.87694, 8.87694,

8.87694, 8.87694, 8.87694, 8.87694, 8.87694, 8.87694, 8.87694<

To for the error estimates Dxk , we partition the list into overlapping partitions

partList = Partition@iterates, 2, 1D

889, 8.83704<, 88.83704, 8.89036<, 88.89036, 8.87248<, 88.87248, 8.87842<,

88.87842, 8.87644<, 88.87644, 8.8771<, 88.8771, 8.87688<, 88.87688, 8.87695<,

88.87695, 8.87693<, 88.87693, 8.87694<, 88.87694, 8.87694<, 88.87694, 8.87694<,

88.87694, 8.87694<, 88.87694, 8.87694<, 88.87694, 8.87694<, 88.87694, 8.87694<,

88.87694, 8.87694<, 88.87694, 8.87694<, 88.87694, 8.87694<, 88.87694, 8.87694<<

Then we use map to create the error estimate Dxk at each iteration step

17

18

ECM6Lecture6Vietnam_2014.nb

90.162963, 0.0533193, 0.0178797, 0.00594788, 0.00198396,

0.000661171, 0.000220407, 0.0000734671, 0.0000244892, 8.16305 10-6 ,

2.72102 10-6 , 9.07006 10-7 , 3.02336 10-7 , 1.00779 10-7 , 3.35928 10-8 ,

1.11976 10-8 , 3.73254 10-9 , 1.24418 10-9 , 4.14726 10-10 , 1.38241 10-10 =

Dxk and then form the ratio as follows

80.327186, 0.335332, 0.332662, 0.333557, 0.333259, 0.333358,

0.333325, 0.333336, 0.333332, 0.333334, 0.333333, 0.333333,

0.333333, 0.333333, 0.333333, 0.333333, 0.333333, 0.333333, 0.333332<

Dxk+1

Dxk

= CL 0.333

We can combine the above code fragments into a single compound statement as follows

LinearConvergenceTest = Hiterates = NestList@g3@1.5, D &, 9, 20D;

partList = Partition@iterates, 2, 1D;

Dx = Map@Abs@@@2DD - @@1DDD &, partListD;

Map@@@2DD @@1DD &, Partition@Dx, 2, 1DDL

80.327186, 0.335332, 0.332662, 0.333557, 0.333259, 0.333358,

0.333325, 0.333336, 0.333332, 0.333334, 0.333333, 0.333333,

0.333333, 0.333333, 0.333333, 0.333333, 0.333333, 0.333333, 0.333332<

We can also test for quadratic convergence by simply modifying the last line of the code

QuadraticConvergenceTest = Iiterates = NestList@g3@1.5, D &, 9, 20D;

partList = Partition@iterates, 2, 1D;

Dx = Map@Abs@@@2DD - @@1DDD &, partListD;

MapA@@2DD @@1DD2 &, Partition@Dx, 2, 1DEM

92.00773, 6.28914, 18.6056, 56.0799, 167.977, 504.194, 1512.32,

4537.22, 13 611.4, 40 834.4, 122 503., 367 509., 1.10253 106 , 3.30758 106 ,

9.92275 106 , 2.97683 107 , 8.93048 107 , 2.67914 108 , 8.0374 108 =

It is clear that

Dxk+1

HDxk L2

CQ

Example 2

Consider the following function

f HxL = ex - 3 x2

Thus we define the following function

ECM6Lecture6Vietnam_2014.nb

19

f@x_D := x - 3 x2

g@x_D := x -

f@xD

f '@xD

NestList@N@g@DD &, - 20, 10D

8- 20, - 10., - 5., - 2.50079, - 1.26263, - 0.690041,

- 0.490353, - 0.459708, - 0.458963, - 0.458962, - 0.458962<

Newton's algorithm converges to the desired root x = -0.4589. Let us test the convergence rate and see

if it is linear

LinearConvergenceTest = Hiterates = NestList@N@g@DD &, - 20, 10D;

partList = Partition@iterates, 2, 1D;

Dx = Map@Abs@@@2DD - @@1DDD &, partListD;

Map@@@2DD @@1DD &, Partition@Dx, 2, 1DDL

90.5, 0.499844, 0.495419, 0.462451, 0.348747,

0.153461, 0.0243245, 0.000590959, 3.49192 10-7 =

Clearly there is no constant CL for these iterates. We can also test for quadratic convergence and find

QuadraticConvergenceTest = Iiterates = NestList@N@g@DD &, - 20, 10D;

partList = Partition@iterates, 2, 1D;

Dx = Map@Abs@@@2DD - @@1DDD &, partListD;

MapA@@2DD @@1DD2 &, Partition@Dx, 2, 1DEM

80.05, 0.0999688, 0.19823, 0.373498, 0.609073, 0.768503, 0.793766, 0.792798, 0.792706<

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