# 9.6 Optimization

This section under major construction.

## Root finding.

Goal: given function f(x), find x* such that f(x*) = 0. Nonlinear equations can have any number of solutions.

x^{2}+ y^{2}= -1 no real solutions e^{-x}= 17 one real solution x^{2}-4x + 3 = 0 has two solutions (1, 3) sin(x) = 0 has infinitely many solutions

**Unconstrained optimization.**
Goal: given function f(x), find x* such that f(x) is
maximized or minimized. If f(x) is differentiable, then we
are looking for an x* such that f'(x*) = 0. However, this
may lead to local minima, maxima, or saddle points.

**Bisection method.**
Goal: given function f(x), find x* such that f(x*) = 0.
Assume you know interval [a, b] such that f(a) < 0 and f(b) > 0.

**Newton's method.**
Quadratic approximation. Fast convergence if close enough to answer.
The update formulas below are for finding the root of f(x) and f'(x).

root finding: x_{k+1}= x_{k}- f'(x_{k})^{-1}f(x_{k}) optimization: x_{k+1}= x_{k}- f''(x_{k})^{-1}f'(x_{k})

Newton's method only reliable if started "close enough" to solution. Bad example (Smale): f(x) = x^3 - 2*x + 2. If you start in the interval [-0.1, 0.1] , Newton's method reaches a stable 2-cycle. If started to the left of the negative real root, it will converge.

To handle general differentiable or twice differentiable functions of one variable, we might declare an interface

public interface Function { public double eval(double x); public double deriv(double x); }

Program Newton.java runs Newton's method on a differentiable function to compute points x* where f(x*) = 0 and f'(x*) = 0.

The probability of finding an electron in the 4s excited state of hydrogen
ar radius r is given by:
*f(x) = (1 - 3x/4 + x ^{2}/8 - x^{3}/192)^{2} e^{-x/2}*,
where

*x*is the radius in units of the Bohr radius (0.529173E-8 cm). Program BohrRadius.java contains the formula for f(x), f'(x), and f''(x). By starting Newton's method at 0, 4, 5, and 13, and 22, we obtain all three roots and all five local minima and maxima.

**Newton's method in higher dimensions.** [probably omit or leave as an exercise]
Use to solve system of nonlinear equations.
In general, there are no good methods for solving a nonlinear system of equations

x_{k+1}= x_{k}- J(x_{k})^{-1}f(x_{k})

where J is the Jacobian matrix of partial derivatives.
In practice, we don't explicitly compute the inverse.
Instead of computing y = J^{-1}f, we solve the
linear system of equations Jy = f.

To illustrate the method, suppose we want to find a solution (x, y) to the following system of two nonlinear equations.

x^{3}- 3xy^{2}- 1 = 0 3x^{2}y - y^{3}= 0

In this example, the Jacobian is given by

J = [ 3x^{2}- 3y^{2}-6xy ] [ 6x 3x^{2}- 3y^{2}]

If we start Newton's method at the point (-0.6, 0.6), we quickly obtain one of the roots (-1/2, sqrt(3)/2) up to machine accuracy. The other roots are (-1/2, -sqrt(3)/2) and (1, 0). Program TestEquations.java uses the interface Equations.java and EquationSolver.java to solve the system of equations. We use the Jama matrix library to do the matrix computations.

*Optimization.*
Use same method to optimize a function of several variables.
Good methods exist if multivariate function is sufficiently smooth.

x_{k+1}= x_{k}- H(x_{k})^{-1}g(x_{k})

Need gradient g(x) = ∇f(x) and Hessian H(x) = ∇^{2}f(x).
Method finds an x* where g(x*) = 0,
but this could be a maxima, minima, or saddle point.
If Hessian is positive definite (all eigenvalues are positive)
then it is a minima; if all eigenvalues are negative, then it's
a maxima; otherwise it's a saddle point.

Also, 2nd derivatives change slowly, so it may not be necessary to
recalculate the Hessian (or its LU decomposition) at each step.
In practice, it is expensive to compute the Hessian exactly, so other
so called *quasi-Newton* methods are preferred, including the
Broyden-Fletcher-Goldfarb-Shanno (BFGS) update rule.

**Linear programming.**
Create matrix interface.
Generalizes two-person zero-sum games, many problems in combinatorial
optimization, ....
run AMPL from the web.

Programming = planning. Give some history. Decision problem not known
to be in P for along time.
In 1979, Khachian resolved the question in the affirmative
and made headlines in the New York Times with a geometric divide-and-conquer
algorithm known as the *ellipsoid algorithm*. It requires
O(N^{4}L) bit operations where N is the number of variables
and L is the number of bits in the input. Although this was a landmark
in optimization, it did not immediately lead to a practical algorithm.
In 1984, Karmarkar proposed a projective scaling algorithm that takes
O(N^{3.5}L) time. It opened up the door for efficient implementations
because by typically performing much better than its worst case guarantee.
Various *interior point* methods were proposed in the 1990s, and the
best known complexity bound is O(N^{3} L). More importantly, these
algorithm are practical and competitive with the simplex method. They
also extend to handle even more general problems.

**Simplex method.**

**Linear programming solvers.**
In 1947, George Dantzig proposed the simplex algorithm for linear programming.
One of greatest and most successful algorithms of all time.
Linear programming, but not industrial strength.
Program LPDemo.java illustrates how
to use it.
The classes `MPSReader` and `MPSWriter`
can parse input files and write output files in the standard
MPS format.
Test LP data files in
MPS format.

**More applications.**
OR-Objects also has graph coloring, traveling salesman problem,
vehicle routing, shortest path.

#### Exercises

- Use Newton's method to find an x (in radians) such that x = cos(x).
- Use Newton's method to find an x (in radians) such that x
^{2}= 4 sin(x). - Use Newton's method to find an x (in radians) that minimizes f(x) = sin(x) + x - exp(x).
- Use Newton's method to find (x, y) that solve
x + y - xy = -2 x exp(-y) = 1

Start at the point (0.1, -0.2), which is near the true root (0.09777, -2.325).

- Use Newton's method to find (x, y) that solve
x + 2y = 2 x

^{2}+ 4y^{2}= 4Start at the point (1, 2), which is near the true root (0, 1).

- Use Newton's method to find (x, y) that solve
x + y = 3 x

^{2}+ y^{2}= 9Start at the point (2, 7).

- Use Newton's method to minimize f(x) = 1/2 - x e
^{-x2}.*Hint*: f'(x) = (2x^{2}-1)e^{-x2}, f''(x) = 2x(3-2x^{2})e^{-x2}. -
Use Newton's method to find all minima, maxima, and saddle points of
the following function of two variables.
f(x,y) = 3(1-x)

^{2}exp(-x^{2}-(y+1)^{2}) - 10((y/6)-y^{3}) exp(-x^{2}-y^{2})

#### Creative Exercises

**Bernoulli numbers.**Bernoulli numbers appear in the Taylor expansion of the tangent function, the Euler-MacLaurin summation formula, and the Riemann zeta function. They can be defined recursively by B_{0}= 1, and using the fact that the sum from j = 0 to N of binomial(N+1, j) B_{j}= 0. For example B_{1}= -1/2, B_{2}= 1/6, B_{3}= 0, and B_{12}= -691/2730. Bernoulli computed the first 10 Bernoulli numbers by hand; Euler's compute the first 30. In 1842, Ada Lovelace suggested to Charles Babbage that he devise an algorithm for computing Bernoulli numbers using his Analytic Engine. Write a program Bernoulli.java that takes a command-line argument N and prints out the first N Bernoulli numbers. Use the BigRational.java data type from Section 9.2.**Eccentricity anomaly.**(Cleve Moler) The*eccentricity anomaly*arises in Kepler's model of planetary motion and satisfies M = E - e sin E, where M is the mean anomaly (24.851090) and e is the orbit eccentricity (0.1). Solve for E.**Newton's method with complex numbers.**Implement Newton's method for finding a*complex*root of an equation. Use Complex.java and implement Newton's method exactly as when finding real roots, but use complex numbers.