Chapter 6

MULTI VARIABLE OPTIMIZATION PROCEDURES

Stochastic Approximation Procedures top

All of the procedures described up to now have been for deterministic processes, and they can be confounded by random error. There are search techniques that converge to an optimum in the face of random error, and some of these will be discussed briefly following the approach of Wilde(10) who gives more details about these methods. Random (e.g., experimental) error clouds the preception of what is happening and greatly hampers the search for the optimum. Stochastic approximation procedures deal with random error as noise superimposed on a deterministic process. Therefore, convergence to the optimum must be considered first and then efficiency can be evaluated. The works of Dvoretzky, Kiefer and Wolfowitz in this area have been summarized in an excellent manner by Wilde(10). Consequently, only the most important of these techniques will be described. This is the Kiefer-Wolfowitz stochastic approximation procedure, and it is applicable for n independent variables.

     With noise present a search technique is forced to creep to prevent being confounded by random error. However, for unimodal functions, it can be shown that stochastic approximation procedures converge to the optimum in the mean square and with probability one.

     The Kiefer-Wolfowitz algorithm is given by the following equation. Beginning at a starting point xo, the method proceeds according to this equation:

Pg282.jpg (23649 bytes)

(6-74)

For convergence, the parameters ak and ck must satisfy the following criteria:

 Equ6-75.jpg (7506 bytes)

The following example illustrates the use of the Kiefer-Wolfowitz procedure.

 

Example 6-13

Develop the procedure to obtain the minimum of a function of the form [Ax1(x1 - x1*)2 + Bx2(x2 - x2*)2] which is affected by experimental error. The value of the minimum is somewhere on the interval 1< x1* < 3, 1 <  x1* < 3. Starting with the mid-point of the interval, give the equations for the second, third and last of twenty trials.


Solution: a k = 1/k, c k = 1/k 1/4 satisfies the criterion of the equation (6-75).

For x2 = (x1,2, x2,2), k = 1:

Ex6-13a.jpg (6636 bytes)

For x3 = (x1,3, x2,3), k = 2:

Ex6-13b.jpg (13349 bytes)

For x20 = (x1,20, x2,20), k = 19:

Ex6-13c.jpg (14007 bytes)

 

     There are variations of the above procedure such as using only the sign of the approximation to the derivatives. This can be used effectively when there is difficulty with convergence which is being caused by the shape of the curve on either side of the optimum. Also, a forward difference approximation can be used in evaluating the derivative rather than the central difference form, but convergence is not as rapid.

Closure top

In this chapter the important algorithms for optimizing a nonlinear economic model with nonlinear constraints have been described, and their performance has been reviewed. This required presenting methods for unconstrained problems first and outlining the strategy required to move from a starting point to a point near an optimum. It was not possible to discuss each of the many algorithms that have been proposed and employed as unconstrained multivariable search techniques, but the references at the end of the chapter will lead to comprehensive descriptions of those procedures. The texts by Avriel(9), Fletcher(4,5), Gill et al.(6), Himmelblau(8), McCormick(7) and Reklaitis et al.(15) are particularly recommended for this purpose. However, the more successful algorithms were described for both unconstrained and constrained optimization problems. It is recommended that the BFGS algorithm be used for unconstrained problems and a FORTRAN program for this procedure (Table 6-4) has been included at the end of the chapter. For constrained problems the three methods that have been more successful in comparison studies on industrial problems are successive linear and quadratic programming (SLP and SQP) and generalized reduced gradient (GRG). Advanced computation techniques for numerical derivatives and sparse matrix manipulations are required to have efficient codes, and sources to contact for these types of programs were referenced.

     In addition to deterministic optimization methods, stochastic approximation procedures were described briefly based on material from Wilde's book(10). These methods are designed to locate the optimum in the face of experimental error, even though their movement is slowed to avoid being confounded.

     This area of optimization is probably the most rapidly growing part of the subject. The growth of computers and applied mathematical techniques for large systems of equations promises to continue to allow significant developments to take place.

References top

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3. Lasdon, L. S., "A Survey of Nonlinear Programming Algorithms and Software", Foundations of Computer-Aided Chemical Process Design, Vol. 1, p. 185, American Institute of Chemical Engineers, New York (1981).

4. Fletcher, Roger, Practical Methods of Optimization, Vol. I, Unconstrained Optimization, John Wiley and Sons, Inc., New York(1981).

5. Fletcher, Roger, Practical Methods of Optimization, Vol. II, Constrained Optimization, John Wiley and Sons, Inc., New York (1981).

6. Gill, P. E., E. Murray and M. H. Wright, Practical Optimization, Academic Press, New York (1981).

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10. Wilde, D. J., Optimum Seeking Methods, Prentice Hall Inc., Englewood Cliffs, New Jersey (1964).

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38. April, G. C. and R. W. Pike, "Modeling Complex Chemical Reaction Systems," Industrial and Engineering Chemistry, Process Design and Development, Vol. 13, No. 1, p.1 (January, 1974).

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Problems top

6-1(10). A Fibonacci search can be used to find the point on a line in space where a function is maximum. For the two points (1,-1,0,2) and (-5,-1,3,1) use a Fibonacci search assuming perfect resolution and unimodality.

a. Give the coordinates of the points where the first two experiments would be placed assuming a total of five measurements will be used.

b. What is the final interval of uncertainty on the coordinate axis x1?

Solution

6-2(10). In the folowing table eight values of y are given, and y is a function of four independent variables.

 Prob6-2.jpg (9019 bytes)


a. Determine the line of steep ascent passing through the point (0,1,-1,3).

b. Determine the contour tangent hyperplane passing through (0,1,-1,3).

Solution

6-3(17). Use the method of gradient partan to find the minimum of the following function starting at (2,1,3).

y = x12 + 3x22 + 5x32

Solution

6-4. For the following function draw contours on a graph for values of y of 20.0, 40.0, 60.0 and 80.0 in the region 0 < x1< 10 and 0 < x2 < 10.

y = x1x2

Starting at point xo(4,4) apply Pattern Search to move toward maximum and employ a step size d(1/2,1/2). Make local explorations and accelerations (pattern moves) to obtain the points through b5.

Solution

6-5. In Figure 6-12 a contour map is given for a function with a maximum located in the upper center. For the four multivariable search techniques, gradient search, sectioning, gradient partan and pattern search, sketch (precisely) the path these algorithms would take, beginning at the indicated starting point and going toward the maximum. For pattern search make the step-size equal to one-half of the width of the grid. The pattern search step size can be cut in half for the search to continue, if necessary. This will be the resolution limit, however. In addition, make brief comments about the effectiveness of these four techniques as applied to this function.

Solution

6-6. On the contour map given in Figure 6-13 sketch (precisely) the path of gradient partan, Powell's method and pattern search beginning at the starting point shown. For pattern search have the step size initially equal to the grid shown on the contour map and reduce the step size by one-half to have the search continue. Reduce the step size by one-half again if neccessary to have pattern search continue. Give a brief discussion of the performance of these methods on this function.

Solution

6-7. Newton's method is obtained from the Taylor series expansion for y(x), truncating the terms which are third order and higher, equation (6-8). Then equation (6-12) is obtained from the quadratic approximation, where x is the location of the minimum of the quadratic approximation. Discuss the iterative procedure that would be used to move to an optimum. To ensure convergence to a minimum (maximum), the value of dy(a)/da always must be negative (positive), where is the parameter of the line between points xk and xk+1 obtained from successive applications of the algorithm.

x = xk + a(xk+1 - xk)

Explain why this restriction is required for convergence to a local minimum (maximum).

Solution

6-8. Search for the minimum of the following function using gradient search starting at point xo(1,1,1).

y = x12 + x22 + x32

Solution

6-9. Develop and use a simplified version of Newton's method (quadratic fit) to search for the minimum of the function given in Problem 6-8 starting at the same point. Give the Taylor series expansion for three independent variables truncating third and higher order terms neglecting iteracting (mixed partial derivative) terms for simplicity. Differentiate the truncated Taylor series equation of with respect to x1, x2 and x3 to compute the optimum of the quadratic approximation, x, x and x. Then apply these results to minimize the function of the problem. Compare the effort required for one iteration of the linear algorithm in problem 6-8 to one iteration of the quadratic algorithm.

Solution

6-10. In problem 7-7 a simplified alkylation process with three identical reactors in series is described. The profit function for each reactor can be represented by an equation with elliptical contours, and the catalyst degradation function can be represented by a linear equation.

a. If the optimum of the profit function for an individual reactor is at F = 10 and C = 95, derive the profit function to be maximized and the constraint equations to be satisfied for the process. The profit function for one reactor is given by the following equation.

y = 150 - 6(F - 10)2 - 24(C-95)2

The constraint equations have the form y = mx + b, and the parameters m and b can be determined from Figure 7-32.

b. Form the penalty function for the above problem and discuss how this form will maximize the profit function and satisfy the constraint equations when a search technique is used to find the optimum.

Solution

6-11. Solve the following optimization problem by successive linear programming starting at xo(0,1/2) using limits of (1,1). Reduce the limits by one-half if infeasible points are encountered.

Minimize:   (x1 - 2)2 + (x2 - 1)2

Subject to: (-1/4) x1 - x22 + 1 > 0

       x1 - 2x2 + 1 = 0

Solution

6-12. Solve the following optimization problem by successive linear programming starting at point xo(1,1) using limits of (1,1). Reduce the limits by one-half if infeasible points are encountered.

Maximize : 4x1 + x2

Subject to: x12 + 2x22 < 20.25

       x12 - x22  < 8.25

Solution

6-13. Solve the following optimization problem by successive linear programming starting at point xo(1,1) using limits of (1,1). Reduce the limits by one-half if infeasible points are encountered.

Minimize : y = 2x12 + 2x1x2 + x22 - 20x1 - 14x2

Subject to: x12 + x22 < 25

x12 - x22 < 7

 

Solution

6-14(26). Solve the following problem by successive linear programming starting at point (2,1) using limits of (1/2,1/2). Reduce the limits by one-half if infeasible points are encountered.

Maximize: 2x12 - x1x2 + 3x22

Subject to: 3x1 + 4x2 < 12

         x12 - x22 > 1

Solution

6-15(34). Solve the following problem by successive linear programming starting at point xo(1,1) using limits of (2,2). Reduce the limits by one-half if infeasible points are encountered.

Maximize: 3x12 + 2x22

Subject to:  x12 + x22 < 25

      9x1 - x22 < 27

 

Solution

6-16. The following multivariable optimization problem is shown in figure 6-7.

Minimize: -2x1 - 4x2 + x12 + x22 + 5

Subject to: - x1 + 2x2 < 2

         x1 + x2 < 4

a. Give the successive linear programming algorithm for this problem in the form of equations (6-34). The upper and lower bounds are the same and are equal to 1.0.

b. For starting point xo = (0,0) apply the algorithm from part a to search for the optimum by successive linear programming.

Solution

6-17. Solve problem 6-16 by quadratic programming.

Solution
6-18(26). Solve the following problem by quadratic programming.

Maximize: -2x12 - x22 + 4x1 + 6x2

Subject to:  x1 + 3x2 < 3

Solution

6-19(27). Solve the following problem by quadratic programming.

Maximize: 6x1 - 2x12 + 2x1x2 - 2x22

Subject to:  x1 + x2 < 2

Solution

6-20(28). Solve the following problem by quadratic programming.

Maximize: 9x2 + x12

Subject to: x1 + 2x2 = 10

Solution

6-21. Solve the following problem by quadratic programming.

Minimize: 2x12 + 2x1x2 + x22 - 20x1 - 14x2

Subject to: x1 + 3x2 < 5

2x1 - x2 < 4

Solution

6-22. Solve the following problem by the generalized reduced gradient method starting at the feasible point xo(1,1,19) to find the optimum located at x*(4,3,0). Use the optimum point to determine the appropriate value of the parameter of the reduced gradient line for one line search to arrive at the optimum.

Maximize :  3x12 + 2x22 - x3

Subject to:   x12 + x22 = 25

9x1 - x22 + x3 = 27

Solution

6-23(11). Solve the following problem by the generalized reduced gradient method. Start at the point xo = (2,1,3,1) and have x1 and x4 be the basic or dependent variables and x2 and x3 the nonbasic or independent variables.

Minimize : x12 + 4x22

Subject to:  x1 + 2x2 - x3      = 1

       -x1 +  x2      + x4 = 0

Solution

6-24. Solve the following problem by the generalized reduced gradient method starting at point xo(2,4,5). Show that the value of the parameters of the reduced gradient line 1 = -1/20 locates the minimum of the economic model and satisfies the constraints.

Minimize : 4x1 - x22 + x32 - 12

Subject to: -x12 - x22     + 20 = 0

         x1         + x3 - 7 = 0

Solution

6-25(17). Find the minimum of the following function starting at the point xo(1,1,1). However, this time experimental error is involved; and the Kiefer-Wolfowitz procedure must be used, employing ak = 1/k and ck = 1/k1/4 with k = 1, 2, ...12. Simulate experimental error by flipping a coin and adding (subtracting) 0.1 from y if the coin turns up heads (tails).

y = x12 + 3x22 + 5x32

Solution

6-26. Solve the following problem by successive quadratic programming and the generalized reduced gradient method, starting at point xo(0,1/2), and compare these results to the solution given in Figure 6-8.

Minimize: (x1-2)2 + (x2-1)2

Subject to: - ¼ x12- x22 + 1 0

x1 - 2x2 + 1 = 0

Solution

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