Multi-objective optimization of inverse planning for accurate radiotherapy

The multi-objective optimization of inverse planning based on the Pareto solution set, according to the multi-objective character of inverse planning in accurate radiotherapy, was studied in this paper. Firstly,the clinical requirements of a treatment plan were transformed into a multi-objective optimization problem with multiple constraints. Then, the fast and elitist multi-objective Non-dominated Sorting Genetic Algorithm (NSGA-Ⅱ)was introduced to optimize the problem. A clinical example was tested using this method. The results show that an obtained set of non-dominated solutions were uniformly distributed and the corresponding dose distribution of each solution not only approached the expected dose distribution, but also met the dosevolume constraints. It was indicated that the clinical requirements were better satisfied using the method and the planner could select the optimal treatment plan from the non-dominated solution set.     

Global optimization approach to nonlinear optimal control

To determine the optimum in nonlinear optimal control problems, it is proposed to convert the continuous problems into a form suitable for nonlinear programming (NLP). Since the resulting finite-dimensional NLP problems can present multiple local optima, a global optimization approach is developed where random starting conditions are improved by using special line searches. The efficiency, speed, and reliability of the proposed approach is examined by using two examples.Financial support from the Natural Science and Engineering Research Council under Grant A-3515 as well as an Ontario Graduate Scholarship are gratefully acknowledged. All the computations were done with the facilities of the University of Toronto Computer Centre and the Ontario Centre for Large Scale Computations.     

Domain sensitivity for singular elliptic problems: Harmonic transformation approach

A method for computing the sensitivities of functionals depending on the solutions of elliptic equations defined over variable domains is presented. It is based on the material derivative approach and allows the uniform treatment of both singular and nonsingular cases. The novelty consists in defining the vector field connected with the domain transformation as the solution of an auxiliary elliptic equation. Such a choice does not restrict the range of admissible goal functionals and has many advantages from the numerical point of view. It allows one also to consider singular domain variations.     

Unconstrained and constrained global optimization of polynomial functions in one variable

In Floudas and Visweswaran (1990), a new global optimization algorithm (GOP) was proposed for solving constrained nonconvex problems involving quadratic and polynomial functions in the objective function and/or constraints. In this paper, the application of this algorithm to the special case of polynomial functions of one variable is discussed. The special nature of polynomial functions enables considerable simplification of the GOP algorithm. The primal problem is shown to reduce to a simple function evaluation, while the relaxed dual problem is equivalent to the simultaneous solution of two linear equations in two variables. In addition, the one-to-one correspondence between the x and y variables in the problem enables the iterative improvement of the bounds used in the relaxed dual problem. The simplified approach is illustrated through a simple example that shows the significant improvement in the underestimating function obtained from the application of the modified algorithm. The application of the algorithm to several unconstrained and constrained polynomial function problems is demonstrated.     

Ab initio Tertiary Structure Prediction of Proteins

A daunting challenge in the area of computational biology has been to develop a method to theoretically predict the correct three-dimensional structure of a protein given its linear amino acid sequence. The ability to surmount this challenge, which is known as the protein folding problem, has tremendous implications. We introduce a novel ab initio approach for the protein folding problem. The accurate prediction of the three-dimensional structure of a protein relies on both the mathematical model used to mimic the protein system and the technique used to identify the correct structure. The models employed are based solely on first principles, as opposed to the myriad of techniques relying on information from statistical databases. The framework integrates our recently proposed methods for the prediction of secondary structural features including helices and strands, as well as -sheet and disulfide bridge formation. The final stage of the approach, which culminates in the tertiary structure prediction of a protein, utilizes search techniques grounded on the foundations of deterministic global optimization, powerful methods which can potentially guarantee the correct identification of a protein's structure. The performance of the approach is illustrated with bovine pancreatic trypsin inhibitor protein and the immunoglobulin binding domain of protein G.     

Worst Case Traffic from Regulated Sources

We address the problem of finding the worst possible traffic a user of a telecommunications network can send. We take worst to mean having the highest effective bandwidth, a concept that arises in the Large Deviation theory of queueing networks. The traffic is assumed to be stationary and to satisfy leaky bucket constraints, which represent the a priori knowledge the network operator has concerning the traffic. Firstly, we show that this optimization problem may be reduced to an optimization over periodic traffic sources. Then, using convexity methods, we show that the realizations of a worst case source must have the following properties: at each instant the transmission rate must be either zero, the peak rate, or the leaky bucket rate; it may only be the latter when the leaky bucket is empty or full; each burst of activity must either start with the leaky bucket empty or end with it full.     

Accelerations for global optimization covering methods using second derivatives

Two improvements for the algorithm of Breiman and Cutler are presented. Better envelopes can be built up using positive quadratic forms. Better utilization of first and second derivative information is attained by combining both global aspects of curvature and local aspects near the global optimum. The basis of the results is the geometric viewpoint developed by the first author and can be applied to a number of covering type methods. Improvements in convergence rates are demonstrated empirically on standard test functions.Partially supported by an University of Canterbury Erskine grant.     

Integral global optimization method for solution of nonlinear complementarity problems

The mapping in a nonlinear complementarity problem may be discontinuous. The integral global optimization algorithm is proposed to solve a nonlinear complementarity problem with a robust piecewise continuous mapping. Numerical examples are given to illustrate the effectiveness of the algorithm.