1. Bounded-error optimal experimental design via global solution of constrained min–max program.
- Author
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Walz, Olga, Djelassi, Hatim, Caspari, Adrian, and Mitsos, Alexander
- Subjects
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CONSTRAINED optimization , *EXPERIMENTAL design , *SAMPLING errors , *COMPUTER algorithms , *MEMBERSHIP functions (Fuzzy logic) - Abstract
We present an improvement of existing methods for globally solving optimal experimental design (OED) for bounded-error estimation based on a bilevel formulation from Mukkala et al. (2017). The proposed solution method for the min–max program is based on our method for generalized semi-infinite programs (via restriction of the right-hand side). The algorithm employed has the advantage that it guarantees a global solution for the OED assuming the global solution of two subproblems. To obtain a feasible solution only the lower-level problem has to be solved globally. In case of a local solution of the upper-level problem, the solution is still feasible though it is an upper bound of the global solution. The min–max method for OED is illustrated with four examples: two simple chemical reactions, BET-adsorption and a reformulated predator-prey system. The benefits of global methods are shown along with the limitations of state-of-the-art global solvers. [ABSTRACT FROM AUTHOR]
- Published
- 2018
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