Standardized maximim D-optimal designs for enzyme kinetic inhibition models.

Standardized maximim D-optimal designs for enzyme kinetic inhibition models.
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DOI:
10.1016/j.chemolab.2017.08.009
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发表时间:
2017-10-15
期刊:
Chemometrics and intelligent laboratory systems : an international journal sponsored by the Chemometrics Society
影响因子:
--
通讯作者:
Wong WK
Wong WK
中科院分区:
其他
文献类型:
--
作者:
Chen PY;Chen RB;Tung HC;Wong WK

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非线性模型的局部最优设计需要一组未知参数的标称值。另一种方法是maximin方法,它允许用户为每个感兴趣的参数指定一个值范围。然而,最大化方法是困难的,因为我们首先必须确定每组标称值的局部最优设计,然后才能通过嵌套优化过程找到最大化类型的最优设计。研究表明,粒子群优化(PSO)技术可以有效地解决此类复杂的优化问题。我们首次证明了粒子群算法的数值结果可以帮助在紧致非负设计空间上找到具有3或4个参数的非线性模型的标准化最大d优化设计公式。此外,我们表明局部和标准化的最大d -最优设计的抑制模型并不一定支持最小个数的点。为了方便使用这些设计,我们创建了一个基于网络的工具,让实践者找到量身定制的本地和标准化的最大化最佳设计。
Locally optimal designs for nonlinear models require a single set of nominal values for the unknown parameters. An alternative is the maximin approach that allows the user to specify a range of values for each parameter of interest. However, the maximin approach is difficult because we first have to determine the locally optimal design for each set of nominal values before maximin types of optimal designs can be found via a nested optimization process. We show that particle swarm optimization (PSO) techniques can solve such complex optimization problems effectively. We demonstrate numerical results from PSO can help find, for the first time, formulae for standardized maximin D-optimal designs for nonlinear model with 3 or 4 parameters on the compact and nonnegative design space. Additionally, we show locally and standardized maximin D-optimal designs for inhibition models are not necessarily supported at a minimum number of points. To facilitate use of such designs, we create a web-based tool for practitioners to find tailor-made locally and standardized maximin optimal designs.
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