Solutions reproducibility in multiresponse optimization problems: A new desirability-based objective function

IF 3.8 2区 化学 Q2 AUTOMATION & CONTROL SYSTEMS
Nuno Costa , João Lourenço
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引用次数: 0

Abstract

Theoretical solutions for multiresponse problems may not yield the expected results when implemented in practice at the process and/or product level. Causes that have been overlooked and lead to such discrepancies in problems developed under the Response Surface Methodology framework are the magnitude of prediction errors in some regions of the solution space, unreplicated experimental runs, and responses' sensitivity to changes in the values of response model variables. That discrepancy value must be minimized and can be managed in the generation of optimal solutions. Therefore, to improve the reproducibility of theoretical solutions, a new desirability-based function is proposed. This objective function allows to balance the response's bias, predictions quality, robustness, and resilience according to the decision maker's preferences. Two case studies demonstrate its flexibility and usefulness.
多响应优化问题解的可重复性:一种新的基于期望的目标函数
多响应问题的理论解决方案在过程和/或产品层面实施时可能无法产生预期的结果。在响应面方法框架下开发的问题中,导致这种差异的原因被忽视了,包括解决空间某些区域的预测误差的大小、未重复的实验运行以及响应对响应模型变量值变化的敏感性。该差异值必须最小化,并且可以在生成最优解时加以管理。因此,为了提高理论解的可重复性,提出了一种新的基于期望度的函数。这个目标函数可以根据决策者的偏好来平衡反应的偏差、预测质量、稳健性和弹性。两个案例研究证明了它的灵活性和实用性。
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来源期刊
CiteScore
7.50
自引率
7.70%
发文量
169
审稿时长
3.4 months
期刊介绍: Chemometrics and Intelligent Laboratory Systems publishes original research papers, short communications, reviews, tutorials and Original Software Publications reporting on development of novel statistical, mathematical, or computer techniques in Chemistry and related disciplines. Chemometrics is the chemical discipline that uses mathematical and statistical methods to design or select optimal procedures and experiments, and to provide maximum chemical information by analysing chemical data. The journal deals with the following topics: 1) Development of new statistical, mathematical and chemometrical methods for Chemistry and related fields (Environmental Chemistry, Biochemistry, Toxicology, System Biology, -Omics, etc.) 2) Novel applications of chemometrics to all branches of Chemistry and related fields (typical domains of interest are: process data analysis, experimental design, data mining, signal processing, supervised modelling, decision making, robust statistics, mixture analysis, multivariate calibration etc.) Routine applications of established chemometrical techniques will not be considered. 3) Development of new software that provides novel tools or truly advances the use of chemometrical methods. 4) Well characterized data sets to test performance for the new methods and software. The journal complies with International Committee of Medical Journal Editors'' Uniform requirements for manuscripts.
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