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Improved formulation of the latent variable model inversion–based optimization problem for quality by design applications

机译：通过设计应用改进了潜在模型基于模型反转的优化问题的制定

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Abstract >Latent variable regression model (LVRM) inversion is a relevant tool for finding, if they exist, different combinations of manufacturing conditions that yield the desired process outputs. Finding the best manufacturing conditions can be done by optimizing an appropriately formulated objective function using nonlinear programming. To this end, different formulations of the optimization problem based on LVRM inversion have been proposed in the literature that allow the use of happenstance data (eg, historical data) for this purpose, present lower computational costs than optimizing in the space of the original variables, and guarantee that the solution will conform to the correlation structure of available data from the past. However, these approaches, as presented, suffer from some limitations, such as having to actively modify the constraints imposed on the solution to achieve different sets of conditions to those available in the LVRM calibration dataset, or the lack of a standardized approach for optimizing a linear combination of variables. Furthermore, when minimizing or maximizing one or more outputs, a severe handicap is also present related to the definition of arbitrarily low or high “desired” values. This paper aims at tackling all of these issues. The resulting proposed formulation of the optimization problem is illustrated with three case studies. </abstract> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> <div class="translation abstracttxt"> <span class="zhankaihshouqi fivelineshidden" id="abstract"> <span>机译：</span><Abstract Type =“Main”XML：Lang =“en”> <标题类型=“main”>抽象</ title> >潜在可变回归模型（LVRM）反转是用于查找的相关工具，如果存在，则产生不同的制造条件的组合，从而产生所需的过程输出。通过使用非线性编程优化适当配制的目标函数，可以通过优化适当配制的目标函数来完成最佳制造条件。为此，在文献中提出了基于LVRM反转的优化问题的不同配方，其允许使用偶然数据（例如，历史数据）来实现该目的的较低的计算成本，而不是在原始变量的空间中优化并且保证解决方案将符合过去可用数据的相关结构。但是，如上所述，这些方法遭受了一些限制，例如必须主动修改解决方案上的约束，以实现LVRM校准数据集中可用的不同条件，或缺乏用于优化A的标准化方法变量的线性组合。此外，当最小化或最大化一个或多个输出时，还存在于与任意低或高“期望”值的定义相关的严重障碍。本文旨在解决所有这些问题。由此产生的优化问题的所得到的优化问题进行了三种案例研究。</ p> </摘要> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> </div> <div class="record"> <h2 class="all_title" id="enpatent33" >著录项</h2> <ul> <li> <span class="lefttit">来源</span> <div style="width: 86%;vertical-align: text-top;display: inline-block;"> <a href='/journal-foreign-33917/'>《Journal of Chemometrics》</a> <b style="margin: 0 2px;">|</b><span>2020年第6期</span><b style="margin: 0 2px;">|</b><span>共18页</span> </div> </li> <li> <div class="author"> <span class="lefttit">作者</span> <p id="fAuthorthree" class="threelineshidden zhankaihshouqi"> </p> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zkzz" style="display: none;">展开▼</span> </div> </li> <li> <div style="display: flex;"> <span class="lefttit">作者单位</span> <div style="position: relative;margin-left: 3px;max-width: 639px;"> <div class="threelineshidden zhankaihshouqi" id="fOrgthree"> </div> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zhdw" style="display: none;">展开▼</span> </div> </div> </li> <li > <span class="lefttit">收录信息</span> <span style="width: 86%;vertical-align: text-top;display: inline-block;"></span> </li> <li> <span class="lefttit">原文格式</span> <span>PDF</span> </li> <li> <span class="lefttit">正文语种</span> <span>eng</span> </li> <li> <span class="lefttit">中图分类</span> <span><a href="https://www.zhangqiaokeyan.com/clc/159.html" title="化学">化学;</a></span> </li> <li class="antistop"> <span class="lefttit">关键词</span> <p style="width: 86%;vertical-align: text-top;"> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=latent variable modelling&option=203" rel="nofollow">latent variable modelling;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=latent variable model inversion&option=203" rel="nofollow">latent variable model inversion;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=optimization in the latent space&option=203" rel="nofollow">optimization in the latent space;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=partial least‐squares (PLS)&option=203" rel="nofollow">partial least‐squares (PLS);</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=quality by design (QbD)&option=203" rel="nofollow">quality by design (QbD);</a> </p> <div class="translation"> 机译：潜在的变量建模;潜在变量模型反演;潜在空间的优化;部分最小二乘（PLS）;按设计质量（QBD）; </div> </li> </ul> </div> </div> <div class="literature cardcommon"> <div class="similarity "> <h3 class="all_title" id="enpatent66">相似文献</h3> <div class="similaritytab clearfix"> <ul> <li class="active" >外文文献</li> <li >中文文献</li> <li >专利</li> </ul> </div> <div class="similarity_details"> <ul > <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/journal-foreign-detail/0704025425457.html">Improved formulation of the latent variable model inversion–based optimization problem for quality by design applications</a> <b>[J]</b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> </a> <a href="/journal-foreign-33917/" target="_blank" rel="nofollow" class="tuijian_authcolor">Journal of Chemometrics .</a> <span>2020</span><span>,第6期</span> </span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：通过设计应用改进了潜在模型基于模型反转的优化问题的制定</span> </p> </li> <li> <div> <b>2. </b><a class="enjiyixqcontent" href="/journal-foreign-detail/0704022112467.html">Residual spaces in latent variables model inversion and their impact in the design space for given quality characteristics</a> <b>[J]</b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Ruiz S.&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">Ruiz S.,</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Sarabia L. 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