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Exploring the latent variable space of PLS2 by post‐transformation of the score matrix (ptLV)

机译:通过分数矩阵(PTLV)的转换探索PLS2的潜变量空间

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摘要

Abstract >Projection to Latent Structures (PLS) regression is largely applied in chemometrics. The most used algorithm for performing PLS is probably PLS2. PLS2 solves the problem of redundancy and collinearity in complex data sets and produces a small set of latent variables that can be used to investigate complex phenomena. However, the presence of specific cluster structures or trends in the data can drive PLS2 towards wrong directions and a redundant number of latent variables is generated. To overcome this unexpected behaviour, OSC‐based methods were developed. The main idea was to use the concept of orthogonality to identified two different type of sources of structured variation which are modeled into two different subspaces: the non‐predictive subspace described by latent variables orthogonal to the Y‐response and the predictive subspace related to the Y‐response. OSC‐based methods work on the variable space producing suitable weight vectors to project the data. In this study, a new post‐transformation method, called post‐transformation of the Latent Variable space (ptLV), is introduced. The method generates a latent space isomorphic to that discovered by PLS2 where the non‐predictive data variation is separated from the predictive one. It works on the score space and can be applied also to kernel‐PLS2 (KPLS2). The relationships with post‐transformation of PLS2 (ptPLS2) are investigated and a real and two simulated data sets are used to illustrate how ptLV works in practice. </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> >投影到潜在结构(PLS)回归在很大程度上应用于化学计量学。用于执行PLS的最常用的算法可能是PLS2。 PLS2解决了复杂数据集中的冗余和共线性的问题,并产生了一小一组可用于调查复杂现象的一小一次潜在变量。然而,数据的存在或数据中的趋势可以驱动PLS2朝向错误的方向,并且产生冗余数量的潜变量。为了克服这种意外行为,开发了基于OSC的方法。主要思想是使用正交性的概念来识别两种不同类型的结构变化源,其建模成两个不同的子空间:由潜在变量描述的非预测子空间与y响应和与之相关的预测子空间描述的潜在变量和预测子空间。 y-response。基于OSC的方法在产生合适的权重向量的变量空间上工作,以投影数据。在本研究中,介绍了一种新的转换后方法,称为潜在变量空间(PTLV)的转换后。该方法生成由PLS2发现的潜在空间同构,其中非预测数据变化与预测性彼此分离。它适用于分数空间,也可以应用于Kernel-PLS2(KPLS2)。研究了PLS2(PTPLS2)后改造的关系,并且使用真实和两个模拟数据集来说明PTLV如何在实践中工作。</ 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1期</span><b style="margin: 0 2px;">|</b><span>共1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=post‐transformation of PLS2&option=203" rel="nofollow">post‐transformation of PLS2;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=predictive and non‐predictive latent variables&option=203" rel="nofollow">predictive and non‐predictive latent variables;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Projection to Latent Structures regression&option=203" rel="nofollow">Projection to Latent Structures regression;</a> </p> <div class="translation"> 机译:PLS2后转换;预测和非预测潜在变量;投影到潜在结构回归; </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/0704025425490.html">Exploring the latent variable space of PLS2 by post‐transformation of the score matrix (ptLV)</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1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:通过分数矩阵(PTLV)的转换探索PLS2的潜变量空间</span> </p> </li> <li> <div> <b>2. </b><a class="enjiyixqcontent" href="/journal-foreign-detail/070409330183.html">A latent variable transformation model approach for exploring dysphagia</a> <b>[J]</b> . <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Anna C. 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pressure unit impinging postal items in direction of printing device, and spacer ensuring specific distance between upper surface of postal item that is to be printed and matrix print head</a> <b>[P]</b> . <span> 外国专利: <!-- 德国专利: --> DE102007059964A1 </span> <span> . 2009-06-18</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:邮政物品,即平信印刷设备,具有在打印设备的方向上撞击邮政物品的压力单元,以及用于确保要印刷的邮政物品的上表面和矩阵打印头之间的特定距离的垫片 </span> </p> </li> <li> <div> <b>5. </b><a class="enjiyixqcontent" href="/patent-detail/06130429270619.html">Postal item i.e. flat letter printing device, has pressure unit impinging postal items in direction of printing device, and spacer ensuring specific distance between upper surface of postal item that is to be printed and matrix print head</a> <b>[P]</b> . <span> 外国专利: <!-- 德国专利: --> DE102007046855A1 </span> <span> . 2009-04-02</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:邮政物品,即平信印刷设备,具有在打印设备的方向上撞击邮政物品的压力单元,以及用于确保要印刷的邮政物品的上表面和矩阵打印头之间的特定距离的垫片 </span> </p> </li> </ul> </div> </div> </div> <div class="theme cardcommon" style="overflow: auto;display:none"> <h3 class="all_title" id="enpatent55">相关主题</h3> <ul id="subject"> </ul> </div> </div> </div> </div> <div class="right rightcon"> <div class="details_img cardcommon clearfix" style="margin-bottom: 10px;display:none;" > </div> </div> </div> <div id="thesis_get_original1" class="downloadBth" style="bottom: 19px;z-index: 999;" onclick="ywcd('0704025425490','4',7,2,1,'',this,24)" class="delivery" prompt="010401" title="通过人工服务将文献原文发送至邮箱" >获取原文</div> <div class="journalsub-pop-up" style="display: none"> <div class="journal-sub"> <h2>期刊订阅</h2> <img src="https://cdn.zhangqiaokeyan.com/img/loginclose.png" alt="关闭" onclick="$('.journalsub-pop-up').hide()"> <p 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