{"title":"Leveraging what you know: Versatile space-filling designs","authors":"Lu Lu, C. Anderson‐Cook","doi":"10.1080/08982112.2022.2161394","DOIUrl":null,"url":null,"abstract":"Abstract Space-filling designs continue to gain popularity for computer experiments. Uniformity of space-filling characteristics has been broadly sought after to provide good estimation and prediction abilities for a variety of complex models. This article presents case studies when additional information on the features of the underlying relationship may be leveraged for selecting alternative space-filling designs that offer improvements to meet specific experimental goals. Three types of nontraditional space-filling designs are illustrated to achieve different objectives to (1) allow varied density of design points across the input space, (2) obtain balanced performance on covering the input space and the range of the response values, and (3) effectively augment existing runs to achieve certain space-filling characteristic in a sequential experiment. The mechanics for implementing these design choices are described and their flexibility to adapt to other experimental scenarios is illustrated.","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":null,"pages":null},"PeriodicalIF":16.4000,"publicationDate":"2023-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"5","ListUrlMain":"https://doi.org/10.1080/08982112.2022.2161394","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 1
Abstract
Abstract Space-filling designs continue to gain popularity for computer experiments. Uniformity of space-filling characteristics has been broadly sought after to provide good estimation and prediction abilities for a variety of complex models. This article presents case studies when additional information on the features of the underlying relationship may be leveraged for selecting alternative space-filling designs that offer improvements to meet specific experimental goals. Three types of nontraditional space-filling designs are illustrated to achieve different objectives to (1) allow varied density of design points across the input space, (2) obtain balanced performance on covering the input space and the range of the response values, and (3) effectively augment existing runs to achieve certain space-filling characteristic in a sequential experiment. The mechanics for implementing these design choices are described and their flexibility to adapt to other experimental scenarios is illustrated.
期刊介绍:
Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance.
Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.