{"title":"修改和改进用于计算全局动态优化状态松弛的 RPD 方法的实现方法","authors":"","doi":"10.1007/s10898-024-01381-5","DOIUrl":null,"url":null,"abstract":"<h3>Abstract</h3> <p>This paper presents an improved method for computing convex and concave relaxations of the parametric solutions of ordinary differential equations (ODEs). These are called state relaxations and are crucial for solving dynamic optimization problems to global optimality via branch-and-bound (B &B). The new method improves upon an existing approach known as relaxation preserving dynamics (RPD). RPD is generally considered to be among the best available methods for computing state relaxations in terms of both efficiency and accuracy. However, it requires the solution of a hybrid dynamical system, whereas other similar methods only require the solution of a simple system of ODEs. This is problematic in the context of branch-and-bound because it leads to higher cost and reduced reliability (i.e., invalid relaxations can result if hybrid mode switches are not detected numerically). Moreover, there is no known sensitivity theory for the RPD hybrid system. This makes it impossible to compute subgradients of the RPD relaxations, which are essential for efficiently solving the associated B &B lower bounding problems. To address these limitations, this paper presents a small but important modification of the RPD theory, and a corresponding modification of its numerical implementation, that crucially allows state relaxations to be computed by solving a system of ODEs rather than a hybrid system. This new RPD method is then compared to the original using two examples and shown to be more efficient, more robust, and of almost identical accuracy.</p>","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":null,"pages":null},"PeriodicalIF":16.4000,"publicationDate":"2024-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Modification and improved implementation of the RPD method for computing state relaxations for global dynamic optimization\",\"authors\":\"\",\"doi\":\"10.1007/s10898-024-01381-5\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<h3>Abstract</h3> <p>This paper presents an improved method for computing convex and concave relaxations of the parametric solutions of ordinary differential equations (ODEs). These are called state relaxations and are crucial for solving dynamic optimization problems to global optimality via branch-and-bound (B &B). The new method improves upon an existing approach known as relaxation preserving dynamics (RPD). RPD is generally considered to be among the best available methods for computing state relaxations in terms of both efficiency and accuracy. However, it requires the solution of a hybrid dynamical system, whereas other similar methods only require the solution of a simple system of ODEs. This is problematic in the context of branch-and-bound because it leads to higher cost and reduced reliability (i.e., invalid relaxations can result if hybrid mode switches are not detected numerically). Moreover, there is no known sensitivity theory for the RPD hybrid system. This makes it impossible to compute subgradients of the RPD relaxations, which are essential for efficiently solving the associated B &B lower bounding problems. To address these limitations, this paper presents a small but important modification of the RPD theory, and a corresponding modification of its numerical implementation, that crucially allows state relaxations to be computed by solving a system of ODEs rather than a hybrid system. This new RPD method is then compared to the original using two examples and shown to be more efficient, more robust, and of almost identical accuracy.</p>\",\"PeriodicalId\":1,\"journal\":{\"name\":\"Accounts of Chemical Research\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":16.4000,\"publicationDate\":\"2024-03-23\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Accounts of Chemical Research\",\"FirstCategoryId\":\"100\",\"ListUrlMain\":\"https://doi.org/10.1007/s10898-024-01381-5\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"100","ListUrlMain":"https://doi.org/10.1007/s10898-024-01381-5","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Modification and improved implementation of the RPD method for computing state relaxations for global dynamic optimization
Abstract
This paper presents an improved method for computing convex and concave relaxations of the parametric solutions of ordinary differential equations (ODEs). These are called state relaxations and are crucial for solving dynamic optimization problems to global optimality via branch-and-bound (B &B). The new method improves upon an existing approach known as relaxation preserving dynamics (RPD). RPD is generally considered to be among the best available methods for computing state relaxations in terms of both efficiency and accuracy. However, it requires the solution of a hybrid dynamical system, whereas other similar methods only require the solution of a simple system of ODEs. This is problematic in the context of branch-and-bound because it leads to higher cost and reduced reliability (i.e., invalid relaxations can result if hybrid mode switches are not detected numerically). Moreover, there is no known sensitivity theory for the RPD hybrid system. This makes it impossible to compute subgradients of the RPD relaxations, which are essential for efficiently solving the associated B &B lower bounding problems. To address these limitations, this paper presents a small but important modification of the RPD theory, and a corresponding modification of its numerical implementation, that crucially allows state relaxations to be computed by solving a system of ODEs rather than a hybrid system. This new RPD method is then compared to the original using two examples and shown to be more efficient, more robust, and of almost identical accuracy.
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.