{"title":"通过行和列计算稀疏雅可比矩阵","authors":"A. Hossain, T. Steihaug","doi":"10.1080/10556789808805700","DOIUrl":null,"url":null,"abstract":"Efficient estimation of large sparse Jacobian matrices has been studied extensively in the last couple of years. It has been observed that the estimation of Jacobian matrix can be posed as a graph coloring problem. Elements of the matrix are estimated by taking divided difference in several directions corresponding to a group of structurally independent columns. Another possibility is to obtain the nonzero elements by means of the so called Automatic differentiation, which gives the estimates free of truncation error that one encounters in a divided difference scheme. In this paper we show that it is possible to exploit sparsity both in columns and rows by employing the forward and the reverse mode of Automatic differentiation. A graph-theoretic characterization of the problem is given.","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":null,"pages":null},"PeriodicalIF":16.4000,"publicationDate":"1998-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"45","resultStr":"{\"title\":\"Computing a sparse Jacobian matrix by rows and columns\",\"authors\":\"A. Hossain, T. Steihaug\",\"doi\":\"10.1080/10556789808805700\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Efficient estimation of large sparse Jacobian matrices has been studied extensively in the last couple of years. It has been observed that the estimation of Jacobian matrix can be posed as a graph coloring problem. Elements of the matrix are estimated by taking divided difference in several directions corresponding to a group of structurally independent columns. Another possibility is to obtain the nonzero elements by means of the so called Automatic differentiation, which gives the estimates free of truncation error that one encounters in a divided difference scheme. In this paper we show that it is possible to exploit sparsity both in columns and rows by employing the forward and the reverse mode of Automatic differentiation. A graph-theoretic characterization of the problem is given.\",\"PeriodicalId\":1,\"journal\":{\"name\":\"Accounts of Chemical Research\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":16.4000,\"publicationDate\":\"1998-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"45\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Accounts of Chemical Research\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://doi.org/10.1080/10556789808805700\",\"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":"5","ListUrlMain":"https://doi.org/10.1080/10556789808805700","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Computing a sparse Jacobian matrix by rows and columns
Efficient estimation of large sparse Jacobian matrices has been studied extensively in the last couple of years. It has been observed that the estimation of Jacobian matrix can be posed as a graph coloring problem. Elements of the matrix are estimated by taking divided difference in several directions corresponding to a group of structurally independent columns. Another possibility is to obtain the nonzero elements by means of the so called Automatic differentiation, which gives the estimates free of truncation error that one encounters in a divided difference scheme. In this paper we show that it is possible to exploit sparsity both in columns and rows by employing the forward and the reverse mode of Automatic differentiation. A graph-theoretic characterization of the problem is given.
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.