{"title":"分子大数据中基于归一化滤波分数的权重自适应套索","authors":"Abhijeet R. Patil, Byung-Kwon Park, Sangjin Kim","doi":"10.1142/s0219633620400106","DOIUrl":null,"url":null,"abstract":"The molecular big data are highly correlated, and numerous genes are not related. The various classification methods performance mainly rely on the selection of significant genes. Sparse regularized regression (SRR) models using the least absolute shrinkage and selection operator (lasso) and adaptive lasso (alasso) are popularly used for gene selection and classification. Nevertheless, it becomes challenging when the genes are highly correlated. Here, we propose a modified adaptive lasso with weights using the ranking-based feature selection (RFS) methods capable of dealing with the highly correlated gene expression data. Firstly, an RFS methods such as Fisher’s score (FS), Chi-square (CS), and information gain (IG) are employed to ignore the unimportant genes and the top significant genes are chosen through sure independence screening (SIS) criteria. The scores of the ranked genes are normalized and assigned as proposed weights to the alasso method to obtain the most significant genes that were proven to be biologically related to the cancer type and helped in attaining higher classification performance. With the synthetic data and real application of microarray data, we demonstrated that the proposed alasso method with RFS methods is a better approach than the other known methods such as alasso with filtering such as ridge and marginal maximum likelihood estimation (MMLE), lasso and alasso without filtering. The metrics of accuracy, area under the receiver operating characteristics curve (AUROC), and geometric mean (GM-mean) are used for evaluating the performance of the models.","PeriodicalId":49976,"journal":{"name":"Journal of Theoretical & Computational Chemistry","volume":"1 1","pages":""},"PeriodicalIF":2.4000,"publicationDate":"2020-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1142/s0219633620400106","citationCount":"2","resultStr":"{\"title\":\"Adaptive lasso with weights based on normalized filtering scores in molecular big data\",\"authors\":\"Abhijeet R. Patil, Byung-Kwon Park, Sangjin Kim\",\"doi\":\"10.1142/s0219633620400106\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The molecular big data are highly correlated, and numerous genes are not related. The various classification methods performance mainly rely on the selection of significant genes. Sparse regularized regression (SRR) models using the least absolute shrinkage and selection operator (lasso) and adaptive lasso (alasso) are popularly used for gene selection and classification. Nevertheless, it becomes challenging when the genes are highly correlated. Here, we propose a modified adaptive lasso with weights using the ranking-based feature selection (RFS) methods capable of dealing with the highly correlated gene expression data. Firstly, an RFS methods such as Fisher’s score (FS), Chi-square (CS), and information gain (IG) are employed to ignore the unimportant genes and the top significant genes are chosen through sure independence screening (SIS) criteria. The scores of the ranked genes are normalized and assigned as proposed weights to the alasso method to obtain the most significant genes that were proven to be biologically related to the cancer type and helped in attaining higher classification performance. With the synthetic data and real application of microarray data, we demonstrated that the proposed alasso method with RFS methods is a better approach than the other known methods such as alasso with filtering such as ridge and marginal maximum likelihood estimation (MMLE), lasso and alasso without filtering. The metrics of accuracy, area under the receiver operating characteristics curve (AUROC), and geometric mean (GM-mean) are used for evaluating the performance of the models.\",\"PeriodicalId\":49976,\"journal\":{\"name\":\"Journal of Theoretical & Computational Chemistry\",\"volume\":\"1 1\",\"pages\":\"\"},\"PeriodicalIF\":2.4000,\"publicationDate\":\"2020-06-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1142/s0219633620400106\",\"citationCount\":\"2\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Theoretical & Computational Chemistry\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1142/s0219633620400106\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"Computer Science\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Theoretical & Computational Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1142/s0219633620400106","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"Computer Science","Score":null,"Total":0}
Adaptive lasso with weights based on normalized filtering scores in molecular big data
The molecular big data are highly correlated, and numerous genes are not related. The various classification methods performance mainly rely on the selection of significant genes. Sparse regularized regression (SRR) models using the least absolute shrinkage and selection operator (lasso) and adaptive lasso (alasso) are popularly used for gene selection and classification. Nevertheless, it becomes challenging when the genes are highly correlated. Here, we propose a modified adaptive lasso with weights using the ranking-based feature selection (RFS) methods capable of dealing with the highly correlated gene expression data. Firstly, an RFS methods such as Fisher’s score (FS), Chi-square (CS), and information gain (IG) are employed to ignore the unimportant genes and the top significant genes are chosen through sure independence screening (SIS) criteria. The scores of the ranked genes are normalized and assigned as proposed weights to the alasso method to obtain the most significant genes that were proven to be biologically related to the cancer type and helped in attaining higher classification performance. With the synthetic data and real application of microarray data, we demonstrated that the proposed alasso method with RFS methods is a better approach than the other known methods such as alasso with filtering such as ridge and marginal maximum likelihood estimation (MMLE), lasso and alasso without filtering. The metrics of accuracy, area under the receiver operating characteristics curve (AUROC), and geometric mean (GM-mean) are used for evaluating the performance of the models.
期刊介绍:
The Journal of Theoretical and Computational Chemistry (JTCC) is an international interdisciplinary journal aimed at providing comprehensive coverage on the latest developments and applications of research in the ever-expanding field of theoretical and computational chemistry.
JTCC publishes regular articles and reviews on new methodology, software, web server and database developments. The applications of existing theoretical and computational methods which produce significant new insights into important problems are also welcomed. Papers reporting joint computational and experimental investigations are encouraged. The journal will not consider manuscripts reporting straightforward calculations of the properties of molecules with existing software packages without addressing a significant scientific problem.
Areas covered by the journal include molecular dynamics, computer-aided molecular design, modeling effects of mutation on stability and dynamics of macromolecules, quantum mechanics, statistical mechanics and other related topics.