{"title":"基于拉曼光谱和代谢组学的多组学融合技术在系统性红斑狼疮早期诊断和活动性预测中的应用","authors":"Pei Liu , Xuguang Zhou , Xiaoyi Lv , Cheng Chen , Xiaomei Chen , Cainan Luo , Xue Wu , Chen Chen , Lijun Wu","doi":"10.1016/j.chemolab.2025.105513","DOIUrl":null,"url":null,"abstract":"<div><div>The combination of artificial intelligence and Raman spectroscopy provides new ideas and methods for auxiliary diagnosis of diseases. However, in systemic lupus erythematosus (SLE), there are problems of high pathological consistency and large overlap of spectral information, and single spectral omics cannot obtain ideal results. However, metabolomics has the advantages of directly reflecting the metabolic status in organisms and gaining in-depth understanding of the physiological and pathological states of organisms. At the same time, multi-omics fusion technology can effectively integrate the characteristics of different omics levels. Therefore, this study proposed a Multi-omics Decoupling-Bipartite Attentional Weighting (MDBAW) fusion model based on Raman spectroscopic omics and metabolomics data for the first time. The model fully considers the unique and shared representations between omics, and adds attention weight modules at the input and output ends to give more weight to the features with large amount of information in the two omics modalities. Finally, the experimental results on three data sets proved that the MDBAW model is superior to single-omics and other advanced multi-omics fusion models, and can effectively improve the accuracy of SLE classification diagnosis and activity prediction. In addition, through the correlation analysis of Raman spectroscopic omics and metabolomics data and KEGG pathway analysis, the interpretability of the fusion of these two omics in auxiliary disease diagnosis applications was verified, and the ability of Raman spectroscopy to detect metabolites was proved.</div></div>","PeriodicalId":9774,"journal":{"name":"Chemometrics and Intelligent Laboratory Systems","volume":"266 ","pages":"Article 105513"},"PeriodicalIF":3.8000,"publicationDate":"2025-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Application of multi-omics fusion technique based on Raman spectroscopy and metabolomics in early diagnosis and activity prediction of systemic lupus erythematosus\",\"authors\":\"Pei Liu , Xuguang Zhou , Xiaoyi Lv , Cheng Chen , Xiaomei Chen , Cainan Luo , Xue Wu , Chen Chen , Lijun Wu\",\"doi\":\"10.1016/j.chemolab.2025.105513\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The combination of artificial intelligence and Raman spectroscopy provides new ideas and methods for auxiliary diagnosis of diseases. However, in systemic lupus erythematosus (SLE), there are problems of high pathological consistency and large overlap of spectral information, and single spectral omics cannot obtain ideal results. However, metabolomics has the advantages of directly reflecting the metabolic status in organisms and gaining in-depth understanding of the physiological and pathological states of organisms. At the same time, multi-omics fusion technology can effectively integrate the characteristics of different omics levels. Therefore, this study proposed a Multi-omics Decoupling-Bipartite Attentional Weighting (MDBAW) fusion model based on Raman spectroscopic omics and metabolomics data for the first time. The model fully considers the unique and shared representations between omics, and adds attention weight modules at the input and output ends to give more weight to the features with large amount of information in the two omics modalities. Finally, the experimental results on three data sets proved that the MDBAW model is superior to single-omics and other advanced multi-omics fusion models, and can effectively improve the accuracy of SLE classification diagnosis and activity prediction. In addition, through the correlation analysis of Raman spectroscopic omics and metabolomics data and KEGG pathway analysis, the interpretability of the fusion of these two omics in auxiliary disease diagnosis applications was verified, and the ability of Raman spectroscopy to detect metabolites was proved.</div></div>\",\"PeriodicalId\":9774,\"journal\":{\"name\":\"Chemometrics and Intelligent Laboratory Systems\",\"volume\":\"266 \",\"pages\":\"Article 105513\"},\"PeriodicalIF\":3.8000,\"publicationDate\":\"2025-08-20\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chemometrics and Intelligent Laboratory Systems\",\"FirstCategoryId\":\"94\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0169743925001984\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"AUTOMATION & CONTROL SYSTEMS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemometrics and Intelligent Laboratory Systems","FirstCategoryId":"94","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0169743925001984","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"AUTOMATION & CONTROL SYSTEMS","Score":null,"Total":0}
Application of multi-omics fusion technique based on Raman spectroscopy and metabolomics in early diagnosis and activity prediction of systemic lupus erythematosus
The combination of artificial intelligence and Raman spectroscopy provides new ideas and methods for auxiliary diagnosis of diseases. However, in systemic lupus erythematosus (SLE), there are problems of high pathological consistency and large overlap of spectral information, and single spectral omics cannot obtain ideal results. However, metabolomics has the advantages of directly reflecting the metabolic status in organisms and gaining in-depth understanding of the physiological and pathological states of organisms. At the same time, multi-omics fusion technology can effectively integrate the characteristics of different omics levels. Therefore, this study proposed a Multi-omics Decoupling-Bipartite Attentional Weighting (MDBAW) fusion model based on Raman spectroscopic omics and metabolomics data for the first time. The model fully considers the unique and shared representations between omics, and adds attention weight modules at the input and output ends to give more weight to the features with large amount of information in the two omics modalities. Finally, the experimental results on three data sets proved that the MDBAW model is superior to single-omics and other advanced multi-omics fusion models, and can effectively improve the accuracy of SLE classification diagnosis and activity prediction. In addition, through the correlation analysis of Raman spectroscopic omics and metabolomics data and KEGG pathway analysis, the interpretability of the fusion of these two omics in auxiliary disease diagnosis applications was verified, and the ability of Raman spectroscopy to detect metabolites was proved.
期刊介绍:
Chemometrics and Intelligent Laboratory Systems publishes original research papers, short communications, reviews, tutorials and Original Software Publications reporting on development of novel statistical, mathematical, or computer techniques in Chemistry and related disciplines.
Chemometrics is the chemical discipline that uses mathematical and statistical methods to design or select optimal procedures and experiments, and to provide maximum chemical information by analysing chemical data.
The journal deals with the following topics:
1) Development of new statistical, mathematical and chemometrical methods for Chemistry and related fields (Environmental Chemistry, Biochemistry, Toxicology, System Biology, -Omics, etc.)
2) Novel applications of chemometrics to all branches of Chemistry and related fields (typical domains of interest are: process data analysis, experimental design, data mining, signal processing, supervised modelling, decision making, robust statistics, mixture analysis, multivariate calibration etc.) Routine applications of established chemometrical techniques will not be considered.
3) Development of new software that provides novel tools or truly advances the use of chemometrical methods.
4) Well characterized data sets to test performance for the new methods and software.
The journal complies with International Committee of Medical Journal Editors'' Uniform requirements for manuscripts.