L 1 范数支持向量机在代谢组学中的应用
收稿日期: 2014-06-20
修回日期: 2015-01-12
网络出版日期: 2015-03-05
基金资助
国家青年自然科学基金资助项目(21105115).
L1-Norm Support Vector Machine and Its Application in Metabonomics
Received date: 2014-06-20
Revised date: 2015-01-12
Online published: 2015-03-05
Supported by
国家青年自然科学基金资助项目(21105115).
代谢组学是关于生物体内源性代谢物质的整体及其变化规律的科学,也是一个数据密集型的研究领域,由此使得模式识别在代谢数据处理中有重要作用.L1 范数支持向量机(L1-Norm Support Vector Machines, L1-norm SVMs)作为在模式识别领域中准确、稳健的方法,在代谢组学中的应用较少.该文应用L1-norm SVM 方法对小鼠感染血吸虫后的代谢数据进行了分析,分析结果显示L1-norm SVM 在聚类与特征选择方面具有优势,并表明它在代谢组学领域的应用有着潜力和前景.
丁国辉1 , 2 , 4 , 孙建强1 , 2 , 4 , 吴俊芳1 , 2 , 3 , 黄慎 1 , 2 , 4 , 丁义明1 , 2 . L 1 范数支持向量机在代谢组学中的应用[J]. 波谱学杂志, 2015 , 32(1) : 67 -77 . DOI: 10.11938/cjmr20150108
Metabonomics analyzes metabolite profiles in living systems and its dynamic responses to changes of endogenous (i.e., physiology and development) and exogenous(i.e., environment and xenobiotics) factors. Pattern recognition plays an important role in data-processing in metabonomic. L1-norm support vector machine (L1-norm SVM) is an accurate and robust method in pattern recognition, but not widely used in metabonomics. In this study, we used L1-norm SVM to analyze metabonomic data obtained from mice infected by schistosomiasis. It was shown that L1-norm SVM had better performance than
orthogonal partial least squares (O-PLS) in terms of clustering and feature selection. The results also showed that support vector machines have great potential and prospects for data-processing in metabonomics.
[1] Guo Bin(郭宾), Dai Ren-ke(戴仁科). Current trends in analytical methodologies and experimental strategies for metabonomics(代谢组学及其研究策略和分析方法进展)[J]. Chinese Journal of Health Laboratory Technology(中国卫生检验杂志), 2007, 17(3): 554-563.
[2] Tang Hui-ru(唐惠儒), Wang Yu-lan(王玉兰). Metabonomics(代谢组研究)[J]. Chinese Bulletin of Life Sciences(生命科学), 2007, 19(3), 272-280.
[3] Nicholson J K, Lindon J C, Holmes E. 'Metabonomics': understanding the metabolic responses of living systems to pathophysiological stimuli via multivariate statistical analysis of biological NMR spectroscopic data[J]. Xenobiotica, 1999, 29(11): 1 181-1 189.
[4] Xu Guo-wang(许国旺), Yang Jun(杨军). Recent advances in metabonomics(代谢组学及其研究进展)[J]. Chinese Journal of Chromatography(色谱), 2003, 21(4): 316-320.
[5] Qiu Yu-jie(邱玉洁), Xia Sheng-an(夏圣安), Ye Chao-hui(叶朝辉), et al. Pattern recognition methods in biomedical magnetic resonance(生物医学核磁共振中的模式识别方法)[J]. Chinese J Magn Reson(波谱学杂志), 2005, 22(1): 99-111.
[6] Hastie T, Tibshirani R, Friedman J, et al. The elements of statistical learning: data mining, inference and prediction[J]. The Mathematical Intelligencer, 2005, 27(2): 83-85.
[7] Bradley P S, Mangasarian O L. Feature selection via concave minimization and support vector machines[J]. International Council for Machinery Lubrication, 1998, 98: 82-90.
[8] Li T, Zhang C L, Ogihara M. A comparative study of feature selection and multiclass classification methods for tissue classification based on gene expression[J]. Bioinformatics, 2004, 20(15): 2 429-2 437.
[9] Guyon I, Elisseeff A. An introduction to variable and feature selection[J]. The Journal of Machine Learning Research, 2003, 3: 1 157-1 182.
[10] Zhang Xue-Gong(张学工). Introduction to statistical learning theory and support vector machines (关于统计学习理论与支持向量机)[J]. Acta Automatica Sinica(自动化学报), 2000, 26(1): 32-42.
[11] Chang C C, Lin C G. LIBSVM: A library for support vector machines[J]. ACM Transactions on Intelligent Systems and Technology(TIST), 2011, 2(3): 27-66.
[12] Guan W , Zhou M, Hampton C Y, et al. Ovarian cancer detection from metabolomic liquid chromatography/mass spectrometry data by support vector machines[J]. BMC Bioinformatics, 2009, 10(1): 259-274.
[13] Wu J F, Xu W X, Ming Z P, et al. Metabolic changes reveal the development of schistosomiasis in mice[J]. PLoS Neglected Tropical Diseases, 2010, 4(8): e807-818.
[14] Haaland D M, Thomas E V. Partial least-squares methods for spectral analyses. 1. Relation to other quantitative calibration methods and the extraction of qualitative information[J]. Anal Chem, 1988, 60(11): 1 193-1 202..
[15] Tobias R D. An introduction to partial least squares regression[J]. Proc. Ann. SAS Users Group Int. Conf, 1995, 20: 2-5.
[16] Barker M, Rayens W. Partial least squares for discrimination[J]. J Chemometr, 2003, 17(3): 166-173.
[17] Rosipal R, Trejo L J. Kernel partial least squares regression in reproducing kernel hilbert space[J]. The Journal of Machine Learning Research, 2009, 2: 97-123.
[18] Trygg J, Wold S. Orthogonal projections to latent structures (O-PLS)[J]. J Chemometr, 2002, 16(3): 119-128.
[19] Bylesjö M, Rantalainen M, Nicholson J K, et al. K-OPLS package: Kernel-based orthogonal projections to latent structures for prediction and interpretation in feature space[J]. BMC Bioinformatics, 2008, 9(1): 106-113.
[20] Tibshirani R, Hastie T, Narasimhan B, et al. Diagnosis of multiple cancer types by shrunken centroids of gene expression[J]. Proc Natl Acad Sci USA, 2002, 99(10): 6 567-6 572.
[21] Smola A J, Schölkopf B. A tutorial on support vector regression[J]. Statistics and Computing, 2004, 14(3): 199-222.
[22] Friedman J, Hastie T, Tibshirani R. Special invited paper additive logistic regression: A statistical view of boosting[J]. Annals of Statistics, 2000(2): 337-374.
[23] Allwein E L, Schapire R E, Singer Y. Reducing multiclass to binary: A unifying approach for margin classifiers[J]. J Mach Learn Res, 2001, (1): 113-141.
[24] Weston J, Watkins C. Technical Report CSD-TR-98-04 Multi-Class Support Vector Machines[C]. London: University of London, 1998.
[25] Wang L, Shen X. On L1-norm multiclass support vector machines[J]. J Am Stat Assoc, 2007, 102(478): 583-594.
[26] Wang Ding-cheng(王定成), Fang Ting-jian(方廷健), Tang Yi(唐毅) , et al. Review of support vector machines regression theory and control(支持向量机回归理论与控制的综述)[J]. Pattem Recognition and Aitificial Intelligence(模式识别与人工智能), 2003, 16(2): 192-197.
[27] Yu H, Kim S. SVM Tutorial: Classification, regression and ranking[J]. Handbook of Natural Computing. Springer Berlin Heidelberg, 2012, (2): 479-506
[28] Zhu J, Rosset S, Hastie T, Tibshirani R. 1-norm support vector machines[J]. Advances in Neural Information Processing Systems, 2004, (1): 49-56.
[29] Hastie T, Rosset S, Tibshirani R, et al. The entire regularization path for the support vector machine[J]. J Mach Learn Res, 2004, (5): 1 391-1 415
[30] Kang J, Choi M Y, Kang S, et al. Application of a 1H nuclear magnetic resonance (NMR) metabolomics approach combined with orthogonal projections to latent structure-discriminant analysis as an efficient tool for discriminating between Korean and Chinese herbal medicines[J]. J Agr Food Chem, 2008, 56(24): 11 589-11 595.
/
| 〈 |
|
〉 |