主成分分析和主成分回归.ppt

2016-11-1016:45:42./ponent Analysis and Regression物以类聚,人以群分物以类聚,人以群分一系列问题?一系列问题?./bbs/Laozhu的地盘,laozhu的讲稿先发布今日网络讨论题查阅PCA的各种应用实例。讨论你擅长的数据处理/编程方式?如何数理解“主成分”?./bbs/Laozhu的地盘,laozhu的讲稿3/51USV××Y有关这个分类的一系列疑问特征通常会很多吗?每个特征的差异都很大吗?要直观的分类图维数有限制吗?提前的特征都像身高那样意义明确吗?许多特征到底取哪2个呢?YESNO123NO新学问2016-11-1016:45:42./bbs1. Introduction1. ponent Analysis and Regression2. PCA2. PCA3. PCR3. PCR2016-11-1016:45:43./bbs1. Necessary Necessary Knowledge./bbs/Laozhu的地盘, Chemometrics1) 1970S发展2) 交叉学科3) 现代仪器4) 一个例子1971:瑞典人S. Wold 基金项目定名时首提1974:S. Wold . Kowalski倡议在西雅图首开学术会议新创学术刊物J. Chem. Info. Comp. Sci. J. Chemometrics Chemom. Intell. Lab. Stoichiometry需要化学计量学获得更多信息BACK应用数学、统计学、与计算机科学的手段设计或优化量测方法,并通过解析数据最大限度地获取化学及相关信息。化学分析化学数学统计学计算机科学接口./bbs/Laozhu的地盘,laozhu的讲稿Hyphenated InstrumentHyphenated InstrumentSeparation InstrumentSignalInstrumentHPLC DAD (diode-array detector)GCMS (Mass-spectrometer)HPLC-DADHPLC-DAD??Get more dataGet more 106Retention time(s)IntensityAB3D chromatogramHPLC chromatogram of nuclueside of Cordyceps Sinensis (冬蟲草) at one wavelength./bbs/Laozhu的地盘,laozhu的讲稿GC-MSGC chromatogram of peptic powder (平胃散)Mass spectrum taken at retention time minutesBACK??Two-way data Two-way data containing both containing both chromatography and chromatography and spectraspectra;;??Data matrix with Data matrix with more than 80 more than 80 Megabytes;Megabytes;??Data base of lots of Data base of lots of chemical standardschemical standards./bbs/Laozhu的地盘,laozhu的讲稿梁逸曾教授的经历梁逸曾教授的经历05101520253035-2000200400600800100012001234567891011121314 Time/minmAU美国标准局16组分PAH混合物标样(Sulpeco)已知峰9为苯并[