SHORT COMMUNICATION CLASSIFICATION METHODS FOR MULTIVARIATE QUALITY PARAMETERS

There are many chemical products where product conformity is decided upon by qualitative humanjudgements of overall product quality.Nowadays,quantitative instrumentally determined qualityparameters become available which are intended to replace such qualitative judgements by means ofautomatic decision rules using multivariate specification limits.Six classification methods to derive suchlimits are compared in terms of their power to predict corresponding human judgements on overall colorconformity of 17 dyestuffs based on historical quality data.Standard statistical classification methodsturned out to be unacceptable for the routine generation of decision rules because of the frequent distinctsuboptimality of their predictive power.Instead,a simple non-statistical classification method utilizinga priori knowledge about the underlying data structure yielded uniformly satisfactory decision rules.     

雅鲁藏布江中部流域沙地植被的分类和排序

选用模糊聚类分析方法,利用群落组种的相对盖度作为优势度指标,将该区沙地植被划分为22个群系,群系下又划分出了不同的群丛。同时,采用主分量分析(PCA)模型,对10个常见的群落类型进行了二维排序,比较直观和真实地反映了不同群落类型在土壤砾石化程度和土壤潜在肥力2个环境梯度上的分布情况。     

DISCRIMINANT PRINCIPAL COMPONENTS ANALYSIS

When the number of variables exceeds the number of samples, one method of multivariate discriminationis to use principal components analysis to reduce the dimensionality and then to perform canonicalvariates analysis (PC-CVA). This paper proposes an alternative approach in which discriminant analysisis carried out by a weighted principal component analysis of the group means (DPCA). This method doesnot require prior data reduction and produces discriminant factors that are orthogonal in the original dataspace. The theory and performance of the two methods are compared. Although the individual factors ofDPCA are found to be less discriminating than PC-CVA, the overall discrimination, calculated bymultivariate analysis of variance, and the predictive value, estimated by the leaving-one-out error rate,are broadly comparable.     

TESTING FOR REDUNDANCY IN PRODUCT QUALITY CONTROL TEST CRITERIA:AN APPLICATION TO AVIATION TURBINE FUEL

Given a set of test criteria that determine a quality specification,the question often arises whether anyof the tests are redundant because of intercorrelations.Simple selection of tests on the basis of partialcorrelations with the other tests is rejected on the basis that the random error in the data may be causingspurious correlations.One method is to use cross-validation to define the systematic principal components and examine thecorrelation structure in this reduced space.It is shown that the presence of principal componentsdominated by individual tests(‘variable specific’PCs),which are indicated by cross-validation as beingnon-systematic,must be taken into account.Having defined the dimensionality,a variable reductionmethod based on Procrustes rotation selects subsets of tests that preserve the structure of the samples inmultivariate space.This is an attractive proposition in the context of maintaining a quality controlspecification.It is also shown that the variable reduction technique can be used to aid the identificationof the true dimensionality of the data space.This approach is applied to a number of routine tests carriedout on aviation turbine fuel.     

广东地级市中心城市主成分聚类分析

本文对广东省２０个地级市中心城市进行了主成分聚类分析，并在此基础上对各中心城市的发展方向提出了初步的意见。     

应用主成分分析、聚类分析划分新疆绿洲生态经济类型的初步研究

本文结合新疆实际，采用多元统计中主成分分析法、聚类分析法，对新疆87个市县进行了生态经济类型划分。首先确立指标体系，然后用主成分分析法对原始数据进行筛选，接着用聚类分析法将87个市县划分为十大类型，最后对各类型生态经济现状进行了分析，评价和概述，为系统整体地认识和评价新疆各地区的生态经济协调发展现状，因地制宜地制定可持续发展政策提供科学依据。     

IMPROVEMENTS TO THE CLASSIFICATION PERFORMANCE OF RDA

Regularized discriminant analysis has proven to be a most effective classifier for problems wheretraditional classifiers fail because of a lack of sufficient training samples,as is often the case in high-dimensional settings.However,it has been shown that the model selection procedure of regularizeddiscriminant analysis,determining the degree of regularization,has some deficiencies associated with it.We propose a modified model selection procedure based on a new appreciation function.By means ofan extensive simulation it was shown that the new model selection procedure performs better than theoriginal one.We also propose that one of the control parameters of regularized discriminant analysis beallowed to take on negative values.This extension leads to an improved performance in certain situations.The results are confirmed using two chemical data sets.     

CROSS-VALIDATION, INFLUENTIAL OBSERVATIONS AND SELECTION OF VARIABLES IN CHEMOMETRIC STUDIES OF WINES BY PRINCIPAL COMPONENTS ANALYSIS

Cross-validatory estimation of the bilinear model based on principal components is reviewed andKrzanowski's modification of Wold's procedure is described. Two different types of residuals useful forchecking model adequacy are defined and indices measuring the influence of each observed unit on theestimates of the parameters are discussed. A method for the selection of variables derived from Procrustesanalysis is described. Results arising from the study of two sets of enological data are given.     

松嫩平原湖泊的分类与分区

松嫩湖泊群的湖泊具有面积小,湖盆浅,密度大,类型多的特点。根据“成因－水量－水质”三要素的综合分类方案,运用三要素的三个主导指标和三个辅助指标,简明地将松湖泊进行了分类。根据湖泊群的区域环境及湖泊主导类型与类型结合的区域差异,将松嫩湖泊群划分为６个亚区。     

中国贫困地区环境类型研究

本文指出贫困是困惑人类发展的世界性难题.中国存在592个重点扶贫县,按照环境特点可分为三大类型,即:(1)中部山地高原环境脆弱贫困带,包括蒙古高原东南边缘风蚀沙化贫困区、黄土高原沟壑水土严重流失贫困区、秦巴山地生态恶化贫困区、喀斯特高原丘陵环境危急贫困区、横断山脉高山峡谷封闭型贫困区等类型;(2)西部沙漠高寒山原环境恶劣贫困带,包括新疆、青海及西藏三省区的沙漠地区及青藏高原高寒区等类型;(3)东部平原山丘环境危急及革命根据地孤岛型贫困带,包括东北沿边地区、华北平原低洼盐碱地区;东部岛状分布的丘陵山区革命根据地贫困区.文中还论述了环境与贫困度的关系,即环境愈脆弱,贫困度愈高,脱贫难度愈大.但致贫因子又错综复杂,在某些特殊情况下,自然环境较好,而交通闭塞,信息不灵,技术落后,也阻碍致富.同一环境不同的政策机制,可以引发不同的结果.环境改造与脱贫,一定要有宏观战略规划和分类指导的方案,并有切实可行的操作办法.贫困地区即使解决了温饱,依然是低标准,向贫困开战仍将是21世纪中国的一项艰巨工程,只不过那时的贫困线划定标准有所变化而已.     

长江三角洲地区投资环境及其分级评价

本文阐释了投资环境的含义，分析了长江三角洲区域投资环境的总体特征，明确了投资环境的指标体系，采用“多指标综合价值评定法”对区域内部因长期社会、经济发展而形成的具有相似区域特征、地域上连片的上海、宁镇扬、苏锡常通、抗嘉湖、宁（波）绍舟等五个区域的投资环境状况作综合分级评判。     

湖南城市投资环境比较研究

选择反映经济发展水平、城市基础设施、对外交通状况、科教实力、环境状况、市场潜力等6类共20个因子构成湖南城市投资环境评价指标体系,运用主成分分析法,定量比较13个地级市投资环境优劣.长沙市的投资环境明显优于其它各市,13市按投资环境可分为4类,各类城市投资环境特征各异,改善措施也各有侧重.     

我国城市分类和城市发展问题的初步研究

本文认为适合当前中国城市发展的城市分类为:250万人口以上为特大城市,100—250万人口为大城市,30—100万人口为中等城市,10—30万人口为小城市,10万人口以下为小城镇。基于这个分类,中国城市发展应走多元化道路,城市系统和农村集镇系统将互相配合,共同发展,城市化进程还将具有阶段性和地域差异的特性。     

DETECTING AND ADJUSTING FOR NON-LINEARITIES IN CALIBRATION OF NEAR-INFRARED DATA USING PRINCIPAL COMPONENTS

A new regression method for non-linear near-infrared spectroscopic data is proposed.The technique isbased on a model which is linear in the principal components and simple functions(squares and products)of them.Added variable plots are used to determine which squares and products to incorporate into themodel.The regression coefficients are estimated by a Stein estimate which shrinks towards the estimatedetermined by the first several principal components and the selected non-linear terms.The technique isnot computationally intensive and is appropriate for routine predictions of chemical concentrations.Themethod is tested on three data sets and in all cases gives more accurate predictions than does linearprincipal components regression.     

MULTIVARIATE RESPONSE SURFACE MODELLING BY PRINCIPAL COMPONENTS ANALYSIS

Analysis of multivariate response data by modelling the principal components of the response has beenapplied to two sets of data. In both cases principal components analysis revealed the relationships amongthe response variables and exploited them to simplify the problem of modelling and optimizing themultivariate response. The models and optima obtained from the principal components comparedfavourably with the individual models and simultaneous optima.     

我国小城镇功能结构初探：以广东省为例

本文通过对广东省两种类型城镇的功能特征进行定量分析,探讨了广东省小城镇的功能结构,揭示了县城和非县城建制镇在企业所有制构成、就业结构、文教卫生设施、基础设施和接纳农村剩余劳动力等方面的差异。     

广东丹霞地貌分类研究

在前人研究的基础上,以物质基础、地质构造、主导动力、地貌形态、发育阶段等为分类依据,探讨了丹霞地貌的分类系统.针对广东丹霞地貌发育状况,根据丹霞地貌分类系统,对广东发育的丹霞地貌进行了各自的分类研究.     

CLASSIFICATION OF MASS SPECTRA

In order to investigate correlations between the functionality of compounds and the classification of theirmass spectra,low-resolution spectra of monofunctional compounds have been classified by foursupervised classification methods.The new classes are characterized by structural features and thecorrelation between functionality and classification is explained by fragmentation rules.Systematicmisclassifications show that low-resolution mass spectra alone are not suitable for reliable identificationof functionality.     

雅鲁藏布江河谷风沙地貌分类与发育问题

雅鲁藏布江河谷风沙地分类体系则４级２１个类型组成，其中风积地貌划分为谷底与谷坡风积地貌２个亚类。河谷风沙地貌面积１９２９．９４６ｋｍ＾２，可称为“雅鲁藏布江河谷沙地”。河谷区具有沙源，风动力和堆积场地等风沙地貌形成的基本条件。     

FACTOR ANALYSIS OF A SIMULATED DATA MATRIX INVOLVING AQUEOUS COMPLEX EQUILIBRIA

Abstract factor analyses were performed on databases consisting of simulated samples from aqueousequilbria.The program COMPLEX was used to generate equilibrium species in a system of three reactantmetals and five reactant bases.Reactant concentrations and pH were drawn from random-normaldistributions so that sample data vectors comprised a multivariate log-normal distribution of equilibriumconcentrations.In addition,sample groups were created containing different distributions for pH andreactant concentrations.Equilibrium species were shown to contain variance contributed by change in pH among samples aswell as change in reactant concentrations.Factor modelling revealed the qualitative relationships amongthe species and how the relationships change with pH.Factors also revealed those reactants containingvariance in the data matrix.In some cases,reactant variance obscured relationships between pH and theequilibrium species.Since factor modelling of a simulated data matrix revealed the expected chemical equilibriuminteractions,a potentially powerful tool exists for investigating the effects of outliers and error.