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SIMULATION METHODS llASED ON SAS SYSTEM Paul Miill~r - VIm University, Computing Center, F.R.G. Karin SchlauB - VIm University, Computing Center, F.R.G. Abstract Theory: In this paper we investigate the test statistics of Stein estimates as a non-linear alternative to the OLS· estimator in linear models. This is due because some statistical and numerical problems arise using OLS if the model assumptions are not fulfilled or we have some , correlations between the explanatory variables. T() avoid the above problems we look at the class of impr6ved estimation functions. But these estimators are in general biased and the distribution depends on the unknown parameters. ! Therefore test statistics aie not directly available. One alternative to calculate the relevant test statistics of 'improved estimation functions especially of the Stein-estimator is the use of computer-based simulation methods in order to approximates the empirical distribution of the estimation function. Here we use the Jackknife (Tukey [13]) and Bootstrap simulation method (Bfron [3]) to derive empirical confidence intervals for the Stein estimation function in a linear model. Example: We made an experiment to implement the algorithm in SAS. First the example was done with GAUSS2.0. But the time needed for the simulation of PC is very long and the GAUSS2.0 is mere a PC-SYSTEM. On the other hand there was the possibility to work with NAG or IMSL on Mainframe. At our computer site we have also implemented SAS on Cluster VAX941O/6440 and PC with the full power of all products. We want to demonstrate that it is a good idea to perform the simulation with SAS. We also show, that if standard capability is missing in SAS, there is the possibility to build it with the aid of SAS-Tools. Keywqrds Linear Model, Least Squares Regression, Stein-Rule Estimation, Standard Deviation, Singular Value Decomposition (svd), Jackknife, Bootstrap, Monte-Carlo-Simulation. 1 Introduction Here we consider the multiple linear regression moqel in the standardized form y = X {3 + u, where y is the (T x 1) vector of T observations of the dependent variable, X the (T x K) matrix of the explanatory variables with full rank K :S T, {3 the (K x 1) vector of the unknown parameters, and u the (T x 1) random vector with E[uJ = 0 and Var[u] = 0'21 where 0' is also unknown. In this model the unknown parameter vector {3 is usually estimated by the Ordinary Least Squares (OLS) estimation function b := (X':q-l X'y, which is normally distributed b rv N({3, 0'2 (X' x t 1 ) in the case of normality of u. For computational purposes and numerical representation we use the singular value decomposition (svd) described in Golub/Reinsch [6]. That i& applied to the (T x K) matrix X with K :S T we have the following decomposition: (1) where U'U = V'V = VV' = I and E := diag(O'b ... ,O'K). The diagonal elements of the matrix E are the non negative square roots of the eigenvalues of X' X j they are called the singular values. Using the singular value decomposition defined above we get the following representation of the OLS estimator b : b = VE-1U'y, (2) where the solution is unique iff all singular values are greater, than zero. 511. The problem of deriving test statistics for the unknown model parameters is the knowledge about the distribution of the related estimation function. But this distribution is correct only if all model assumptions are fulfilled. These assumptions can rarely be examined and thus, in most cases we have to reckon with a biased OLS estimator. Also we pave that the OLS estimation function is sensitive in the presence of correlation between the explanatory variables which yields statistical as well as numerical problems. If we use other classes of also biased estimation functions, i.e. "improved estimation functions" constructed by different criteria of goodness we have estimators which are e.g. more robust against multicollinearity. But unfortunately we do not know something about the joint distribution of these functions because the relevant parameters depend directly on the unknown parameters. Therefore we can not calculate the relevant test statistics directly. Here the jack~nife or bootstrap approach are appropriate simulation methods for evaluating the relevant test statistics in the class of improved estimators. 2 The Stein-Rule Estimation Func~ion A nontraditional nonlinear biased alternative to the OLS estimation function was given by Stein [12]. Here we consider a general class of Stein-Rule functions discussed e.g. by Judge/Bock [7], MUller [8] and Baur [1]. In the usual regression case where (7 is unknown, the so called Stein-Rule estimation function dSR is given as a nonlinear transformation of the OLS estimation function b as follows : dSR .- [IK - h(71)C]b = ASRb, (3) with transformation matrix ASR := [IK -h(71)C] where 71 := (b'Bb)/(T-K)fT2, Band Care (K x K) matrices and h is a real valued differentiable function. Under certain conditions of regularity on B, C, h(71) and if K ~ 3 we have: (4) as shown e.g. in Judge/Bock [7]. This result holds even if a weighted risk function is used. MoreQver for the Stein-Rule estimation function, the risk is always bounded by the risk of the OLS function, and we have: (5) Furthermore, if we have some a priori information about the unknown parametervector (3, it is possible to include this information in the estimation function. The result is that the risk of this new estimation function will always be close to the minimum of the risk function. Based on the criteria (4) we have we have that dSR is an improvement over OLS if the relevant shrinkage factors must lie in the interval (0,1]. This suggests the definition of an estimator which truncate the shrinkage factor by zero. The so called positive part Stein estimator is defined as : dtR := [Ix - M(p)]b, p' = (Pt. ···,PK), (6) where .(b'Bb) _ {C;h(1lBb/S), if c;h(b'Bb/s):::; 1 ai(b'Bb/s), if c;h(b'Bb/s) > 1 PI and aj (7) is a real-valued function such that: 2 - c;h(b'Bb/s):::; ai(1lBb/s):::; 1, 512. for c;h(b'Bb/s) > 1. (8) Unlike the estimator defined in (3) the positive part Stein estimation function defined in (6) can never change the sign of OLS estimates. Under this conditions the positive part Stein estimator will dominate the Stein estimator defined in (3) relatjve to the criterion (4) if Pi (11 Bb/ 8) differs from cjh(b' Bb/ 8) for some i = 1, ... , K on a set of positive measure see e.g. Judge/Bock [7]. Also with the svd we have with h(p hi ¥ 1, i = 1, ... , K that the transformation matrix ASR of the Stein Rule estimation function dSR has the following representation : ASR := V[IK - h('1)r)V', (9) where V consists of the eigenvectors of X' X, r = diag( 1'1, ... , 1'K) is the matrix of the eigenvalues of C, and h( '1) is a real valued function. Based on the above assumptions we can characterize the Stein-Rule estimator as a solution of a transformed least squares problem (see Miiller [8]) in the following way: dSR := VEsAU'y with EsR := ElIsA, (10) where IISR := (IK - h('1)r) = diag(1f'l, ... ,1f'K). For tlie positive part Stein estimator the diagonal elements of IIsR are truncated at zero. Moreover fur practical use of the Stein estimator we define C := (X'xtt, B := hand he,,) := a/'1 with a := (K - 2)/(T - K - 2) .. 3 The Jackknife and Bootstrap Approach Introduced by Quenouille [10] and named by Tukey [13), the jackknife technique provides a distribu~ tion free method of parameter estimates in linear ~odels. And because the jackknife removes bias of order n-t, it is an appropriate method in improved estimation. Denoting the estimation of the unknown parametervector P of a linear model when observation t, t = 1, ... , T is deleted by bC- t ), we have T estim",tes for each component of the unknown parametervector p. These sequences can be used as an estimate of the parameter vector p by taking the average. Because the bC-t) are based on partly the same information, the functions bC-t) t = I, ... , T are correlated. In order to get approximately independent estimates, Tukey [13] introduced the "pseudovalues" : (11) bCt) := T x b - Cf - 1) x bC-f), where b denotes the OL8 estimation function based on the full sample. Now the jackknife estimation function can be defined as : (12) As the jackknife estimation function of the variance of the "pseudo-values" bCt) Tukey [13] proposed .2._ 1 ~[ l1CbJ) .- T(T _ 1) ~ bet) - b(J) ]2 _ (T - 1) ~[ -]2 T ~ bC-f) - bC-t) , (13) where bC-t) denotes the mean of the bC-f) for t = l, ... ,T. In the following we use a numerical representation of the jackknife which was given by Miiller [9]. Let tpe matrix I¥=O) denote the (T x T)-dim, identity matrix where the t-th row t = I, ... , T is identically zero. Based on the svd, the t-th pseudo value bC-f) can be represented by : (14) :. \ ,\ 513. i! that is for the jackknife estimation function defined in (12) we have analogously to the OLS repres~ntation (2) : (15) . b(J) = VE-lU~y, where UJ:= TU - (T;l) E:=l I¥=O)U[U'I¥=O)UI-l. The key idea of the bootstrap method (Efron [4]) is to generate new residual vectors byresampling the residuals see e.g Freedman [5], Bickel/Freedman [2] and Sing [11]. Assuming the model and the estimated parameters to be right, the resampling procedure generates "pseudo~data" yW for the dependent variable. Nqw the model parameters can be estimated using the "pseudo-data" where the errors are directly obtlervable. By repeating the resampling procedure m-times and estimating the model (yW, X), j = 1, ... , m with the same statistical procedure as before we get a random sample of every estimated parameter of size m. This Monte-Carlo experiinent can be utled to approximate the distribution of the real parameters. Now we define : b~):= (X'X)-lX'yW, j = 1, ... ,m (16) as the j-th OLS Bootstrap estimator for the resampled model. Based on the svd, the j-th OLS bootstrap estimation of a linear model can be represented by : (17) where R(i):= p(j)(UU' - Ir) andp(j) is defineq as an (T x T)-dim. matrix, where each row has one 1 and (T -l)zeros. The position i of the 1 in each row is determind by a resampling procedure with replacement from {1, ... , T}. In this integrated approach we must calculate tpe svd only once to reach all para.meter estimates of the virtual models by resampling the rows of the matrix R(i). Therefore the resampling methods (jackknife and bootstrap) can be characterized by an appropriate transformation of the U matrix . defined by the svd. 4 Empirical Distribution anq. Test Statistics In the following example we use different design matrices X which differ in the degree of multicollinearity. Here we use the condition number (lar~est/sma.llest singular value) of the design matrix X' X asa measure of multicollinearity. It should pe' sufficient to indicate here only the results for the design X with cond(X) = 760. The sampling experiment is based on the following linear model : y = Xf3 + .t.;\ U = = t X2f32 + xaf3a + U 1O.0Xl +6.0X2 + 8.0xa + u, . X 1f3l ..., (18) (19) where y is the (20 xl) dimensional vector of the pbservations, X the (20 x 3) dimensional design matrix where Xl == 1 for all observations (constant term), f3 = (10.0,6.0,8.0)' the coefficient vector, and u is a normal random vector with mean vector zero and variance (J"2 = 1.0. The sample problem was done on a VAX9000-410 with SAS /IML the Interactiv Matrix Language. With SAS/QC PROC CAPABILITY we describe the distribution and the statistics of the BOOTSTRAP - OLS and BOOTSTRAP-STEIN estimator. The simulation is very fast and the programming with SAS/IML is simple to learn. And so it is possible to give the sCientists a good tool to build in their own algorithm. In the back round we have the full power of all products such as statistics, graphics and programming language of BAS/BASE. With the process capability analysis we can compare the distribution of output from an in-control process . i 514 . I i i .. In most empirical studies we have the situation that we only observe one sample of the dependent variable y without knowledge of the underlying distributional process. Therefore from the 1.000 simulated vectors of the dependent variable one vector was randomly selected for further calculations. Based on the design matrix X (cond(X) = 760) and the selected vector y OLS and STEIN -estimates are calculeted. We use the bootstrap approach for calculating the standard deviation of the single components of the coefficient vector band dSR • Because there is a constant term included in the model (20) we can operate on the uncentered residuals. For practical purposes we have the following steps for calculating standard errors of the estimated parameters d; E d = (d}, ... , dK ) by bootstrapping where d denotes the OLS or Stein estimates respectively. Let FT be the empirical distribution ~f the T residuals U. Next we use a random number generatorfor the uniform distribution to draw m times T new points u~j), i = 1, ... ,T, j = 1, ... ,m, independently and with replacement from FT, So that each new point is an independent random selection of one of the T original residuals. Here we have that some of the original residual,s will have been selected zero times, some once, ~ome twice, etc. Based on the resampled residuals U~1), the known design matrix X and the estima.ted parameter vector d, we calculate new dependent variables y{i) = X d + u(i). Repeating the above steps a large number of times ( say m times) and estimating the new models with the same procedure as before, we get a sequence of bootstrap parameter vectors dU) = (d~j), ... , d%»), j = 1, ... m. The relavant statistics you can get from the output of the capability procedur(l, Statistics of the Least square estimator Variable=Bl Moments N 1000 Mean 9,6~1$09 Std Dev 0.993917 Skewness 0.02706 USS 93560.32 CV 10.33016 T:Mean=O 306.12.08 Sgn Rank 250250 Num ~= 0 1000 W:Normal 0.990035 Sum Wgts Sum Variance Kurtosis ess Std Mean Prob>ITI Prob>ISI Prob<W 1000 9621.509 0.987872 -0.06304 986.8841 0.03143 0.0000 0.0000 0.934 Variable=B3 Moments N 1000 Mean 8.535457 Std Dev 17.42538 Skewness 0.0369 USS 376194.2 ev 204.1528 T:Mean=O 15.48976 Sgn Rank 128569 Num ~= 0 1000 W:Normal 0.98762 Variable=B2 Moments N 1000 5.179082 Mean Std Dev 34.41268 Skewness -0.0391 USS 1209871 ev 664.4552 T:Mean=O 4.759204 43416 Sgn Rank Num ~= 0 1000 W:Normal 0.987566 SlUIl Wgts 1000 Sum 8535.457 Variance 303.6438 Kurtosis 0.041556 ess 303340.2 Std. Hean 0 .. 551039 Prob)ITI 0.0000 Prob>ISI 0.0000 Prob<W 51~ , 0.670 Sum Wgts 1000 5179.082 Sum Variance 1184.232 Kurtosis 0.042059 ess 1183048 Std Hean 1.088224 Prob>ITI 0.0000 0.0000 Prob>ISI Prob<W 0.661 Statistics of the Stein estimator Variable=Dl Moments N Mean Std Dey Skewness USS ev T:Mean=O Sgn Rank Num ~= 0 W:Normal 1000 9.608634 0.541281 -0.04966 92618.54 5.633274 561.357 250250 1000 0.984857 Variable=D2 Moments 1000 N 4.286774 Mean 3.281892 Std Dey Skewness -0.11411 29136.47 USS 76.55855 ev T:Mean=O 41.30535 232659 Sgn Rank 1000 Num ~=O W:Normal 0.985034 1000 Sum Wgts 9608.634 Sum Variance 0.292985 -0.1727 Kurtosis 292.6918 ess Std Mean 0.017117 0.0000 Prob>ITI 0.0000 Prob>ISI Prob<W 0.208 Variable=D3 Moments 1000 N 8.988962 Mean Std Dey 1.666105 . Skewness 0.113936 83574.57 USS 18.535 ev T:Mean=O 170.6111 250250 Sgn Rank Num ~= 0 1000 W:Normal 0.983898 1000 Sum Wgts 4286.774 Sum Variance 10.77081 Kurtosis -0.04301 10760.04 ess Std Mean 0.103783 0.0000 Prob>ITI 0.0000 Prob>ISI Prob<W 0.232 1000 Sum Wgts 8988.962 Sum Variance 2.775904 Kurtosis -0.05285 2773.128 ess Std Mean 0.052687 0.0000 Prob>ITI 0.0000 Prob>ISI Prob<W 0.105 We can assume the empirical distribution of the 1300TSTRAP - STEIN estimator is a normal destribution. In the following pictures we can see the STEIN estimator has a smaller variance as the OLS estima,tor by ill-conditoned data. 516 ..::::.;--~.\ ~ ;~;~li~tt-' ,,:-'.~_-i.~ ::,.,,:;",;_,-:, s:'-:<,~5'.~';1.~:~rr;:':'t'~5""'~>;:;C~· :~~~,:-~~:"':S'~""~::"':-.<!;n:-:.~1..~·,..n::->r~">:..~_ -:.-:~,,,-:.,"- .,.;.......r" ...,. as -Ibitm SiI-BolMap P1 P1 ,:~.=! ,, 2254 2110 ~Ir:------~-;~------ 175 175 150 C1I ...... .... C150 _C 125 0125 1) II u 100 n • t 111 t 75 50 25 01 1 j ~ , I, til, 75 50 25 r? 01 s.o I I 1;1 I I 1 1I I I 1) qI, I, I, f?,.,1 J( 7.63 8.13 8.63 9.13 9.63 10.13 10.63 U.13 6.5 7.0 7.5 8.0 8.5 9.0 9.5 10.1)10.5 11.0 11.5 12.0 12.5 110 . CIne: - Nomd{Uu=9.6215 S9na=Q.99J9) Curve: - Normol(Mu=9.6086 Sigma=O.5413) . "~':+;'-'~!;~:.~"r'I ~::;-O:-~..;..: ""').:~ ~~ ·:";":'~'i,,'l,i_-r;-;'-' ;.- '-j,:"':' .1"i1!.;':-~_H.H}:tt:~";-""'t·1:~~~·~J~~'-<':-'~:·1~'·<:<;~.'::""l-;.t~ ~~_tte~:?6",?""n- ,.::-.:~.~~.., ',":.-"-<":. ~~~ ~ ~_~,.C'j'" " ' ..' (lS~_ Sin-. -- P2 2004 . 175 ~2 , ,:Uo.:\ I I ~ 200 175 C150 o 125 u 100 n t 75 50 25 0' 150 125 (11 C Ol 0 ...... I : lIXli t 75 . 50 25 ,. 'i ;! J: i ,K; i I I I I I II I I a I I I I I I I' I '=?>r I I -6.75 -3.75 -0.75 2.25 5.25 8.25 11.25 14.25 0 -128 -98 -68 ClIve: - -38 .~ 1, 23 53 Nlmd(1F5.1791 S9na=34.41~ 83 113 Curve: - Norrnal(Uu=4.2868 Sigma=3.2819) 5 Programmig techniques libname lib '(]'; I***************************************~************************1 Titlel 'BOOTSTRAP - Technic 'j Title2 'STEIN- and OLS- estimator'j 1***************************************,************************1 1***************************************,************************1 1* MODUL RESAMPLE *1 1***************************************,************************1 proc imlj reset storage=lib.boot; 1************ Modul Simulation from the matrix start resample(mt,seed,h); p=j(20,20,0); do i=l to 20 ; j=1+int(20*ranuni(seed)); p[i,j]=lj end; r=p*mtj h=i(nrow(mt))+r; finish resample; P*****************I 1************************************************1 store module=resamplej quit; I***************************************~************************1 1* Read the Data in a SAS-DATASET *1 I***************************************~************************1 data a; infile 'x.dat'; input xl x2 x3j infile 'yl.dat'i input y i 1****************************************************************1 I* *I PROCEDURE IML 1* Computing OLS and STEIN-estimator *1 1****************************************************************1 proc imlj reset storage=lib.bootj load module=resamplei use a; * Read variables in the matrices x and Yi read all var {xl x2 x3} into Xj read all var {y} into Yi * Computing the SAS-dataset from Bootstrap - OLS and STEIN-estimatori create lib.estimate var {bl b2 b3 dl d2 d3}i 1****************************************************************1 1* Singular value decomposition *1 1****************************************************************1 call svd(u,q,v,x); 1****************************************************************1 1* Manipulation of matrices *1 519, f****************************************************************f f* Rows of matrix X *f f* Colums of matrix X *f f* identity matrix T*T *1 f* identity matrix K*K *f 1* X'*X *1 1* c= Inverse of X'*X *1 1* OLS-estimator . *1· 1* Matrix K*K: Diagonalmatrix of singularvalue*1 f* The inverse aaa,onalmatrix of singular value*1 ;f* The diagonal va~ues of Gamma are the eigen values*/ t=nrow(x); k=ncol(x); it=i(t); bi=i(k); xx=x'*x; c=inv(xx); bols=c*x' *y; qdiag=diag(q); qinv=inv(qdiag); gamma=inv(qdiag*qdiag) /* of the inverse of matrix X*X'*/ /* U*U' - identity matrix */ f***************************************************** ***********/ f* Computing of '-arianz *1 /***************************************************** ***********1 ybeta=x"'bols; resid=y-ybeta; sse=ssq(resid); dfe=t-k-i; var=sse/dfe; ut=u*u'-it; f*******************"'***********"'*****"'***~******"'*"'** ***********/ /* Computing of eta */ f******"'*********"'***************"'******************** ***********/ bbb=y'*u*inv(qdiag*qdiag)*u'*y; eta=bbb/«t-k)*var); f"''''*'''*'''*''''''*'''******''''''***************'''******,**********************1 f* Computing of h(eta) */ /******"'******"'***********************"'***~**********************/ h=(k-2)f«t-k-2)*eta); pi=bi-h*gamma; qsr=inv(qdiag*pi); dsr=v*qsr*u'*y; /*******************************"'********************* ***********f /* SVD of STEIN *1 f********************************************"'******** ***********/ d=v*qsr*u' ; f***************************************************** ***********/ f* SVD of OLS *f f***************************************************** ***********/ b=v*qinv*u' ; f****************** BOOTSTRAP ********************"'''''''**''''''**''''''*'''*/ seed=-i; do k=l to 1000; run resample(ut,seed,h); bb=b*h*y; /* BOOTSTRAP - OLS *1 bd'Fd*h*y; f* BOOTSTRAP - STEIN *1 bi=bb[i]; b2=bb[2]; b3=bb[3]; di=bd[i]; d2=bd[2]; d3=bd[3]; append var {bi b2 b3di d2 d3}; end; 520. close lib.estimate; quit; qinv=inv(qdiag); /. Matrix der Singuh,erwerte invertiert ./ / .............................••••••••••• ~ ......•................ / /. 1* Test - Statistics, Histogram, Goodness-of-fit PROC CAPABILITY ./ ./ / ..............•..............•..........•........•.•....•....... / proc capability data-lib.estimate graphics normal gout-lib. estimate; v~r bl b2 ~3dl d2 d3; luterval /method=4 alpha=O.32; HISTOGRAM bl b2 b3 dl d2 d3/ midptaxis=axisl font=swissl caxis=blue chref=red vscale=count midpercents hreflabels=( 'Mean' ) des='OLS' normal; symboll c=green; run; 6 Conclusion In this paper we use the bootstrap and jackknife approach in multiple linear models in order to attach standard errors to improved estimation functions. Bere the idea is to use the simulation techniques to simulate the empirical distribution of the Stein ~timator. For computational purposes a numerical resampling approach of the bootstrap and jackknife technique in multiple linear models is used. This approach yields a reduction of CPU-time which is remarkable. It is 'shown that the advantage of the Stein estimates becomes significant if the design matrix X is not well conditioned. In the example the condition number was 760 which yields a very large variability of the OLS estimated parameters. Further results (omitted in this paper) have shown that for well conditioned designs the OLS- and Stein-estimation functions gives approximately the same results. 7 References [1] BAUR, F. (1984). Einige lineare und nicht-lineare Alternativen zum Kleinst-Quadrate-Schatzer im verallgemeinerten !inearen Modell, Anton Bain, Konigstein/Ts. [2] BICKEL, P./FREEDMAN, D.A. (1981). Some asymptotic theory for the bootstrap, Annals of Statistics, 9, 1196 - 1217. [3] EFRON, B. (1977). Bootstrap methods: another look at the jackknife, Annals of Statistics, 7, 1 - 26. [4] EFRON, B. (1979). Computers and the theory of statistics: Thinking the unthinkable~ SIAM Review, 21/4,460 - 480. 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