Special Topic: Matrix Algebra and the ANOVA • Matrix properties • Types of matrices • Matrix operations • Matrix algebra in Excel • Regression using matrices • ANOVA in matrix notation Definition of a matrix a matrix is a rectangular array of elements a11 a12 A a 21 a 22 a13 a 23 Matrix order (dimensions or size) – m=#rows, n=#columns m x n 2 5 6 A 1 2 3 matrix element a13 = 6 order is 2 x 3 Matrix Algebra and the ANOVA a single value is called a ‘scalar’ B=6 a single row is called a ‘row vector’ B 25 31 18 7 a single column is called a ‘column vector’ 25 31 B 25, 31, 18, 7 18 7 Types of Matrices A square matrix has equal numbers of rows and columns In a symmetric matrix, aij = aji a31 = a13 = 4 2 0 A 4 11 0 6 0 5 4 0 3 8 11 5 8 1 In a diagonal matrix, all off-diagonal elements = 0 An identity matrix is a diagonal matrix with diagonals = 1 1 0 I = 0 0 0 1 0 0 0 0 1 0 0 0 0 1 Common Variance, Independence eij are independent, with common variance 1 0 2 I = 0 0 0 1 0 0 0 0 1 0 0 2 0 2 0 0 0 1 0 0 2 0 0 0 0 2 0 0 0 0 2 Off-diagonal elements are zero, showing that there is no covariance (there is independence) Trace The trace of a matrix is the sum of the elements on the main diagonal (aii) 2 0 A4 0 11 0 6 0 0 0 4 0 3 8 9 0 11 0 0 8 9 1 8 0 8 tr(A) = 2 + 6 + 3 + 1 + 8 = 20 Matrix Addition and Subtraction Add or subtract corresponding elements of each matrix The order (dimensions) of the matrices must be the same 4 6 2 9 2 5 13 8 8 3 0 4 7 1 12 10 7 1 4 6 2 9 2 5 5 4 3 8 3 0 4 7 1 4 4 1 Matrix Multiplication Take the sum of crossproducts of rows from the first matrix with columns from the second matrix The number of columns in the first matrix must be the same as the number of rows in the second matrix A rxn B nxc 4 2 5 1 8 3 6 9 4 x 1 9 7 3 3 5 5 M rxc 1 62 6 119 2 83 0 34 57 31 m11 = 2*4 + 5*1 + 1*9 + 8*5 = 62 Transpose of a Matrix To transpose a matrix, exchange rows and columns 2 1 A 5 2 6 3 a21 a12 = 5 2 5 6 A 1 2 3 A prime () or a (T) is used to denote a transpose Note that AA gives the uncorrected sum of squares and crossproducts for the columns of A 65 30 AA 30 14 Sum of crossproducts Sum of squares on the diagonal Inverse of a Matrix Taking the inverse of a matrix is analagous to division in math It’s easy for diagonal matrices 1 6 0 0 6 0 0 1 1 A 0 3 0 A 0 3 0 1 0 0 9 0 0 9 Use (-1) as an exponent to denote an inverse Inverting a 2x2 Matrix Inverting a 2 x 2 matrix is not too hard Find the determinant (D), often written as |M| a b M c d D = ad - bc M c D 1 d D a D b D 2 5 M 3 9 D = 2*9 – 5*3 = 3 M 3 3 1 9 3 For larger matrices, use a computer! 2 3 5 3 Linear Dependence a b M c d D = ad - bc 2 6 M 3 9 D = 2*9 – 6*3 = 0 The matrix is singular because one column can be obtained by multiplying another by a constant (3 in this case) |M| = 0 The rank of a matrix = the number of linearly independent columns (1 in this case) A nonsingular matrix is full rank – the rank equals the total number of columns Properties of Full Rank Matrices A square, nonsingular matrix has a unique inverse 2 1 3 0.25926 0.407407 0.33333 A 7 8 6 A 1 0.2037 0.03704 0.166667 4 9 5 0.574074 0.25926 0.166667 Using Excel: MDETERM(G3:I5) = 54 The determinant ≠ 0, so there is a unique inverse For a full rank matrix A-1A = AA-1 = I If A-1 exists, then (A-1)-1 = A 1 0 0 A 1A I 0 1 0 0 0 1 If A-1 exists, and B-1 exists then (AB)-1 = B-1A-1 Idempotent Matrices A matrix is idempotent if it can be multiplied by itself and the result is the original matrix AA = A 2 2 4 A 1 3 4 1 2 3 2 2 4 AA 1 3 4 1 2 3 Idempotent matrices must be square The trace of an idempotent matrix is equal to its rank Generalized Inverse A generalized inverse (M–) can be obtained for any matrix, but the solution is not unique MM–M = M Matrix Algebra in Excel A little cumbersome, but may be handy for a limited number of calculations Addition and subtraction are the same as always – Use the usual shortcuts: fill down, fill right, copy, paste To transpose a matrix, there are two options: 1. Copy the original matrix, select a single destination cell, use “paste special” and select the option “Transpose” 2. Use the matrix function TRANSPOSE Matrix Functions in Excel Examples: MMULT, TRANSPOSE, MINVERSE Steps for Matrix operations (on a PC) – Select destination cells (must be the right dimensions) – Enter the matrix formula – Press F2 – Press Ctrl-Shift-Enter Regression in Matrix Notation Y = X + ε Linear model Parameter estimates b = (X X)-1XY Correction for mean Y CF i n Source df SS MS Regression (uncorrected) p bXY MSR Residual N-p YY – bXY MSE Total (uncorrected) N YY p = number of parameters estimated in the model N = total number of observations 2 nY 2 Regression example Fit a quadratic curve Yi = b0 + b1Xi + b2Xi2 Linear model in matrix notation 6 13 17 16 1 1 1 1 2 4 6 8 Solution: b = (XX)-1XY Using Excel, SAS or R X 2 4 6 8 Y 6 13 17 16 Y = X + ε 4 e1 b0 16 e 2 b1 36 e3 b2 64 e 4 Yi = -5.5 + 6.7Xi -0.5Xi2 ANOVA example CRD with 3 treatment levels, 2 reps Linear model 1 2 3 1 1 1 X 1 1 1 1 1 0 0 0 0 0 0 1 1 0 0 Y = X + ε 0* 1* *2 0 1 0 1 0 1 0 1 1 1 1 1 1 1 0 0 0 0 0 0 1 1 0 0 TRT 1 1 2 2 3 3 Y 3 4 1 4 8 6 Reparameterize to make a nonsingular matrix (rank = 3) Let 3 = 0 3 * 0 1* 1 3 2 3 * 2 ANOVA example using PROC IML proc iml; X={1 1 0, 1 1 0, 1 0 1, 1 0 1, 1 0 0, 1 0 0} ; Y={3, 4, 1, 4, 8, 6}; CF=sum(Y)*sum(Y)/countn(Y); XPX=X`*X; XPXinv=inv(XPX); XPY=X`*Y; B=XPXinv*XPY; SSTotal=(Y`*Y)-CF; SSTrt=B`*XPY-CF; SSE=SSTotal-SSTrt; YHAT=X*B; Resid=Y-YHAT; print SSTotal SSTrt SSE B YHAT Resid; QUIT; Recalculating the parameters of interest proc glm; class trt; model Y=trt/solution; SAS uses a generalized inverse. The result is the same as setting 3=0 0* 1* 2* Y (30* 1* *2 ) / 3 (3 33 1 3 2 3 ) / 3 (3 1 2 3 ) / 3 (3 * 7 3.5 4.5) / 3 4.3333 Y1 0* 1* 3 1 3 1 Y2 0* *2 3 2 3 2 Y3 0* 3