function [alpha, c, wresid, wresid_norm, y_est, Regression] = ... varpro(y, w, alpha, n, ada, lb, ub, options) %VARPRO Solve a separable nonlinear least squares problem. % [alpha, c, wresid, wresid_norm, y_est, Regression] = % VARPRO(y, w, alpha, n, ada, lb, ub, options) % % Given a set of m observations y(1),...,y(m) % this program computes a weighted least squares fit using the model % % eta(alpha,c,t) = % c_1 * phi_1 (alpha,t) + ... + c_n * phi_n (alpha,t) % (possibly with an extra term + phi_{n+1} (alpha,t) ). % % This program determines optimal values of the q nonlinear parameters % alpha and the n linear parameters c, given observations y at m % different values of the "time" t and given evaluation of phi and % (optionally) derivatives of phi. % % On Input: % % y m x 1 vector containing the m observations. % w m x 1 vector of weights used in the least squares % fit. We minimize the norm of the weighted residual % vector r, where, for i=1:m, % % r(i) = w(i) * (y(i) - eta(alpha, c, t(i,:))). % % Therefore, w(i) should be set to 1 divided by % the standard deviation in the measurement y(i). % If this number is unknown, set w(i) = 1. % alpha q x 1 initial estimates of the parameters alpha. % If alpha = [], Varpro assumes that the problem % is linear and returns estimates of the c parameters. % n number of linear parameters c % ada a function handle, described below. % lb q x 1 lower bounds on the parameters alpha. % (Optional) (Omit this argument or use [] if there are % no lower bounds.) % ub q x 1 upper bounds on the parameters alpha. % (Optional) (Omit this argument or use [] if there are % no upper bounds.) % options The Matlab optimization parameter structure, % (Optional) set by "optimset", to control convergence % tolerances, maximum number of function evaluations, % information displayed in the command window, etc. % To use default options, omit this parameter. % To determine the default options, type % options = optimset('lsqnonlin') % After doing this, the defaults can be modified; % to modify the display option, for example, type % options = optimset('lsqnonlin'); % optimset(options,'Display','iter'); % % On Output: % % alpha q x 1 estimates of the nonlinear parameters. % c n x 1 estimates of the linear parameters. % wresid m x 1 weighted residual vector, with i-th component % w(i) * (y(i) - eta(alpha, c, t(i,:))). % wresid_norm norm of wresid. % y_est m x 1 the model estimates = eta(alpha, c, t(i,:))) % Regression a structure containing diagnostics about the model fit. % ************************************************** % * C a u t i o n: * % * The theory that makes statistical * % * diagnostics useful is derived for * % * linear regression, with no upper- or * % * lower-bounds on variables. * % * The relevance of these quantities to our * % * nonlinear model is determined by how well * % * the linearized model (Taylor series model) * % * eta(alpha_true, c_true) * % * + Phi * (c - c_true) * % * + dPhi * (alpha - alpha_true) * % * fits the data in the neighborhood of the * % * true values for alpha and c, where Phi * % * and dPhi contain the partial derivatives * % * of the model with respect to the c and * % * alpha parameters, respectively, and are * % * defined in ada. * % ************************************************** % Regression.report: % This structure includes information on the solution % process, including the number of iterations, % termination criterion, and exitflag from lsqnonlin. % (Type 'help lsqnonlin' to see the exit conditions.) % Regression.report.rank is the computed rank of the % matrix for the linear subproblem. If this equals % n, then the linear coefficients are well-determined. % If it is less than n, then although the model might % fit the data well, other linear coefficients might % give just as good a fit. % Regression.sigma: % The estimate of the standard deviation is the % weighted residual norm divided by the square root % of the number of degrees of freedom. % This is also called the "regression standard error" % or the square-root of the weighted SSR (sum squared % residual) divided by the square root of the % number of degrees of freedom. % Regression.RMS: % The "residual mean square" is equal to sigma^2: % RMS = wresid_norm^2 / (m-n+q) % Regression.coef_determ: % The "coefficient of determination" for the fit, % also called the square of the multiple correlation % coefficient, is sometimes called R^2. % It is computed as 1 - wresid_norm^2/CTSS, % where the "corrected total sum of squares" % CTSS is the norm-squared of W*(y-y_bar), % and the entries of y_bar are all equal to % (the sum of W_i^2 y_i) divided by (the sum of W_i^2). % A value of .95, for example, indicates that 95 per % cent of the CTTS is accounted for by the fit. % % Regression.CovMx: (n+q) x (n+q) % This is the estimated variance/covariance matrix for % the parameters. The linear parameters c are ordered % first, followed by the nonlinear parameters alpha. % This is empty if dPhi is not computed by ada. % Regression.CorMx: (n+q) x (n+q) % This is the estimated correlation matrix for the % parameters. The linear parameters c are ordered % first, followed by the nonlinear parameters alpha. % This is empty if dPhi is not computed by ada. % Regression.std_param: (n+q) x 1 % This vector contains the estimate of the standard % deviation for each parameter. % The k-th element is the square root of the k-th main % diagonal element of Regression.CovMx % This is empty if dPhi is not computed by ada. % Regression.t_ratio: (n+q) x 1 % The t-ratio for each parameter is equal to the % parameter estimate divided by its standard deviation. % (linear parameters c first, followed by alpha) % This is empty if dPhi is not computed by ada. % Regression.standardized_wresid: % The k-th component of the "standardized weighted % residual" is the k-th component of the weighted % residual divided by its standard deviation. % This is empty if dPhi is not computed by ada. % %--------------------------------------------------------------- % Specification of the function ada, which computes information % related to Phi: % % function [Phi,dPhi,Ind] = ada(alpha) % % This function computes Phi and, if possible, dPhi. % % On Input: % % alpha q x 1 contains the current value of the alpha parameters. % % Note: If more input arguments are needed, use the standard % Matlab syntax to accomplish this. For example, if % the input arguments to ada are t, z, and alpha, then % before calling varpro, initialize t and z, and in calling % varpro, replace "@ada" by "@(alpha)ada(t,z,alpha)". % % On Output: % % Phi m x n1 where Phi(i,j) = phi_j(alpha,t_i). % (n1 = n if there is no extra term; % n1 = n+1 if an extra term is used) % dPhi m x p where the columns contain partial derivative % information for Phi and p is the number of % columns in Ind % (or dPhi = [] if derivatives are not available). % Ind 2 x p Column k of dPhi contains the partial % derivative of Phi_j with respect to alpha_i, % evaluated at the current value of alpha, % where j = Ind(1,k) and i = Ind(2,k). % Columns of dPhi that are always zero, independent % of alpha, need not be stored. % Example: if phi_1 is a function of alpha_2 and alpha_3, % and phi_2 is a function of alpha_1 and alpha_2, then % we can set % Ind = [ 1 1 2 2 % 2 3 1 2 ] % In this case, the p=4 columns of dPhi contain % d phi_1 / d alpha_2, % d phi_1 / d alpha_3, % d phi_2 / d alpha_1, % d phi_2 / d alpha_2, % evaluated at each t_i. % There are no restrictions on how the columns of % dPhi are ordered, as long as Ind correctly specifies % the ordering. % % If derivatives dPhi are not available, then set dPhi = Ind = []. % %--------------------------------------------------------------- % % Varpro calls lsqnonlin, which solves a constrained least squares % problem with upper and lower bounds on the constraints. What % distinguishes varpro from lsqnonlin is that, for efficiency and % reliability, varpro causes lsqnonlin to only iterate on the % nonlinear parameters. Given the information in Phi and dPhi, this % requires an intricate but inexpensive computation of partial % derivatives, and this is handled by the varpro function formJacobian. % % lsqnonlin is in Matlab's Optimization Toolbox. Another solver % can be substituted if the toolbox is not available. % % Any parameters that require upper or lower bounds should be put in % alpha, not c, even if they appear linearly in the model. % % The original Fortran implementation of the variable projection % algorithm (ref. 2) was modified in 1977 by John Bolstad % Computer Science Department, Serra House, Stanford University, % using ideas of Linda Kaufman (ref. 5) to speed up the % computation of derivatives. He also allowed weights on % the observations, and computed the covariance matrix. % Our Matlab version takes advantage of 30 years of improvements % in programming languages and minimization algorithms. % In this version, we also allow upper and lower bounds on the % nonlinear parameters. % % It is hoped that this implementation will be of use to Matlab % users, but also that its simplicity will make it easier for the % algorithm to be implemented in other languages. % % This program is documented in % Dianne P. O'Leary and Bert W. Rust, % Variable Projection for Nonlinear Least Squares Problems, % US National Inst. of Standards and Technology, 2010. % % Main reference: % % 0. Gene H. Golub and V. Pereyra, 'Separable nonlinear least % squares: the variable projection method and its applications,' % Inverse Problems 19, R1-R26 (2003). % % See also these papers, cited in John Bolstad's Fortran code: % % 1. Gene H. Golub and V. Pereyra, 'The differentiation of % pseudo-inverses and nonlinear least squares problems whose % variables separate,' SIAM J. Numer. Anal. 10, 413-432 % (1973). % 2. ------, same title, Stanford C.S. Report 72-261, Feb. 1972. % 3. Michael R. Osborne, 'Some aspects of non-linear least % squares calculations,' in Lootsma, Ed., 'Numerical Methods % for Non-Linear Optimization,' Academic Press, London, 1972. % 4. Fred Krogh, 'Efficient implementation of a variable projection % algorithm for nonlinear least squares problems,' % Comm. ACM 17:3, 167-169 (March, 1974). % 5. Linda Kaufman, 'A variable projection method for solving % separable nonlinear least squares problems', B.I.T. 15, % 49-57 (1975). % 6. C. Lawson and R. Hanson, Solving Least Squares Problems, % Prentice-Hall, Englewood Cliffs, N. J., 1974. % % These books discuss the statistical background: % % 7. David A. Belsley, Edwin Kuh, and Roy E. Welsch, Regression % Diagnostics, John Wiley & Sons, New York, 1980, Chap. 2. % 8. G.A.F. Seber and C.J. Wild, Nonlinear Regression, % John Wiley & Sons, New York, 1989, Sec. 2.1, 5.1, and 5.2. % % Dianne P. O'Leary, NIST and University of Maryland, February 2011. % Bert W. Rust, NIST February 2011. % Comments updated 07-2011. % %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% global mydebug myneglect % test neglect of extra term in Jacobian %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % % Initialization: Check input, set default parameters and options. % %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % special case for octave is_octave = exist('OCTAVE_VERSION', 'builtin') > 0; if (is_octave) pkg load optim; end [m,ell] = size(y); % m = number of observations [m1,ell1] = size(w); if (m1 ~= m) | (ell > 1) | (ell1 > 1) error('y and w must be column vectors of the same length') end [q,ell] = size(alpha); % q = number of nonlinear parameters if (ell > 1) error('alpha must be a column vector containing initial guesses for nonlinear parameters') end if (nargin < 6) lb = []; else [q1,ell] = size(lb); if (q1 > 0) & (ell > 0) if (q1 ~= q) | (ell > 1) error('lb must be empty or a column vector of the same length as alpha') end end end if (nargin < 7) ub = []; else [q1,ell] = size(ub); if (q1 > 0) & (ell > 0) if (q1 ~= q) | (ell > 1) error('ub must be empty or a column vector of the same length as alpha') end end end if (nargin < 8) options = optimset('lsqnonlin'); end if (~strcmp(options.Display,'off')) disp(sprintf('\n-------------------')) disp(sprintf('VARPRO is beginning.')) end W = spdiags(w,0,m,m); % Create an m x m diagonal matrix from the vector w %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % % Make the first call to ada and do some error checking. % %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% [Phi, dPhi, Ind] = feval(ada, alpha); [m1,n1] = size(Phi); % n1 = number of basis functions Phi. [m2,n2] = size(dPhi); [ell,n3] = size(Ind); if (m1 ~= m2) & (m2 > 0) error('In user function ada: Phi and dPhi must have the same number of rows.') end if (n1 < n) | (n1 > n+1) error('In user function ada: The number of columns in Phi must be n or n+1.') end if (n2 > 0) & (ell ~= 2) error('In user function ada: Ind must have two rows.') end if (n2 > 0) & (n2 ~= n3) error('In user function ada: dPhi and Ind must have the same number of columns.') end %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % % Solve the least squares problem using lsqnonlin or, if there % are no nonlinear parameters, using the SVD procedure in formJacobian. % %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% if (q > 0) % The problem is nonlinear. if ~isempty(dPhi) options = optimset(options,'Jacobian','on'); end [alpha, wresid_norm2, wresid, exitflag,output] = ... lsqnonlin(@f_lsq, alpha, lb, ub, options); [r, Jacobian, Phi, dPhi, y_est, rank] = f_lsq(alpha); wresid_norm = sqrt(wresid_norm2); Regression.report = output; Regression.report.rank = rank; Regression.report.exitflag = exitflag; else % The problem is linear. if (~strcmp(options.Display,'off')) disp(sprintf('VARPRO problem is linear, since length(alpha)=0.')) end [Jacobian, c, wresid, y_est, Regression.report.rank] = ... formJacobian(alpha, Phi, dPhi); wresid_norm = norm(wresid); wresid_norm2 = wresid_norm * wresid_norm; end % if q > 0 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % % Compute some statistical diagnostics for the solution. % %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % Calculate sample variance, the norm-squared of the residual % divided by the number of degrees of freedom. sigma2 = wresid_norm2 / (m-n-q); % Compute Regression.sigma: % square-root of weighted residual norm squared divided % by number of degrees of freedom. Regression.sigma = sqrt(sigma2); % Compute Regression.coef_determ: % The coeficient of determination for the fit, % also called the square of the multiple correlation % coefficient, or R^2. % It is computed as 1 - wresid_norm^2/CTSS, % where the "corrected total sum of squares" % CTSS is the norm-squared of W*(y-y_bar), % and the entries of y_bar are all equal to % (the sum of W_i y_i) divided by (the sum of W_i). y_bar = sum(w.*y) / sum(w); CTTS = norm(W * (y - y_bar)) ^2; Regression.coef_determ = 1 - wresid_norm^2 / CTTS; % Compute Regression.RMS = sigma^2: % the weighted residual norm divided by the number of % degrees of freedom. % RMS = wresid_norm / sqrt(m-n+q) Regression.RMS = sigma2; %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % % Compute some additional statistical diagnostics for the % solution, if the user requested it. % %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% if (nargout==6) if (isempty(dPhi)) Regression.CovMx = []; Regression.CorMx = []; Regression.std_param = []; Regression.t_ratio = []; Regression.standardized_wresid = []; else % Calculate the covariance matrix CovMx, which is sigma^2 times the % inverse of H'*H, where % H = W*[Phi,J] % contains the partial derivatives of wresid with % respect to the parameters in alpha and c. [xx,pp] = size(dPhi); J = zeros(m,q); for kk = 1:pp, j = Ind(1,kk); i = Ind(2,kk); if (j > n) J(:,i) = J(:,i) + dPhi(:,kk); else J(:,i) = J(:,i) + c(j) * dPhi(:,kk); end end [Qj,Rj,Pj] = qr(W*[Phi(:,1:n),J], 0); % Uses compact pivoted QR. T2 = Rj \ (eye(size(Rj,1))); CovMx = sigma2 * T2 * T2'; Regression.CovMx(Pj,Pj) = CovMx; % Undo the pivoting permutation. % Compute Regression.CorMx: % estimated correlation matrix (n+q) x (n+q) for the % parameters. The linear parameters are ordered % first, followed by the nonlinear parameters. d = 1 ./ sqrt(diag(Regression.CovMx)); D = spdiags(d,0,n+q,n+q); Regression.CorMx = D * Regression.CovMx * D; % Compute Regression.std_param: % The k-th element is the square root of the k-th main % diagonal element of CovMx. Regression.std_param = sqrt(diag(Regression.CovMx)); % Compute Regression.t_ratio: % parameter estimates divided by their standard deviations. alpha = reshape(alpha, q, 1); Regression.t_ratio = [c; alpha] .* d; % Compute Regression.standardized_wresid: % The k-th component is the k-th component of the % weighted residual, divided by its standard deviation. % Let X = W*[Phi,J], % h(k) = k-th main diagonal element of covariance % matrix for wresid % = k-th main diagonal element of X*inv(X'*X)*X' % = k-th main diagonal element of Qj*Qj'. % Then the standard deviation is estimated by % sigma*sqrt(1-h(k)). for k=1:m temp(k,1) = Qj(k,:) * Qj(k,:)'; end Regression.standardized_wresid = wresid ./(Regression.sigma*sqrt(1-temp)); end end %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % % End of statistical diagnostics computations. % Print some final information if desired. % %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% if (~strcmp(options.Display,'off')) disp(sprintf(' ')) disp(sprintf('VARPRO Results:')) disp(sprintf(' Linear Parameters:')) disp(sprintf(' %15.7e ',c)) disp(sprintf(' Nonlinear Parameters:')) disp(sprintf(' %15.7e ',alpha)) disp(sprintf(' ')) disp(sprintf(' Norm-squared of weighted residual = %15.7e',wresid_norm2)) disp(sprintf(' Norm-squared of data vector = %15.7e',norm(w.*y)^2)) disp(sprintf(' Norm of weighted residual = %15.7e',wresid_norm)) disp(sprintf(' Norm of data vector = %15.7e',norm(w.*y))) disp(sprintf(' Expected error of observations = %15.7e',Regression.sigma)) disp(sprintf(' Coefficient of determination = %15.7e',Regression.coef_determ)) disp(sprintf('VARPRO is finished.')) disp(sprintf('-------------------\n')) end %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % % The computation is now completed. % % varpro uses the following two functions, f_lsq and formJacobian. % %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %--------------------------- Beginning of f_lsq -------------------------- function [wr_trial, Jacobian, Phi_trial, dPhi_trial, y_est,myrank] = ... f_lsq(alpha_trial) % function [wr_trial,Jacobian,Phi_trial,dPhi_trial,y_est,myrank] = ... % f_lsq(alpha_trial) % % This function is used by lsqnonlin to compute % wr_trial the current weighted residual % Jacobian the Jacobian matrix for the nonlinear parameters % It also computes % Phi_trial the current Phi matrix % dPhi_trial the partial derivatives of Phi_trial (if available). % y_est the model estimates of y % myrank the rank of the matrix W*Phi in the linear problem. % % It uses the user-supplied function ada and the Varpro function formJacobian. [Phi_trial, dPhi_trial, Ind] = feval(ada, alpha_trial); [Jacobian, c, wr_trial, y_est,myrank] = ... formJacobian(alpha_trial, Phi_trial, dPhi_trial); end %--------------------------- End of f_lsq --------------------------- %----------------------- Beginning of formJacobian ---------------------- function [Jacobian, c, wresid, y_est,myrank] = formJacobian(alpha, Phi, dPhi) % function [Jacobian, c, wresid, y_est,myrank] = formJacobian(alpha, Phi, dPhi) % % This function computes the Jacobian, the linear parameters c, % and the residual for the model with nonlinear parameters alpha. % It is used by the functions Varpro and f_lsq. % % Notation: there are m data observations % n1 basis functions (columns of Phi) % n linear parameters c % (n = n1, or n = n1 - 1) % q nonlinear parameters alpha % p nonzero columns of partial derivatives of Phi % % Input: % % alpha q x 1 the nonlinear parameters, % Phi m x n1 the basis functions Phi(alpha), % dPhi m x p the partial derivatives of Phi % % The variables W, y, q, m, n1, and n are also used. % % Output: % % Jacobian m x p the Jacobian matrix, with J(i,k) = partial % derivative of W resid(i) with respect to alpha(k). % c n x 1 the optimal linear parameters for this choice of alpha. % wresid m x 1 the weighted residual = W(y - Phi * c) % y_est m x 1 the model estimates = Phi * c) % myrank 1 x 1 the rank of the matrix W*Phi. % First we determine the optimal linear parameters c for % the given values of alpha, and the resulting residual. % % We use the singular value decomposition to solve the linear least % squares problem % % min_{c} || W resid ||. % resid = y - Phi * c. % % If W*Phi has any singular value less than m * its largest singular value, % these singular values are set to zero. [U,S,V] = svd(W*Phi(:,1:n)); % Three cases: Usually n > 1, but n = 1 and n = 0 require % special handling (one or no linear parameters). if (n > 1) s = diag(S); elseif (n==1) s = S; else % n = 0 if isempty(Ind) Jacobian = []; else Jacobian = zeros(length(y),length(alpha)); Jacobian(:,Ind(2,:)) = -W*dPhi; end c = []; y_est = Phi; wresid = W * (y - y_est); myrank = 1; return end tol = m * eps; myrank = sum(s > tol*s(1) ); % number of singular values > tol*norm(W*Phi) s = s(1:myrank); if (myrank < n) & (~strcmp(options.Display,'off')) disp(sprintf('Warning from VARPRO:')) disp(sprintf(' The linear parameters are currently not well-determined.')) disp(sprintf(' The rank of the matrix in the subproblem is %d',myrank)) disp(sprintf(' which is less than the n=%d linear parameters.',n)) end yuse = y; if (n < n1) yuse = y - Phi(:,n1); % extra function Phi(:,n+1) end temp = U(:,1:myrank)' * (W*yuse); c = V(:,1:myrank) * (temp./s); y_est = Phi(:,1:n) * c; wresid = W * (yuse - y_est); if (n < n1) y_est = y_est + Phi(:,n1); end if (q == 0) | (isempty(dPhi)) Jacobian = []; return end % Second, we compute the Jacobian. % There are two pieces, which we call Jac1 and Jac2, % with Jacobian = - (Jac1 + Jac2). % % The formula for Jac1 is (P D(W*Phi) pinv(W*Phi) y, % and Jac2 is ((W*Phi)^+})^T (P D(W*Phi))^T y. % where P is the projection onto the orthogonal complement % of the range of W*Phi, % D(W*Phi) is the m x n x q tensor of derivatives of W*Phi, % pinv(W*Phi) is the pseudo-inverse of W*Phi. % (See Golub&Pereyra (1973) equation (5.4). We use their notational % conventions for multiplications by tensors.) % % Golub&Pereyra (2003), p. R5 break these formulas down by columns: % The j-th column of Jac1 is P D_j pinv(W*Phi) y % = P D_j c % and the j-th column of Jac2 is (P D_j pinv(W*Phi))^T y, % = (pinv(W*Phi))^T D_j^T P^T y % = (pinv(W*Phi))^T D_j^T wresid. % where D_j is the m x n matrix of partial derivatives of W*Phi % with respect to alpha(j). % We begin the computation by precomputing % WdPhi, which contains the derivatives of W*Phi, and % WdPhi_r, which contains WdPhi' * wresid. WdPhi = W * dPhi; WdPhi_r = WdPhi' * wresid; T2 = zeros(n1, q); ctemp = c; if (n1 > n) ctemp = [ctemp; 1]; end % Now we work column-by-column, for j=1:q. % % We form Jac1 = D(W*Phi) ctemp. % After the loop, this matrix is multiplied by % P = U(:,myrank+1:m)*(U(:,myrank+1:m)' % to complete the computation. % % We also form T2 = (D_j(W*Phi))^T wresid by unpacking % the information in WdPhi_r, using Ind. % After the loop, T2 is multiplied by the pseudoinverse % (pinv(W*Phi))^T = U(:,1:myrank) * diag(1./s) * (V(:,1:myrank)' % to complete the computation of Jac2. % Note: if n1 > n, last row of T2 is not needed. for j=1:q, % for each nonlinear parameter alpha(j) range = find(Ind(2,:)==j); % columns of WdPhi relevant to alpha(j) indrows = Ind(1,range); % relevant rows of ctemp Jac1(:,j) = WdPhi(:,range) * ctemp(indrows); T2(indrows,j) = WdPhi_r(range); end Jac1 = U(:,myrank+1:m) * (U(:,myrank+1:m)' * Jac1); T2 = diag(1 ./ s(1:myrank)) * (V(:,1:myrank)' * T2(1:n,:)); Jac2 = U(:,1:myrank) * T2; Jacobian = -(Jac1 + Jac2); if (mydebug) disp(sprintf('VARPRO norm(neglected Jacobian)/norm(Jacobian) = %e',... norm(Jac2,'fro')/norm(Jacobian,'fro') )) if (myneglect) disp('neglecting') Jacobian = -Jac1; end end end %-------------------------- End of formJacobian ---------------------- end %------------------------------ End of varpro ------------------------