TCAD.optim = {}; // convergence Rough 1e-8 // convergence Fine 1e-10 TCAD.math.solve_BFGS = function(subsys, convergence, smallF) { var xsize = subsys.params.length; if (xsize == 0) { return "Success"; } var xdir; //Vector var B = new TCAD.math.Matrix(xsize, xsize); B.identity(); var x = new TCAD.math.Vector(xsize); var grad = new TCAD.math.Vector(xsize); var h = new TCAD.math.Vector(xsize); var y = new TCAD.math.Vector(xsize); // Initial unknowns vector and initial gradient vector TCAD.math.fillParams(subsys, x.data); subsys.calcGrad(grad.data); // Initial search direction oposed to gradient (steepest-descent) xdir = grad.scalarMultiply(-1); TCAD.math.lineSearch(subsys, xdir); var err = subsys.errorSquare(); h = x.copy(); TCAD.math.fillParams(subsys, x.data); h = x.subtract(h); // = x - xold var maxIterNumber = 100 * xsize; var divergingLim = 1e6*err + 1e12; for (var iter=1; iter < maxIterNumber; iter++) { if (h.norm() <= convergence || err <= smallF) break; if (err > divergingLim || err != err) // check for diverging and NaN break; y = grad.copy(); subsys.calcGrad(grad.data); y = grad.subtract(y); // = grad - gradold //Now calculate the BFGS update on B // TCAD.math.bfgsUpdate(B, h, y); TCAD.math.bfgsUpdateInverse(B, y, h); xdir = B.multiply(grad).scalarMultiply(-1); // xdir = grad.scalarMultiply(-1); TCAD.math.lineSearch(subsys, xdir); err = subsys.errorSquare(); h = x.copy(); TCAD.math.fillParams(subsys, x.data); h = x.subtract(h); // = x - xold } if (err <= smallF) return "Success"; if (h.norm() <= convergence) return "Converged"; return "Failed"; }; TCAD.math.fillParams = function(sys, out) { for (var p = 0; p < sys.params.length; p++) { out[p][0] = sys.params[p].get(); } }; TCAD.math.setParams2 = function(sys, point) { for (var p = 0; p < sys.params.length; p++) { sys.params[p].set(point[p][0]); } }; TCAD.math.bfgsUpdateInverse = function(H, y, s) { // 18.16 var I = new TCAD.math.Matrix(s.rSize, s.rSize); I.identity(); var yT = y.transpose(); var sT = s.transpose(); var yT_x_s = y.dot(s); if (yT_x_s == 0) yT_x_h = .0000000001; var p = 1 / yT_x_s; var A = I.subtract( s.multiply(yT).scalarMultiply(p) ) var B = I.subtract( y.multiply(sT).scalarMultiply(p) ) var C = s.multiply(sT).scalarMultiply(p) return A.multiply(H).multiply(C).add(C); }; TCAD.math.bfgsUpdate = function(B, y, h) { var B_x_h = B.multiply(h); var hT_x_B = h.transpose().multiply(B); var yT = y.transpose(); var y_x_yT = y.multiply(yT); var yT_x_h = y.dot(h); var hT_x_B_x_h = h.dot(B_x_h) if (yT_x_h == 0) yT_x_h = .0000000001; if (hT_x_B_x_h == 0) hT_x_B_x_h = .0000000001; B = B.add( y_x_yT.scalarMultiply( 1 / yT_x_h ) ); B = B.subtract( ( B_x_h.multiply(hT_x_B) ).scalarMultiply( 1./hT_x_B_x_h ) ); }; TCAD.math.solve_SD = function(subsys) { var i = 0; var grad = new TCAD.math.Vector(subsys.params.length); while (subsys.errorSquare() > 0.1 ) { subsys.calcGrad(grad.data); var xdir = grad.scalarMultiply(-1); TCAD.math.lineSearch(subsys, xdir); if (i ++ > 100) { return; } } console.log(subsys.errorSquare()); }; TCAD.math.lineSearch = function(subsys, xdir) { var f1,f2,f3,alpha1,alpha2,alpha3,alphaStar; var alphaMax = 1e28; //maxStep(xdir); var x; var x0 = new TCAD.math.Vector(subsys.params.length); //Save initial values TCAD.math.fillParams(subsys, x0.data); //Start at the initial position alpha1 = 0 alpha1 = 0.; f1 = subsys.errorSquare(); //Take a step of alpha2 = 1 alpha2 = 1.; x = x0.add(xdir.scalarMultiply(alpha2)); TCAD.math.setParams2(subsys, x.data); f2 = subsys.errorSquare(); //Take a step of alpha3 = 2*alpha2 alpha3 = alpha2*2; x = x0.add(xdir.scalarMultiply(alpha3)); TCAD.math.setParams2(subsys, x.data); f3 = subsys.errorSquare(); //Now reduce or lengthen alpha2 and alpha3 until the minimum is //Bracketed by the triplet f1>f2 f1 || f2 > f3) { if (f2 > f1) { //If f2 is greater than f1 then we shorten alpha2 and alpha3 closer to f1 //Effectively both are shortened by a factor of two. alpha3 = alpha2; f3 = f2; alpha2 = alpha2 / 2; x = x0.add( xdir.scalarMultiply(alpha2 )); TCAD.math.setParams2(subsys, x.data); f2 = subsys.errorSquare(); } else if (f2 > f3) { if (alpha3 >= alphaMax) break; //If f2 is greater than f3 then we increase alpha2 and alpha3 away from f1 //Effectively both are lengthened by a factor of two. alpha2 = alpha3; f2 = f3; alpha3 = alpha3 * 2; x = x0.add( xdir.scalarMultiply(alpha3)); TCAD.math.setParams2(subsys, x.data); f3 = subsys.errorSquare(); } } //Get the alpha for the minimum f of the quadratic approximation alphaStar = alpha2 + ((alpha2-alpha1)*(f1-f3))/(3*(f1-2*f2+f3)); //Guarantee that the new alphaStar is within the bracket if (alphaStar >= alpha3 || alphaStar <= alpha1) alphaStar = alpha2; if (alphaStar > alphaMax) alphaStar = alphaMax; if (alphaStar != alphaStar) alphaStar = 0.; //Take a final step to alphaStar x = x0 .add( xdir.scalarMultiply( alphaStar ) ); TCAD.math.setParams2(subsys, x.data); return alphaStar; }; TCAD.math.lineSearch3 = function(sys, xdir) { var x0 = new TCAD.math.Vector(sys.params.length); var x = new TCAD.math.Vector(sys.params.length); TCAD.math.fillParams(sys, x0.data); var alphas = []; for (var i = 0; i < xdir.data.length; i++) { alphas[i] = Number.MAX_VALUE; } for (var i = 0; i < sys.constraints.length; i++) { TCAD.math.lineSearchForConstraint(sys.constraints[i], alphas, xdir, sys); TCAD.math.setParams2(sys, x0.data); } for (var i = 0; i < xdir.data.length; i++) { x.data[i][0] = xdir.data[i][0] * alphas[i] + x0.data[i][0]; } //Take a final step to alphaStar TCAD.math.setParams2(sys, x.data); }; TCAD.math.lineSearchForConstraint = function(constr, alphas, _xdir, sys) { var f1,f2,f3,alpha1,alpha2,alpha3,alphaStar; var alphaMax = 1e28; //maxStep(xdir); var x; var xdir = new TCAD.math.Vector(constr.params.length); var x0 = new TCAD.math.Vector(constr.params.length); for (var p = 0; p < constr.params.length; p++) { x0.data[p][0] = constr.params[p].get(); xdir.data[p][0] = _xdir.data[constr.params[p].j][0]; } function errorSquare() { // var t = constr.error(); // return t*t*0.5; return sys.errorSquare(); } function setParams2(x) { for (var p = 0; p < constr.params.length; p++) { constr.params[p].set(x.data[p][0]); } } //Start at the initial position alpha1 = 0 alpha1 = 0.; f1 = errorSquare(); //Take a step of alpha2 = 1 alpha2 = 1.; x = x0.add(xdir.scalarMultiply(alpha2)); setParams2(x); f2 = errorSquare(); //Take a step of alpha3 = 2*alpha2 alpha3 = alpha2*2; x = x0.add(xdir.scalarMultiply(alpha3)); setParams2(x); f3 = errorSquare(); //Now reduce or lengthen alpha2 and alpha3 until the minimum is //Bracketed by the triplet f1>f2 f1 || f2 > f3) { if (f2 > f1) { //If f2 is greater than f1 then we shorten alpha2 and alpha3 closer to f1 //Effectively both are shortened by a factor of two. alpha3 = alpha2; f3 = f2; alpha2 = alpha2 / 2; x = x0.add( xdir.scalarMultiply(alpha2 )); setParams2(x); f2 = errorSquare(); } else if (f2 > f3) { if (alpha3 >= alphaMax) break; //If f2 is greater than f3 then we increase alpha2 and alpha3 away from f1 //Effectively both are lengthened by a factor of two. alpha2 = alpha3; f2 = f3; alpha3 = alpha3 * 2; x = x0.add( xdir.scalarMultiply(alpha3)); setParams2(x); f3 = errorSquare(); } } //Get the alpha for the minimum f of the quadratic approximation alphaStar = alpha2 + ((alpha2-alpha1)*(f1-f3))/(3*(f1-2*f2+f3)); //Guarantee that the new alphaStar is within the bracket if (alphaStar >= alpha3 || alphaStar <= alpha1) alphaStar = alpha2; if (alphaStar > alphaMax) alphaStar = alphaMax; if (alphaStar != alphaStar) alphaStar = 0.; for (var p = 0; p < constr.params.length; p++) { var j = constr.params[p].j; alphas[j] = Math.min(alphas[j], alphaStar); } return alphaStar; }; TCAD.math.lineSearch2 = function(subsys, xdir) { var x0 = new TCAD.math.Vector(subsys.params.length); TCAD.math.fillParams(subsys, x0.data); var alpha = 1.; var f0 = subsys.errorSquare(); var x = x0.add(xdir.scalarMultiply(alpha)); TCAD.math.setParams2(subsys, x.data); var f = subsys.errorSquare(); while (f > f0 || alpha > 0.00000001) { alpha *= .5; x = x0.add(xdir.scalarMultiply(alpha)); TCAD.math.setParams2(subsys, x.data); f = subsys.errorSquare(); } return alphaStar; };