#include #include <../src/tao/bound/impls/bnk/bnk.h> #include static const char *BNK_PC[64] = {"none", "ahess", "bfgs", "petsc"}; static const char *BFGS_SCALE[64] = {"ahess", "phess", "bfgs"}; static const char *BNK_INIT[64] = {"constant", "direction", "interpolation"}; static const char *BNK_UPDATE[64] = {"step", "reduction", "interpolation"}; static const char *BNK_AS[64] = {"none", "bertsekas"}; /*------------------------------------------------------------*/ /* Routine for BFGS preconditioner */ PetscErrorCode MatLMVMSolveShell(PC pc, Vec b, Vec x) { PetscErrorCode ierr; Mat M; PetscFunctionBegin; PetscValidHeaderSpecific(pc,PC_CLASSID,1); PetscValidHeaderSpecific(b,VEC_CLASSID,2); PetscValidHeaderSpecific(x,VEC_CLASSID,3); ierr = PCShellGetContext(pc,(void**)&M);CHKERRQ(ierr); ierr = MatLMVMSolve(M, b, x);CHKERRQ(ierr); PetscFunctionReturn(0); } /*------------------------------------------------------------*/ /* Routine for initializing the KSP solver, the BFGS preconditioner, and the initial trust radius estimation */ PetscErrorCode TaoBNKInitialize(Tao tao, PetscInt initType, PetscBool *needH) { PetscErrorCode ierr; TAO_BNK *bnk = (TAO_BNK *)tao->data; PC pc; PetscReal f_min, ftrial, prered, actred, kappa, sigma, resnorm; PetscReal tau, tau_1, tau_2, tau_max, tau_min, max_radius; PetscReal delta; PetscInt n,N,nDiff; PetscInt i_max = 5; PetscInt j_max = 1; PetscInt i, j; PetscFunctionBegin; /* Project the current point onto the feasible set */ ierr = TaoComputeVariableBounds(tao);CHKERRQ(ierr); ierr = TaoSetVariableBounds(bnk->bncg, tao->XL, tao->XU);CHKERRQ(ierr); ierr = TaoLineSearchSetVariableBounds(tao->linesearch,tao->XL,tao->XU);CHKERRQ(ierr); /* Project the initial point onto the feasible region */ ierr = TaoBoundSolution(tao->solution, tao->XL,tao->XU, 0.0, &nDiff, tao->solution);CHKERRQ(ierr); /* Check convergence criteria */ ierr = TaoComputeObjectiveAndGradient(tao, tao->solution, &bnk->f, bnk->unprojected_gradient);CHKERRQ(ierr); ierr = TaoBNKEstimateActiveSet(tao, bnk->as_type);CHKERRQ(ierr); ierr = VecCopy(bnk->unprojected_gradient, tao->gradient);CHKERRQ(ierr); ierr = VecISSet(tao->gradient, bnk->active_idx, 0.0);CHKERRQ(ierr); ierr = VecNorm(tao->gradient,NORM_2,&bnk->gnorm);CHKERRQ(ierr); /* Test the initial point for convergence */ ierr = VecFischer(tao->solution, bnk->unprojected_gradient, tao->XL, tao->XU, bnk->W);CHKERRQ(ierr); ierr = VecNorm(bnk->W, NORM_2, &resnorm);CHKERRQ(ierr); if (PetscIsInfOrNanReal(bnk->f) || PetscIsInfOrNanReal(resnorm)) SETERRQ(PETSC_COMM_SELF,1, "User provided compute function generated Inf or NaN"); ierr = TaoLogConvergenceHistory(tao,bnk->f,resnorm,0.0,tao->ksp_its);CHKERRQ(ierr); ierr = TaoMonitor(tao,tao->niter,bnk->f,resnorm,0.0,1.0);CHKERRQ(ierr); ierr = (*tao->ops->convergencetest)(tao,tao->cnvP);CHKERRQ(ierr); if (tao->reason != TAO_CONTINUE_ITERATING) PetscFunctionReturn(0); /* Reset KSP stopping reason counters */ bnk->ksp_atol = 0; bnk->ksp_rtol = 0; bnk->ksp_dtol = 0; bnk->ksp_ctol = 0; bnk->ksp_negc = 0; bnk->ksp_iter = 0; bnk->ksp_othr = 0; /* Reset accepted step type counters */ bnk->tot_cg_its = 0; bnk->newt = 0; bnk->bfgs = 0; bnk->sgrad = 0; bnk->grad = 0; /* Initialize the Hessian perturbation */ bnk->pert = bnk->sval; /* Reset initial steplength to zero (this helps BNCG reset its direction internally) */ ierr = VecSet(tao->stepdirection, 0.0);CHKERRQ(ierr); /* Allocate the vectors needed for the BFGS approximation */ if (BNK_PC_BFGS == bnk->pc_type) { if (!bnk->M) { ierr = VecGetLocalSize(tao->solution,&n);CHKERRQ(ierr); ierr = VecGetSize(tao->solution,&N);CHKERRQ(ierr); ierr = MatCreateLMVM(((PetscObject)tao)->comm,n,N,&bnk->M);CHKERRQ(ierr); ierr = MatLMVMAllocateVectors(bnk->M,tao->solution);CHKERRQ(ierr); } if (bnk->bfgs_scale_type != BFGS_SCALE_BFGS && !bnk->Diag) { ierr = VecDuplicate(tao->solution,&bnk->Diag);CHKERRQ(ierr); } } /* Prepare the min/max vectors for safeguarding diagonal scales */ ierr = VecSet(bnk->Diag_min, bnk->dmin);CHKERRQ(ierr); ierr = VecSet(bnk->Diag_max, bnk->dmax);CHKERRQ(ierr); /* Modify the preconditioner to use the bfgs approximation */ ierr = KSPGetPC(tao->ksp, &pc);CHKERRQ(ierr); switch(bnk->pc_type) { case BNK_PC_NONE: ierr = PCSetType(pc, PCNONE);CHKERRQ(ierr); ierr = PCSetFromOptions(pc);CHKERRQ(ierr); break; case BNK_PC_AHESS: ierr = PCSetType(pc, PCJACOBI);CHKERRQ(ierr); ierr = PCSetFromOptions(pc);CHKERRQ(ierr); ierr = PCJacobiSetUseAbs(pc,PETSC_TRUE);CHKERRQ(ierr); break; case BNK_PC_BFGS: ierr = PCSetType(pc, PCSHELL);CHKERRQ(ierr); ierr = PCSetFromOptions(pc);CHKERRQ(ierr); ierr = PCShellSetName(pc, "bfgs");CHKERRQ(ierr); ierr = PCShellSetContext(pc, bnk->M);CHKERRQ(ierr); ierr = PCShellSetApply(pc, MatLMVMSolveShell);CHKERRQ(ierr); break; default: /* Use the pc method set by pc_type */ break; } /* Initialize trust-region radius. The initialization is only performed when we are using Nash, Steihaug-Toint or the Generalized Lanczos method. */ *needH = PETSC_TRUE; if (bnk->is_nash || bnk->is_stcg || bnk->is_gltr) { switch(initType) { case BNK_INIT_CONSTANT: /* Use the initial radius specified */ tao->trust = tao->trust0; break; case BNK_INIT_INTERPOLATION: /* Use interpolation based on the initial Hessian */ max_radius = 0.0; tao->trust = tao->trust0; for (j = 0; j < j_max; ++j) { f_min = bnk->f; sigma = 0.0; if (*needH) { /* Compute the Hessian at the new step, and extract the inactive subsystem */ ierr = TaoBNKComputeHessian(tao);CHKERRQ(ierr); ierr = TaoBNKEstimateActiveSet(tao, BNK_AS_NONE);CHKERRQ(ierr); ierr = MatDestroy(&bnk->H_inactive);CHKERRQ(ierr); if (bnk->active_idx) { ierr = MatCreateSubMatrix(tao->hessian, bnk->inactive_idx, bnk->inactive_idx, MAT_INITIAL_MATRIX, &bnk->H_inactive);CHKERRQ(ierr); } else { ierr = MatDuplicate(tao->hessian, MAT_COPY_VALUES, &bnk->H_inactive);CHKERRQ(ierr); } *needH = PETSC_FALSE; } for (i = 0; i < i_max; ++i) { /* Take a steepest descent step and snap it to bounds */ ierr = VecCopy(tao->solution, bnk->Xold);CHKERRQ(ierr); ierr = VecAXPY(tao->solution, -tao->trust/bnk->gnorm, tao->gradient);CHKERRQ(ierr); ierr = TaoBoundSolution(tao->solution, tao->XL,tao->XU, 0.0, &nDiff, tao->solution);CHKERRQ(ierr); /* Compute the step we actually accepted */ ierr = VecCopy(tao->solution, bnk->W);CHKERRQ(ierr); ierr = VecAXPY(bnk->W, -1.0, bnk->Xold);CHKERRQ(ierr); /* Compute the objective at the trial */ ierr = TaoComputeObjective(tao, tao->solution, &ftrial);CHKERRQ(ierr); if (PetscIsInfOrNanReal(bnk->f)) SETERRQ(PETSC_COMM_SELF,1, "User provided compute function generated Inf or NaN"); ierr = VecCopy(bnk->Xold, tao->solution);CHKERRQ(ierr); if (PetscIsInfOrNanReal(ftrial)) { tau = bnk->gamma1_i; } else { if (ftrial < f_min) { f_min = ftrial; sigma = -tao->trust / bnk->gnorm; } /* Compute the predicted and actual reduction */ if (bnk->active_idx) { ierr = VecGetSubVector(bnk->W, bnk->inactive_idx, &bnk->X_inactive);CHKERRQ(ierr); ierr = VecGetSubVector(bnk->Xwork, bnk->inactive_idx, &bnk->inactive_work);CHKERRQ(ierr); } else { bnk->X_inactive = bnk->W; bnk->inactive_work = bnk->Xwork; } ierr = MatMult(bnk->H_inactive, bnk->X_inactive, bnk->inactive_work);CHKERRQ(ierr); ierr = VecDot(bnk->X_inactive, bnk->inactive_work, &prered);CHKERRQ(ierr); if (bnk->active_idx) { ierr = VecRestoreSubVector(bnk->W, bnk->inactive_idx, &bnk->X_inactive);CHKERRQ(ierr); ierr = VecRestoreSubVector(bnk->Xwork, bnk->inactive_idx, &bnk->inactive_work);CHKERRQ(ierr); } prered = tao->trust * (bnk->gnorm - 0.5 * tao->trust * prered / (bnk->gnorm * bnk->gnorm)); actred = bnk->f - ftrial; if ((PetscAbsScalar(actred) <= bnk->epsilon) && (PetscAbsScalar(prered) <= bnk->epsilon)) { kappa = 1.0; } else { kappa = actred / prered; } tau_1 = bnk->theta_i * bnk->gnorm * tao->trust / (bnk->theta_i * bnk->gnorm * tao->trust + (1.0 - bnk->theta_i) * prered - actred); tau_2 = bnk->theta_i * bnk->gnorm * tao->trust / (bnk->theta_i * bnk->gnorm * tao->trust - (1.0 + bnk->theta_i) * prered + actred); tau_min = PetscMin(tau_1, tau_2); tau_max = PetscMax(tau_1, tau_2); if (PetscAbsScalar(kappa - 1.0) <= bnk->mu1_i) { /* Great agreement */ max_radius = PetscMax(max_radius, tao->trust); if (tau_max < 1.0) { tau = bnk->gamma3_i; } else if (tau_max > bnk->gamma4_i) { tau = bnk->gamma4_i; } else { tau = tau_max; } } else if (PetscAbsScalar(kappa - 1.0) <= bnk->mu2_i) { /* Good agreement */ max_radius = PetscMax(max_radius, tao->trust); if (tau_max < bnk->gamma2_i) { tau = bnk->gamma2_i; } else if (tau_max > bnk->gamma3_i) { tau = bnk->gamma3_i; } else { tau = tau_max; } } else { /* Not good agreement */ if (tau_min > 1.0) { tau = bnk->gamma2_i; } else if (tau_max < bnk->gamma1_i) { tau = bnk->gamma1_i; } else if ((tau_min < bnk->gamma1_i) && (tau_max >= 1.0)) { tau = bnk->gamma1_i; } else if ((tau_1 >= bnk->gamma1_i) && (tau_1 < 1.0) && ((tau_2 < bnk->gamma1_i) || (tau_2 >= 1.0))) { tau = tau_1; } else if ((tau_2 >= bnk->gamma1_i) && (tau_2 < 1.0) && ((tau_1 < bnk->gamma1_i) || (tau_2 >= 1.0))) { tau = tau_2; } else { tau = tau_max; } } } tao->trust = tau * tao->trust; } if (f_min < bnk->f) { /* We accidentally found a solution better than the initial, so accept it */ bnk->f = f_min; ierr = VecCopy(tao->solution, bnk->Xold);CHKERRQ(ierr); ierr = VecAXPY(tao->solution,sigma,tao->gradient);CHKERRQ(ierr); ierr = TaoBoundSolution(tao->solution, tao->XL,tao->XU, 0.0, &nDiff, tao->solution);CHKERRQ(ierr); ierr = VecCopy(tao->solution, tao->stepdirection);CHKERRQ(ierr); ierr = VecAXPY(tao->stepdirection, -1.0, bnk->Xold);CHKERRQ(ierr); ierr = TaoComputeGradient(tao,tao->solution,bnk->unprojected_gradient);CHKERRQ(ierr); ierr = TaoBNKEstimateActiveSet(tao, bnk->as_type);CHKERRQ(ierr); ierr = VecCopy(bnk->unprojected_gradient, tao->gradient);CHKERRQ(ierr); ierr = VecISSet(tao->gradient, bnk->active_idx, 0.0);CHKERRQ(ierr); /* Compute gradient at the new iterate and flip switch to compute the Hessian later */ ierr = VecNorm(tao->gradient, NORM_2, &bnk->gnorm);CHKERRQ(ierr); *needH = PETSC_TRUE; /* Test the new step for convergence */ ierr = VecFischer(tao->solution, bnk->unprojected_gradient, tao->XL, tao->XU, bnk->W);CHKERRQ(ierr); ierr = VecNorm(bnk->W, NORM_2, &resnorm);CHKERRQ(ierr); if (PetscIsInfOrNanReal(resnorm)) SETERRQ(PETSC_COMM_SELF,1, "User provided compute function generated Inf or NaN"); ierr = TaoLogConvergenceHistory(tao,bnk->f,resnorm,0.0,tao->ksp_its);CHKERRQ(ierr); ierr = TaoMonitor(tao,tao->niter,bnk->f,resnorm,0.0,1.0);CHKERRQ(ierr); ierr = (*tao->ops->convergencetest)(tao,tao->cnvP);CHKERRQ(ierr); if (tao->reason != TAO_CONTINUE_ITERATING) PetscFunctionReturn(0); /* active BNCG recycling early because we have a stepdirection computed */ ierr = TaoBNCGSetRecycleFlag(bnk->bncg, PETSC_TRUE);CHKERRQ(ierr); } } tao->trust = PetscMax(tao->trust, max_radius); /* Ensure that the trust radius is within the limits */ tao->trust = PetscMax(tao->trust, bnk->min_radius); tao->trust = PetscMin(tao->trust, bnk->max_radius); break; default: /* Norm of the first direction will initialize radius */ tao->trust = 0.0; break; } } /* Set initial scaling for the BFGS preconditioner This step is done after computing the initial trust-region radius since the function value may have decreased */ if (BNK_PC_BFGS == bnk->pc_type) { delta = 2.0 * PetscMax(1.0, PetscAbsScalar(bnk->f)) / (bnk->gnorm*bnk->gnorm); ierr = MatLMVMSetDelta(bnk->M,delta);CHKERRQ(ierr); } PetscFunctionReturn(0); } /*------------------------------------------------------------*/ /* Routine for computing the Hessian and preparing the preconditioner at the new iterate */ PetscErrorCode TaoBNKComputeHessian(Tao tao) { PetscErrorCode ierr; TAO_BNK *bnk = (TAO_BNK *)tao->data; PetscBool diagExists; PetscReal delta; PetscFunctionBegin; /* Compute the Hessian */ ierr = TaoComputeHessian(tao,tao->solution,tao->hessian,tao->hessian_pre);CHKERRQ(ierr); /* Add a correction to the BFGS preconditioner */ if (BNK_PC_BFGS == bnk->pc_type) { ierr = MatLMVMUpdate(bnk->M, tao->solution, bnk->unprojected_gradient);CHKERRQ(ierr); /* Update the BFGS diagonal scaling */ ierr = MatHasOperation(tao->hessian, MATOP_GET_DIAGONAL, &diagExists);CHKERRQ(ierr); if (BFGS_SCALE_AHESS == bnk->bfgs_scale_type && diagExists) { ierr = MatGetDiagonal(tao->hessian, bnk->Diag);CHKERRQ(ierr); ierr = VecAbs(bnk->Diag);CHKERRQ(ierr); ierr = VecMedian(bnk->Diag_min, bnk->Diag, bnk->Diag_max, bnk->Diag);CHKERRQ(ierr); ierr = VecReciprocal(bnk->Diag);CHKERRQ(ierr); ierr = MatLMVMSetScale(bnk->M,bnk->Diag);CHKERRQ(ierr); } else { /* Fall back onto stand-alone BFGS scaling */ delta = 2.0 * PetscMax(1.0, PetscAbsScalar(bnk->f)) / (bnk->gnorm*bnk->gnorm); ierr = MatLMVMSetDelta(bnk->M,delta);CHKERRQ(ierr); } } PetscFunctionReturn(0); } /*------------------------------------------------------------*/ /* Routine for estimating the active set */ PetscErrorCode TaoBNKEstimateActiveSet(Tao tao, PetscInt asType) { PetscErrorCode ierr; TAO_BNK *bnk = (TAO_BNK *)tao->data; PetscBool hessComputed, diagExists; PetscFunctionBegin; switch (asType) { case BNK_AS_NONE: ierr = ISDestroy(&bnk->inactive_idx);CHKERRQ(ierr); ierr = VecWhichInactive(tao->XL, tao->solution, bnk->unprojected_gradient, tao->XU, PETSC_TRUE, &bnk->inactive_idx);CHKERRQ(ierr); ierr = ISDestroy(&bnk->active_idx);CHKERRQ(ierr); ierr = ISComplementVec(bnk->inactive_idx, tao->solution, &bnk->active_idx);CHKERRQ(ierr); break; case BNK_AS_BERTSEKAS: /* Compute the trial step vector with which we will estimate the active set at the next iteration */ if (BNK_PC_BFGS == bnk->pc_type) { /* If the BFGS preconditioner matrix is available, we will construct a trial step with it */ ierr = MatLMVMSetInactive(bnk->M, NULL);CHKERRQ(ierr); ierr = MatLMVMSolve(bnk->M, bnk->unprojected_gradient, bnk->W);CHKERRQ(ierr); } else { ierr = MatAssembled(tao->hessian, &hessComputed);CHKERRQ(ierr); ierr = MatHasOperation(tao->hessian, MATOP_GET_DIAGONAL, &diagExists);CHKERRQ(ierr); if (hessComputed && diagExists) { /* BFGS preconditioner doesn't exist so let's invert the absolute diagonal of the Hessian instead onto the gradient */ ierr = MatGetDiagonal(tao->hessian, bnk->Xwork);CHKERRQ(ierr); ierr = VecAbs(bnk->Xwork);CHKERRQ(ierr); ierr = VecMedian(bnk->Diag_min, bnk->Xwork, bnk->Diag_max, bnk->Xwork);CHKERRQ(ierr); ierr = VecReciprocal(bnk->Xwork);CHKERRQ(ierr);CHKERRQ(ierr); ierr = VecPointwiseMult(bnk->W, bnk->Xwork, bnk->unprojected_gradient);CHKERRQ(ierr); } else { /* If the Hessian or its diagonal does not exist, we will simply use gradient step */ ierr = VecCopy(bnk->unprojected_gradient, bnk->W);CHKERRQ(ierr); } } ierr = VecScale(bnk->W, -1.0);CHKERRQ(ierr); ierr = TaoEstimateActiveBounds(tao->solution, tao->XL, tao->XU, bnk->unprojected_gradient, bnk->W, bnk->Xwork, bnk->as_step, &bnk->as_tol, &bnk->active_lower, &bnk->active_upper, &bnk->active_fixed, &bnk->active_idx, &bnk->inactive_idx);CHKERRQ(ierr); break; default: break; } PetscFunctionReturn(0); } /*------------------------------------------------------------*/ /* Routine for bounding the step direction */ PetscErrorCode TaoBNKBoundStep(Tao tao, PetscInt asType, Vec step) { PetscErrorCode ierr; TAO_BNK *bnk = (TAO_BNK *)tao->data; PetscFunctionBegin; switch (asType) { case BNK_AS_NONE: ierr = VecISSet(step, bnk->active_idx, 0.0);CHKERRQ(ierr); break; case BNK_AS_BERTSEKAS: ierr = TaoBoundStep(tao->solution, tao->XL, tao->XU, bnk->active_lower, bnk->active_upper, bnk->active_fixed, 1.0, step);CHKERRQ(ierr); break; default: break; } PetscFunctionReturn(0); } /*------------------------------------------------------------*/ /* Routine for taking a finite number of BNCG iterations to accelerate Newton convergence. In practice, this approach simply trades off Hessian evaluations for more gradient evaluations. */ PetscErrorCode TaoBNKTakeCGSteps(Tao tao, PetscBool *terminate) { TAO_BNK *bnk = (TAO_BNK *)tao->data; PetscErrorCode ierr; PetscFunctionBegin; *terminate = PETSC_FALSE; if (bnk->max_cg_its > 0) { /* Copy the current function value (important vectors are already shared) */ bnk->bncg_ctx->f = bnk->f; /* Take some small finite number of BNCG iterations */ ierr = TaoSolve(bnk->bncg);CHKERRQ(ierr); /* Add the number of gradient and function evaluations to the total */ tao->nfuncs += bnk->bncg->nfuncs; tao->nfuncgrads += bnk->bncg->nfuncgrads; tao->ngrads += bnk->bncg->ngrads; tao->nhess += bnk->bncg->nhess; bnk->tot_cg_its += bnk->bncg->niter; /* Extract the BNCG function value out and save it into BNK */ bnk->f = bnk->bncg_ctx->f; if (bnk->bncg->reason == TAO_CONVERGED_GATOL || bnk->bncg->reason == TAO_CONVERGED_GRTOL || bnk->bncg->reason == TAO_CONVERGED_GTTOL || bnk->bncg->reason == TAO_CONVERGED_MINF) { *terminate = PETSC_TRUE; } else { ierr = TaoBNKEstimateActiveSet(tao, bnk->as_type); } } PetscFunctionReturn(0); } /*------------------------------------------------------------*/ /* Routine for computing the Newton step. */ PetscErrorCode TaoBNKComputeStep(Tao tao, PetscBool shift, KSPConvergedReason *ksp_reason) { PetscErrorCode ierr; TAO_BNK *bnk = (TAO_BNK *)tao->data; PetscReal delta; PetscInt bfgsUpdates = 0; PetscInt kspits; PetscBool diagExists; PetscFunctionBegin; /* If there are no inactive variables left, save some computation and return an adjusted zero step that has (l-x) and (u-x) for lower and upper bounded variables. */ if (!bnk->inactive_idx) { ierr = VecSet(tao->stepdirection, 0.0);CHKERRQ(ierr); ierr = TaoBNKBoundStep(tao, bnk->as_type, tao->stepdirection);CHKERRQ(ierr); PetscFunctionReturn(0); } /* Prepare the reduced sub-matrices for the inactive set */ if (BNK_PC_BFGS == bnk->pc_type) { ierr = MatLMVMSetInactive(bnk->M, bnk->inactive_idx);CHKERRQ(ierr); } if (bnk->active_idx) { ierr = MatDestroy(&bnk->H_inactive); ierr = MatCreateSubMatrix(tao->hessian, bnk->inactive_idx, bnk->inactive_idx, MAT_INITIAL_MATRIX, &bnk->H_inactive);CHKERRQ(ierr); if (tao->hessian == tao->hessian_pre) { bnk->Hpre_inactive = bnk->H_inactive; } else { ierr = MatDestroy(&bnk->Hpre_inactive); ierr = MatCreateSubMatrix(tao->hessian_pre, bnk->inactive_idx, bnk->inactive_idx, MAT_INITIAL_MATRIX, &bnk->Hpre_inactive);CHKERRQ(ierr); } } else { ierr = MatDestroy(&bnk->H_inactive); ierr = MatDuplicate(tao->hessian, MAT_COPY_VALUES, &bnk->H_inactive); if (tao->hessian == tao->hessian_pre) { bnk->Hpre_inactive = bnk->H_inactive; } else { ierr = MatDestroy(&bnk->Hpre_inactive); ierr = MatDuplicate(tao->hessian_pre, MAT_COPY_VALUES, &bnk->Hpre_inactive); } } /* Shift the reduced Hessian matrix */ if ((shift) && (bnk->pert > 0)) { ierr = MatShift(bnk->H_inactive, bnk->pert);CHKERRQ(ierr); if (bnk->H_inactive != bnk->Hpre_inactive) { ierr = MatShift(bnk->Hpre_inactive, bnk->pert);CHKERRQ(ierr); } } /* Update the diagonal scaling for the BFGS preconditioner, this time with the Hessian perturbation */ if ((BNK_PC_BFGS == bnk->pc_type) && (BFGS_SCALE_PHESS == bnk->bfgs_scale_type)) { ierr = MatHasOperation(bnk->H_inactive, MATOP_GET_DIAGONAL, &diagExists);CHKERRQ(ierr); if (diagExists) { /* Obtain diagonal for the bfgs preconditioner */ ierr = VecSet(bnk->Diag, 1.0);CHKERRQ(ierr); if (bnk->active_idx) { ierr = VecGetSubVector(bnk->Diag, bnk->inactive_idx, &bnk->Diag_red);CHKERRQ(ierr); } else { bnk->Diag_red = bnk->Diag; } ierr = MatGetDiagonal(bnk->H_inactive, bnk->Diag_red);CHKERRQ(ierr); if (bnk->active_idx) { ierr = VecRestoreSubVector(bnk->Diag, bnk->inactive_idx, &bnk->Diag_red);CHKERRQ(ierr); } ierr = VecAbs(bnk->Diag);CHKERRQ(ierr); ierr = VecMedian(bnk->Diag_min, bnk->Diag, bnk->Diag_max, bnk->Diag);CHKERRQ(ierr); ierr = VecReciprocal(bnk->Diag);CHKERRQ(ierr); ierr = MatLMVMSetScale(bnk->M,bnk->Diag);CHKERRQ(ierr); } else { /* Fall back onto stand-alone BFGS scaling */ delta = 2.0 * PetscMax(1.0, PetscAbsScalar(bnk->f)) / (bnk->gnorm*bnk->gnorm); ierr = MatLMVMSetDelta(bnk->M,delta);CHKERRQ(ierr); } } /* Solve the Newton system of equations */ tao->ksp_its = 0; ierr = VecSet(tao->stepdirection, 0.0);CHKERRQ(ierr); ierr = KSPReset(tao->ksp);CHKERRQ(ierr); ierr = KSPSetOperators(tao->ksp,bnk->H_inactive,bnk->Hpre_inactive);CHKERRQ(ierr); ierr = VecCopy(bnk->unprojected_gradient, bnk->Gwork);CHKERRQ(ierr); if (bnk->active_idx) { ierr = VecGetSubVector(bnk->Gwork, bnk->inactive_idx, &bnk->G_inactive);CHKERRQ(ierr); ierr = VecGetSubVector(tao->stepdirection, bnk->inactive_idx, &bnk->X_inactive);CHKERRQ(ierr); } else { bnk->G_inactive = bnk->unprojected_gradient; bnk->X_inactive = tao->stepdirection; } if (bnk->is_nash || bnk->is_stcg || bnk->is_gltr) { ierr = KSPCGSetRadius(tao->ksp,tao->trust);CHKERRQ(ierr); ierr = KSPSolve(tao->ksp, bnk->G_inactive, bnk->X_inactive);CHKERRQ(ierr); ierr = KSPGetIterationNumber(tao->ksp,&kspits);CHKERRQ(ierr); tao->ksp_its+=kspits; tao->ksp_tot_its+=kspits; ierr = KSPCGGetNormD(tao->ksp,&bnk->dnorm);CHKERRQ(ierr); if (0.0 == tao->trust) { /* Radius was uninitialized; use the norm of the direction */ if (bnk->dnorm > 0.0) { tao->trust = bnk->dnorm; /* Modify the radius if it is too large or small */ tao->trust = PetscMax(tao->trust, bnk->min_radius); tao->trust = PetscMin(tao->trust, bnk->max_radius); } else { /* The direction was bad; set radius to default value and re-solve the trust-region subproblem to get a direction */ tao->trust = tao->trust0; /* Modify the radius if it is too large or small */ tao->trust = PetscMax(tao->trust, bnk->min_radius); tao->trust = PetscMin(tao->trust, bnk->max_radius); ierr = KSPCGSetRadius(tao->ksp,tao->trust);CHKERRQ(ierr); ierr = KSPSolve(tao->ksp, bnk->G_inactive, bnk->X_inactive);CHKERRQ(ierr); ierr = KSPGetIterationNumber(tao->ksp,&kspits);CHKERRQ(ierr); tao->ksp_its+=kspits; tao->ksp_tot_its+=kspits; ierr = KSPCGGetNormD(tao->ksp,&bnk->dnorm);CHKERRQ(ierr); if (bnk->dnorm == 0.0) SETERRQ(PETSC_COMM_SELF,1, "Initial direction zero"); } } } else { ierr = KSPSolve(tao->ksp, bnk->G_inactive, bnk->X_inactive);CHKERRQ(ierr); ierr = KSPGetIterationNumber(tao->ksp, &kspits);CHKERRQ(ierr); tao->ksp_its += kspits; tao->ksp_tot_its+=kspits; } /* Restore sub vectors back */ if (bnk->active_idx) { ierr = VecRestoreSubVector(bnk->Gwork, bnk->inactive_idx, &bnk->G_inactive);CHKERRQ(ierr); ierr = VecRestoreSubVector(tao->stepdirection, bnk->inactive_idx, &bnk->X_inactive);CHKERRQ(ierr); } /* Make sure the safeguarded fall-back step is zero for actively bounded variables */ ierr = VecScale(tao->stepdirection, -1.0);CHKERRQ(ierr); ierr = TaoBNKBoundStep(tao, bnk->as_type, tao->stepdirection);CHKERRQ(ierr); /* Record convergence reasons */ ierr = KSPGetConvergedReason(tao->ksp, ksp_reason);CHKERRQ(ierr); if (KSP_CONVERGED_ATOL == *ksp_reason) { ++bnk->ksp_atol; } else if (KSP_CONVERGED_RTOL == *ksp_reason) { ++bnk->ksp_rtol; } else if (KSP_CONVERGED_CG_CONSTRAINED == *ksp_reason) { ++bnk->ksp_ctol; } else if (KSP_CONVERGED_CG_NEG_CURVE == *ksp_reason) { ++bnk->ksp_negc; } else if (KSP_DIVERGED_DTOL == *ksp_reason) { ++bnk->ksp_dtol; } else if (KSP_DIVERGED_ITS == *ksp_reason) { ++bnk->ksp_iter; } else { ++bnk->ksp_othr; } /* Make sure the BFGS preconditioner is healthy */ if (bnk->pc_type == BNK_PC_BFGS) { ierr = MatLMVMGetUpdates(bnk->M, &bfgsUpdates);CHKERRQ(ierr); if ((KSP_DIVERGED_INDEFINITE_PC == *ksp_reason) && (bfgsUpdates > 1)) { /* Preconditioner is numerically indefinite; reset the approximation. */ delta = 2.0 * PetscMax(1.0, PetscAbsScalar(bnk->f)) / (bnk->gnorm*bnk->gnorm); ierr = MatLMVMSetDelta(bnk->M,delta);CHKERRQ(ierr); ierr = MatLMVMReset(bnk->M);CHKERRQ(ierr); ierr = MatLMVMUpdate(bnk->M, tao->solution, bnk->unprojected_gradient);CHKERRQ(ierr); } } PetscFunctionReturn(0); } /*------------------------------------------------------------*/ /* Routine for recomputing the predicted reduction for a given step vector */ PetscErrorCode TaoBNKRecomputePred(Tao tao, Vec S, PetscReal *prered) { PetscErrorCode ierr; TAO_BNK *bnk = (TAO_BNK *)tao->data; PetscFunctionBegin; /* Extract subvectors associated with the inactive set */ if (bnk->active_idx){ ierr = VecGetSubVector(tao->stepdirection, bnk->inactive_idx, &bnk->X_inactive);CHKERRQ(ierr); ierr = VecGetSubVector(bnk->Xwork, bnk->inactive_idx, &bnk->inactive_work);CHKERRQ(ierr); ierr = VecGetSubVector(bnk->Gwork, bnk->inactive_idx, &bnk->G_inactive);CHKERRQ(ierr); } else { bnk->X_inactive = tao->stepdirection; bnk->inactive_work = bnk->Xwork; bnk->G_inactive = bnk->Gwork; } /* Recompute the predicted decrease based on the quadratic model */ ierr = MatMult(bnk->H_inactive, bnk->X_inactive, bnk->inactive_work);CHKERRQ(ierr); ierr = VecAYPX(bnk->inactive_work, -0.5, bnk->G_inactive);CHKERRQ(ierr); ierr = VecDot(bnk->inactive_work, bnk->X_inactive, prered); /* Restore the sub vectors */ if (bnk->active_idx){ ierr = VecRestoreSubVector(tao->stepdirection, bnk->inactive_idx, &bnk->X_inactive);CHKERRQ(ierr); ierr = VecRestoreSubVector(bnk->Xwork, bnk->inactive_idx, &bnk->inactive_work);CHKERRQ(ierr); ierr = VecRestoreSubVector(bnk->Gwork, bnk->inactive_idx, &bnk->G_inactive);CHKERRQ(ierr); } PetscFunctionReturn(0); } /*------------------------------------------------------------*/ /* Routine for ensuring that the Newton step is a descent direction. The step direction falls back onto BFGS, scaled gradient and gradient steps in the event that the Newton step fails the test. */ PetscErrorCode TaoBNKSafeguardStep(Tao tao, KSPConvergedReason ksp_reason, PetscInt *stepType) { PetscErrorCode ierr; TAO_BNK *bnk = (TAO_BNK *)tao->data; PetscReal gdx, delta, e_min; PetscInt bfgsUpdates; PetscFunctionBegin; ierr = VecDot(tao->stepdirection, tao->gradient, &gdx);CHKERRQ(ierr); if ((gdx >= 0.0) || PetscIsInfOrNanReal(gdx)) { /* Newton step is not descent or direction produced Inf or NaN Update the perturbation for next time */ if (bnk->pert <= 0.0) { /* Initialize the perturbation */ bnk->pert = PetscMin(bnk->imax, PetscMax(bnk->imin, bnk->imfac * bnk->gnorm)); if (bnk->is_gltr) { ierr = KSPCGGLTRGetMinEig(tao->ksp,&e_min);CHKERRQ(ierr); bnk->pert = PetscMax(bnk->pert, -e_min); } } else { /* Increase the perturbation */ bnk->pert = PetscMin(bnk->pmax, PetscMax(bnk->pgfac * bnk->pert, bnk->pmgfac * bnk->gnorm)); } if (BNK_PC_BFGS != bnk->pc_type) { /* We don't have the bfgs matrix around and updated Must use gradient direction in this case */ ierr = VecCopy(tao->gradient, tao->stepdirection);CHKERRQ(ierr); *stepType = BNK_GRADIENT; } else { /* Attempt to use the BFGS direction */ ierr = MatLMVMSetInactive(bnk->M, NULL);CHKERRQ(ierr); ierr = MatLMVMSolve(bnk->M, bnk->unprojected_gradient, tao->stepdirection);CHKERRQ(ierr); /* Check for success (descent direction) NOTE: Negative gdx here means not a descent direction because the fall-back step is missing a negative sign. */ ierr = VecDot(tao->gradient, tao->stepdirection, &gdx);CHKERRQ(ierr); if ((gdx <= 0.0) || PetscIsInfOrNanReal(gdx)) { /* BFGS direction is not descent or direction produced not a number We can assert bfgsUpdates > 1 in this case because the first solve produces the scaled gradient direction, which is guaranteed to be descent */ /* Use steepest descent direction (scaled) */ delta = 2.0 * PetscMax(1.0, PetscAbsScalar(bnk->f)) / (bnk->gnorm*bnk->gnorm); ierr = MatLMVMSetDelta(bnk->M, delta);CHKERRQ(ierr); ierr = MatLMVMReset(bnk->M);CHKERRQ(ierr); ierr = MatLMVMUpdate(bnk->M, tao->solution, bnk->unprojected_gradient);CHKERRQ(ierr); ierr = MatLMVMSolve(bnk->M, bnk->unprojected_gradient, tao->stepdirection);CHKERRQ(ierr); *stepType = BNK_SCALED_GRADIENT; } else { ierr = MatLMVMGetUpdates(bnk->M, &bfgsUpdates);CHKERRQ(ierr); if (1 == bfgsUpdates) { /* The first BFGS direction is always the scaled gradient */ *stepType = BNK_SCALED_GRADIENT; } else { *stepType = BNK_BFGS; } } } /* Make sure the safeguarded fall-back step is zero for actively bounded variables */ ierr = VecScale(tao->stepdirection, -1.0);CHKERRQ(ierr); ierr = TaoBNKBoundStep(tao, bnk->as_type, tao->stepdirection);CHKERRQ(ierr); } else { /* Computed Newton step is descent */ switch (ksp_reason) { case KSP_DIVERGED_NANORINF: case KSP_DIVERGED_BREAKDOWN: case KSP_DIVERGED_INDEFINITE_MAT: case KSP_DIVERGED_INDEFINITE_PC: case KSP_CONVERGED_CG_NEG_CURVE: /* Matrix or preconditioner is indefinite; increase perturbation */ if (bnk->pert <= 0.0) { /* Initialize the perturbation */ bnk->pert = PetscMin(bnk->imax, PetscMax(bnk->imin, bnk->imfac * bnk->gnorm)); if (bnk->is_gltr) { ierr = KSPCGGLTRGetMinEig(tao->ksp, &e_min);CHKERRQ(ierr); bnk->pert = PetscMax(bnk->pert, -e_min); } } else { /* Increase the perturbation */ bnk->pert = PetscMin(bnk->pmax, PetscMax(bnk->pgfac * bnk->pert, bnk->pmgfac * bnk->gnorm)); } break; default: /* Newton step computation is good; decrease perturbation */ bnk->pert = PetscMin(bnk->psfac * bnk->pert, bnk->pmsfac * bnk->gnorm); if (bnk->pert < bnk->pmin) { bnk->pert = 0.0; } break; } *stepType = BNK_NEWTON; } PetscFunctionReturn(0); } /*------------------------------------------------------------*/ /* Routine for performing a bound-projected More-Thuente line search. Includes fallbacks to BFGS, scaled gradient, and unscaled gradient steps if the Newton step does not produce a valid step length. */ PetscErrorCode TaoBNKPerformLineSearch(Tao tao, PetscInt *stepType, PetscReal *steplen, TaoLineSearchConvergedReason *reason) { TAO_BNK *bnk = (TAO_BNK *)tao->data; PetscErrorCode ierr; TaoLineSearchConvergedReason ls_reason; PetscReal e_min, gdx, delta; PetscInt bfgsUpdates; PetscFunctionBegin; /* Perform the linesearch */ ierr = TaoLineSearchApply(tao->linesearch, tao->solution, &bnk->f, bnk->unprojected_gradient, tao->stepdirection, steplen, &ls_reason);CHKERRQ(ierr); ierr = TaoAddLineSearchCounts(tao);CHKERRQ(ierr); while (ls_reason != TAOLINESEARCH_SUCCESS && ls_reason != TAOLINESEARCH_SUCCESS_USER && *stepType != BNK_GRADIENT) { /* Linesearch failed, revert solution */ bnk->f = bnk->fold; ierr = VecCopy(bnk->Xold, tao->solution);CHKERRQ(ierr); ierr = VecCopy(bnk->unprojected_gradient_old, bnk->unprojected_gradient);CHKERRQ(ierr); switch(*stepType) { case BNK_NEWTON: /* Failed to obtain acceptable iterate with Newton step Update the perturbation for next time */ if (bnk->pert <= 0.0) { /* Initialize the perturbation */ bnk->pert = PetscMin(bnk->imax, PetscMax(bnk->imin, bnk->imfac * bnk->gnorm)); if (bnk->is_gltr) { ierr = KSPCGGLTRGetMinEig(tao->ksp,&e_min);CHKERRQ(ierr); bnk->pert = PetscMax(bnk->pert, -e_min); } } else { /* Increase the perturbation */ bnk->pert = PetscMin(bnk->pmax, PetscMax(bnk->pgfac * bnk->pert, bnk->pmgfac * bnk->gnorm)); } if (BNK_PC_BFGS != bnk->pc_type) { /* We don't have the bfgs matrix around and being updated Must use gradient direction in this case */ ierr = VecCopy(bnk->unprojected_gradient, tao->stepdirection);CHKERRQ(ierr); *stepType = BNK_GRADIENT; } else { /* Attempt to use the BFGS direction */ ierr = MatLMVMSetInactive(bnk->M, NULL);CHKERRQ(ierr); ierr = MatLMVMSolve(bnk->M, bnk->unprojected_gradient, tao->stepdirection);CHKERRQ(ierr); /* Check for success (descent direction) NOTE: Negative gdx means not a descent direction because the step here is missing a negative sign. */ ierr = VecDot(tao->gradient, tao->stepdirection, &gdx);CHKERRQ(ierr); if ((gdx <= 0.0) || PetscIsInfOrNanReal(gdx)) { /* BFGS direction is not descent or direction produced not a number We can assert bfgsUpdates > 1 in this case Use steepest descent direction (scaled) */ delta = 2.0 * PetscMax(1.0, PetscAbsScalar(bnk->f)) / (bnk->gnorm*bnk->gnorm); ierr = MatLMVMSetDelta(bnk->M, delta);CHKERRQ(ierr); ierr = MatLMVMReset(bnk->M);CHKERRQ(ierr); ierr = MatLMVMUpdate(bnk->M, tao->solution, bnk->unprojected_gradient);CHKERRQ(ierr); ierr = MatLMVMSolve(bnk->M, bnk->unprojected_gradient, tao->stepdirection);CHKERRQ(ierr); bfgsUpdates = 1; *stepType = BNK_SCALED_GRADIENT; } else { ierr = MatLMVMGetUpdates(bnk->M, &bfgsUpdates);CHKERRQ(ierr); if (1 == bfgsUpdates) { /* The first BFGS direction is always the scaled gradient */ *stepType = BNK_SCALED_GRADIENT; } else { *stepType = BNK_BFGS; } } } break; case BNK_BFGS: /* Can only enter if pc_type == BNK_PC_BFGS Failed to obtain acceptable iterate with BFGS step Attempt to use the scaled gradient direction */ delta = 2.0 * PetscMax(1.0, PetscAbsScalar(bnk->f)) / (bnk->gnorm*bnk->gnorm); ierr = MatLMVMSetDelta(bnk->M, delta);CHKERRQ(ierr); ierr = MatLMVMReset(bnk->M);CHKERRQ(ierr); ierr = MatLMVMUpdate(bnk->M, tao->solution, bnk->unprojected_gradient);CHKERRQ(ierr); ierr = MatLMVMSetInactive(bnk->M, NULL);CHKERRQ(ierr); ierr = MatLMVMSolve(bnk->M, bnk->unprojected_gradient, tao->stepdirection);CHKERRQ(ierr); bfgsUpdates = 1; *stepType = BNK_SCALED_GRADIENT; break; case BNK_SCALED_GRADIENT: /* Can only enter if pc_type == BNK_PC_BFGS The scaled gradient step did not produce a new iterate; reset the BFGS matrix and attemp to use the gradient direction. */ ierr = MatLMVMSetScale(bnk->M,0);CHKERRQ(ierr); ierr = MatLMVMSetDelta(bnk->M,1.0);CHKERRQ(ierr); ierr = MatLMVMReset(bnk->M);CHKERRQ(ierr); ierr = MatLMVMUpdate(bnk->M, tao->solution, bnk->unprojected_gradient);CHKERRQ(ierr); ierr = VecCopy(bnk->unprojected_gradient, tao->stepdirection);CHKERRQ(ierr); bfgsUpdates = 1; *stepType = BNK_GRADIENT; break; } /* Make sure the safeguarded fall-back step is zero for actively bounded variables */ ierr = VecScale(tao->stepdirection, -1.0);CHKERRQ(ierr); ierr = TaoBNKBoundStep(tao, bnk->as_type, tao->stepdirection);CHKERRQ(ierr); /* Perform one last line search with the fall-back step */ ierr = TaoLineSearchApply(tao->linesearch, tao->solution, &bnk->f, bnk->unprojected_gradient, tao->stepdirection, steplen, &ls_reason);CHKERRQ(ierr); ierr = TaoAddLineSearchCounts(tao);CHKERRQ(ierr); } *reason = ls_reason; PetscFunctionReturn(0); } /*------------------------------------------------------------*/ /* Routine for updating the trust radius. Function features three different update methods: 1) Line-search step length based 2) Predicted decrease on the CG quadratic model 3) Interpolation */ PetscErrorCode TaoBNKUpdateTrustRadius(Tao tao, PetscReal prered, PetscReal actred, PetscInt updateType, PetscInt stepType, PetscBool *accept) { TAO_BNK *bnk = (TAO_BNK *)tao->data; PetscErrorCode ierr; PetscReal step, kappa; PetscReal gdx, tau_1, tau_2, tau_min, tau_max; PetscFunctionBegin; /* Update trust region radius */ *accept = PETSC_FALSE; switch(updateType) { case BNK_UPDATE_STEP: *accept = PETSC_TRUE; /* always accept here because line search succeeded */ if (stepType == BNK_NEWTON) { ierr = TaoLineSearchGetStepLength(tao->linesearch, &step);CHKERRQ(ierr); if (step < bnk->nu1) { /* Very bad step taken; reduce radius */ tao->trust = bnk->omega1 * PetscMin(bnk->dnorm, tao->trust); } else if (step < bnk->nu2) { /* Reasonably bad step taken; reduce radius */ tao->trust = bnk->omega2 * PetscMin(bnk->dnorm, tao->trust); } else if (step < bnk->nu3) { /* Reasonable step was taken; leave radius alone */ if (bnk->omega3 < 1.0) { tao->trust = bnk->omega3 * PetscMin(bnk->dnorm, tao->trust); } else if (bnk->omega3 > 1.0) { tao->trust = PetscMax(bnk->omega3 * bnk->dnorm, tao->trust); } } else if (step < bnk->nu4) { /* Full step taken; increase the radius */ tao->trust = PetscMax(bnk->omega4 * bnk->dnorm, tao->trust); } else { /* More than full step taken; increase the radius */ tao->trust = PetscMax(bnk->omega5 * bnk->dnorm, tao->trust); } } else { /* Newton step was not good; reduce the radius */ tao->trust = bnk->omega1 * PetscMin(bnk->dnorm, tao->trust); } break; case BNK_UPDATE_REDUCTION: if (stepType == BNK_NEWTON) { if (prered < 0.0) { /* The predicted reduction has the wrong sign. This cannot happen in infinite precision arithmetic. Step should be rejected! */ tao->trust = bnk->alpha1 * PetscMin(tao->trust, bnk->dnorm); } else { if (PetscIsInfOrNanReal(actred)) { tao->trust = bnk->alpha1 * PetscMin(tao->trust, bnk->dnorm); } else { if ((PetscAbsScalar(actred) <= PetscMax(1.0, PetscAbsScalar(bnk->f))*bnk->epsilon) && (PetscAbsScalar(prered) <= PetscMax(1.0, PetscAbsScalar(bnk->f))*bnk->epsilon)) { kappa = 1.0; } else { kappa = actred / prered; } /* Accept or reject the step and update radius */ if (kappa < bnk->eta1) { /* Reject the step */ tao->trust = bnk->alpha1 * PetscMin(tao->trust, bnk->dnorm); } else { /* Accept the step */ *accept = PETSC_TRUE; /* Update the trust region radius only if the computed step is at the trust radius boundary */ if (bnk->dnorm == tao->trust) { if (kappa < bnk->eta2) { /* Marginal bad step */ tao->trust = bnk->alpha2 * tao->trust; } else if (kappa < bnk->eta3) { /* Reasonable step */ tao->trust = bnk->alpha3 * tao->trust; } else if (kappa < bnk->eta4) { /* Good step */ tao->trust = bnk->alpha4 * tao->trust; } else { /* Very good step */ tao->trust = bnk->alpha5 * tao->trust; } } } } } } else { /* Newton step was not good; reduce the radius */ tao->trust = bnk->alpha1 * PetscMin(bnk->dnorm, tao->trust); } break; default: if (stepType == BNK_NEWTON) { if (prered < 0.0) { /* The predicted reduction has the wrong sign. This cannot */ /* happen in infinite precision arithmetic. Step should */ /* be rejected! */ tao->trust = bnk->gamma1 * PetscMin(tao->trust, bnk->dnorm); } else { if (PetscIsInfOrNanReal(actred)) { tao->trust = bnk->gamma1 * PetscMin(tao->trust, bnk->dnorm); } else { if ((PetscAbsScalar(actred) <= bnk->epsilon) && (PetscAbsScalar(prered) <= bnk->epsilon)) { kappa = 1.0; } else { kappa = actred / prered; } ierr = VecDot(tao->gradient, tao->stepdirection, &gdx);CHKERRQ(ierr); tau_1 = bnk->theta * gdx / (bnk->theta * gdx - (1.0 - bnk->theta) * prered + actred); tau_2 = bnk->theta * gdx / (bnk->theta * gdx + (1.0 + bnk->theta) * prered - actred); tau_min = PetscMin(tau_1, tau_2); tau_max = PetscMax(tau_1, tau_2); if (kappa >= 1.0 - bnk->mu1) { /* Great agreement */ *accept = PETSC_TRUE; if (tau_max < 1.0) { tao->trust = PetscMax(tao->trust, bnk->gamma3 * bnk->dnorm); } else if (tau_max > bnk->gamma4) { tao->trust = PetscMax(tao->trust, bnk->gamma4 * bnk->dnorm); } else { tao->trust = PetscMax(tao->trust, tau_max * bnk->dnorm); } } else if (kappa >= 1.0 - bnk->mu2) { /* Good agreement */ *accept = PETSC_TRUE; if (tau_max < bnk->gamma2) { tao->trust = bnk->gamma2 * PetscMin(tao->trust, bnk->dnorm); } else if (tau_max > bnk->gamma3) { tao->trust = PetscMax(tao->trust, bnk->gamma3 * bnk->dnorm); } else if (tau_max < 1.0) { tao->trust = tau_max * PetscMin(tao->trust, bnk->dnorm); } else { tao->trust = PetscMax(tao->trust, tau_max * bnk->dnorm); } } else { /* Not good agreement */ if (tau_min > 1.0) { tao->trust = bnk->gamma2 * PetscMin(tao->trust, bnk->dnorm); } else if (tau_max < bnk->gamma1) { tao->trust = bnk->gamma1 * PetscMin(tao->trust, bnk->dnorm); } else if ((tau_min < bnk->gamma1) && (tau_max >= 1.0)) { tao->trust = bnk->gamma1 * PetscMin(tao->trust, bnk->dnorm); } else if ((tau_1 >= bnk->gamma1) && (tau_1 < 1.0) && ((tau_2 < bnk->gamma1) || (tau_2 >= 1.0))) { tao->trust = tau_1 * PetscMin(tao->trust, bnk->dnorm); } else if ((tau_2 >= bnk->gamma1) && (tau_2 < 1.0) && ((tau_1 < bnk->gamma1) || (tau_2 >= 1.0))) { tao->trust = tau_2 * PetscMin(tao->trust, bnk->dnorm); } else { tao->trust = tau_max * PetscMin(tao->trust, bnk->dnorm); } } } } } else { /* Newton step was not good; reduce the radius */ tao->trust = bnk->gamma1 * PetscMin(bnk->dnorm, tao->trust); } break; } /* Make sure the radius does not violate min and max settings */ tao->trust = PetscMin(tao->trust, bnk->max_radius); tao->trust = PetscMax(tao->trust, bnk->min_radius); PetscFunctionReturn(0); } /* ---------------------------------------------------------- */ PetscErrorCode TaoBNKAddStepCounts(Tao tao, PetscInt stepType) { TAO_BNK *bnk = (TAO_BNK *)tao->data; PetscFunctionBegin; switch (stepType) { case BNK_NEWTON: ++bnk->newt; break; case BNK_BFGS: ++bnk->bfgs; break; case BNK_SCALED_GRADIENT: ++bnk->sgrad; break; case BNK_GRADIENT: ++bnk->grad; break; default: break; } PetscFunctionReturn(0); } /* ---------------------------------------------------------- */ PetscErrorCode TaoSetUp_BNK(Tao tao) { TAO_BNK *bnk = (TAO_BNK *)tao->data; PetscErrorCode ierr; KSPType ksp_type; PetscInt i; PetscFunctionBegin; if (!tao->gradient) { ierr = VecDuplicate(tao->solution,&tao->gradient);CHKERRQ(ierr); } if (!tao->stepdirection) { ierr = VecDuplicate(tao->solution,&tao->stepdirection);CHKERRQ(ierr); } if (!bnk->W) { ierr = VecDuplicate(tao->solution,&bnk->W);CHKERRQ(ierr); } if (!bnk->Xold) { ierr = VecDuplicate(tao->solution,&bnk->Xold);CHKERRQ(ierr); } if (!bnk->Gold) { ierr = VecDuplicate(tao->solution,&bnk->Gold);CHKERRQ(ierr); } if (!bnk->Xwork) { ierr = VecDuplicate(tao->solution,&bnk->Xwork);CHKERRQ(ierr); } if (!bnk->Gwork) { ierr = VecDuplicate(tao->solution,&bnk->Gwork);CHKERRQ(ierr); } if (!bnk->unprojected_gradient) { ierr = VecDuplicate(tao->solution,&bnk->unprojected_gradient);CHKERRQ(ierr); } if (!bnk->unprojected_gradient_old) { ierr = VecDuplicate(tao->solution,&bnk->unprojected_gradient_old);CHKERRQ(ierr); } if (!bnk->Diag_min) { ierr = VecDuplicate(tao->solution,&bnk->Diag_min);CHKERRQ(ierr); } if (!bnk->Diag_max) { ierr = VecDuplicate(tao->solution,&bnk->Diag_max);CHKERRQ(ierr); } if (bnk->max_cg_its > 0) { /* Ensure that the important common vectors are shared between BNK and embedded BNCG */ bnk->bncg_ctx = (TAO_BNCG *)bnk->bncg->data; ierr = PetscObjectReference((PetscObject)(bnk->unprojected_gradient_old));CHKERRQ(ierr); ierr = VecDestroy(&bnk->bncg_ctx->unprojected_gradient_old);CHKERRQ(ierr); bnk->bncg_ctx->unprojected_gradient_old = bnk->unprojected_gradient_old; ierr = PetscObjectReference((PetscObject)(bnk->unprojected_gradient));CHKERRQ(ierr); ierr = VecDestroy(&bnk->bncg_ctx->unprojected_gradient);CHKERRQ(ierr); bnk->bncg_ctx->unprojected_gradient = bnk->unprojected_gradient; ierr = PetscObjectReference((PetscObject)(bnk->Gold));CHKERRQ(ierr); ierr = VecDestroy(&bnk->bncg_ctx->G_old);CHKERRQ(ierr); bnk->bncg_ctx->G_old = bnk->Gold; ierr = PetscObjectReference((PetscObject)(tao->gradient));CHKERRQ(ierr); ierr = VecDestroy(&bnk->bncg->gradient);CHKERRQ(ierr); bnk->bncg->gradient = tao->gradient; ierr = PetscObjectReference((PetscObject)(tao->stepdirection));CHKERRQ(ierr); ierr = VecDestroy(&bnk->bncg->stepdirection);CHKERRQ(ierr); bnk->bncg->stepdirection = tao->stepdirection; ierr = TaoSetInitialVector(bnk->bncg, tao->solution);CHKERRQ(ierr); /* Copy over some settings from BNK into BNCG */ ierr = TaoSetMaximumIterations(bnk->bncg, bnk->max_cg_its);CHKERRQ(ierr); ierr = TaoSetTolerances(bnk->bncg, tao->gatol, tao->grtol, tao->gttol);CHKERRQ(ierr); ierr = TaoSetFunctionLowerBound(bnk->bncg, tao->fmin);CHKERRQ(ierr); ierr = TaoSetConvergenceTest(bnk->bncg, tao->ops->convergencetest, tao->cnvP);CHKERRQ(ierr); ierr = TaoSetObjectiveRoutine(bnk->bncg, tao->ops->computeobjective, tao->user_objP);CHKERRQ(ierr); ierr = TaoSetGradientRoutine(bnk->bncg, tao->ops->computegradient, tao->user_gradP);CHKERRQ(ierr); ierr = TaoSetObjectiveAndGradientRoutine(bnk->bncg, tao->ops->computeobjectiveandgradient, tao->user_objgradP);CHKERRQ(ierr); ierr = PetscObjectCopyFortranFunctionPointers((PetscObject)tao, (PetscObject)(bnk->bncg));CHKERRQ(ierr); for (i=0; inumbermonitors; ++i) { ierr = TaoSetMonitor(bnk->bncg, tao->monitor[i], tao->monitorcontext[i], tao->monitordestroy[i]);CHKERRQ(ierr); ierr = PetscObjectReference((PetscObject)(tao->monitorcontext[i]));CHKERRQ(ierr); } } bnk->Diag = 0; bnk->Diag_red = 0; bnk->X_inactive = 0; bnk->G_inactive = 0; bnk->inactive_work = 0; bnk->active_work = 0; bnk->inactive_idx = 0; bnk->active_idx = 0; bnk->active_lower = 0; bnk->active_upper = 0; bnk->active_fixed = 0; bnk->M = 0; bnk->H_inactive = 0; bnk->Hpre_inactive = 0; ierr = KSPGetType(tao->ksp,&ksp_type);CHKERRQ(ierr); ierr = PetscStrcmp(ksp_type,KSPCGNASH,&bnk->is_nash);CHKERRQ(ierr); ierr = PetscStrcmp(ksp_type,KSPCGSTCG,&bnk->is_stcg);CHKERRQ(ierr); ierr = PetscStrcmp(ksp_type,KSPCGGLTR,&bnk->is_gltr);CHKERRQ(ierr); PetscFunctionReturn(0); } /*------------------------------------------------------------*/ static PetscErrorCode TaoDestroy_BNK(Tao tao) { TAO_BNK *bnk = (TAO_BNK *)tao->data; PetscErrorCode ierr; PetscFunctionBegin; if (tao->setupcalled) { ierr = VecDestroy(&bnk->W);CHKERRQ(ierr); ierr = VecDestroy(&bnk->Xold);CHKERRQ(ierr); ierr = VecDestroy(&bnk->Gold);CHKERRQ(ierr); ierr = VecDestroy(&bnk->Xwork);CHKERRQ(ierr); ierr = VecDestroy(&bnk->Gwork);CHKERRQ(ierr); ierr = VecDestroy(&bnk->unprojected_gradient);CHKERRQ(ierr); ierr = VecDestroy(&bnk->unprojected_gradient_old);CHKERRQ(ierr); ierr = VecDestroy(&bnk->Diag_min);CHKERRQ(ierr); ierr = VecDestroy(&bnk->Diag_max);CHKERRQ(ierr); } ierr = ISDestroy(&bnk->active_lower);CHKERRQ(ierr); ierr = ISDestroy(&bnk->active_upper);CHKERRQ(ierr); ierr = ISDestroy(&bnk->active_fixed);CHKERRQ(ierr); ierr = ISDestroy(&bnk->active_idx);CHKERRQ(ierr); ierr = ISDestroy(&bnk->inactive_idx);CHKERRQ(ierr); ierr = VecDestroy(&bnk->Diag);CHKERRQ(ierr); ierr = MatDestroy(&bnk->M);CHKERRQ(ierr); if (bnk->Hpre_inactive != tao->hessian_pre && bnk->Hpre_inactive != bnk->H_inactive) { ierr = MatDestroy(&bnk->Hpre_inactive);CHKERRQ(ierr); } if (bnk->H_inactive != tao->hessian) { ierr = MatDestroy(&bnk->H_inactive);CHKERRQ(ierr); } if (bnk->max_cg_its > 0) { ierr = TaoDestroy(&bnk->bncg);CHKERRQ(ierr); } ierr = PetscFree(tao->data);CHKERRQ(ierr); PetscFunctionReturn(0); } /*------------------------------------------------------------*/ static PetscErrorCode TaoSetFromOptions_BNK(PetscOptionItems *PetscOptionsObject,Tao tao) { TAO_BNK *bnk = (TAO_BNK *)tao->data; PetscErrorCode ierr; PetscFunctionBegin; ierr = PetscOptionsHead(PetscOptionsObject,"Newton line search method for unconstrained optimization");CHKERRQ(ierr); ierr = PetscOptionsEList("-tao_bnk_pc_type", "pc type", "", BNK_PC, BNK_PC_TYPES, BNK_PC[bnk->pc_type], &bnk->pc_type, 0);CHKERRQ(ierr); ierr = PetscOptionsEList("-tao_bnk_bfgs_scale_type", "bfgs scale type", "", BFGS_SCALE, BFGS_SCALE_TYPES, BFGS_SCALE[bnk->bfgs_scale_type], &bnk->bfgs_scale_type, 0);CHKERRQ(ierr); ierr = PetscOptionsEList("-tao_bnk_init_type", "radius initialization type", "", BNK_INIT, BNK_INIT_TYPES, BNK_INIT[bnk->init_type], &bnk->init_type, 0);CHKERRQ(ierr); ierr = PetscOptionsEList("-tao_bnk_update_type", "radius update type", "", BNK_UPDATE, BNK_UPDATE_TYPES, BNK_UPDATE[bnk->update_type], &bnk->update_type, 0);CHKERRQ(ierr); ierr = PetscOptionsEList("-tao_bnk_as_type", "active set estimation method", "", BNK_AS, BNK_AS_TYPES, BNK_AS[bnk->as_type], &bnk->as_type, 0);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_sval", "perturbation starting value", "", bnk->sval, &bnk->sval,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_imin", "minimum initial perturbation", "", bnk->imin, &bnk->imin,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_imax", "maximum initial perturbation", "", bnk->imax, &bnk->imax,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_imfac", "initial merit factor", "", bnk->imfac, &bnk->imfac,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_pmin", "minimum perturbation", "", bnk->pmin, &bnk->pmin,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_pmax", "maximum perturbation", "", bnk->pmax, &bnk->pmax,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_pgfac", "growth factor", "", bnk->pgfac, &bnk->pgfac,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_psfac", "shrink factor", "", bnk->psfac, &bnk->psfac,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_pmgfac", "merit growth factor", "", bnk->pmgfac, &bnk->pmgfac,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_pmsfac", "merit shrink factor", "", bnk->pmsfac, &bnk->pmsfac,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_eta1", "poor steplength; reduce radius", "", bnk->eta1, &bnk->eta1,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_eta2", "reasonable steplength; leave radius alone", "", bnk->eta2, &bnk->eta2,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_eta3", "good steplength; increase radius", "", bnk->eta3, &bnk->eta3,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_eta4", "excellent steplength; greatly increase radius", "", bnk->eta4, &bnk->eta4,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_alpha1", "", "", bnk->alpha1, &bnk->alpha1,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_alpha2", "", "", bnk->alpha2, &bnk->alpha2,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_alpha3", "", "", bnk->alpha3, &bnk->alpha3,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_alpha4", "", "", bnk->alpha4, &bnk->alpha4,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_alpha5", "", "", bnk->alpha5, &bnk->alpha5,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_nu1", "poor steplength; reduce radius", "", bnk->nu1, &bnk->nu1,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_nu2", "reasonable steplength; leave radius alone", "", bnk->nu2, &bnk->nu2,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_nu3", "good steplength; increase radius", "", bnk->nu3, &bnk->nu3,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_nu4", "excellent steplength; greatly increase radius", "", bnk->nu4, &bnk->nu4,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_omega1", "", "", bnk->omega1, &bnk->omega1,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_omega2", "", "", bnk->omega2, &bnk->omega2,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_omega3", "", "", bnk->omega3, &bnk->omega3,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_omega4", "", "", bnk->omega4, &bnk->omega4,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_omega5", "", "", bnk->omega5, &bnk->omega5,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_mu1_i", "", "", bnk->mu1_i, &bnk->mu1_i,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_mu2_i", "", "", bnk->mu2_i, &bnk->mu2_i,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_gamma1_i", "", "", bnk->gamma1_i, &bnk->gamma1_i,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_gamma2_i", "", "", bnk->gamma2_i, &bnk->gamma2_i,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_gamma3_i", "", "", bnk->gamma3_i, &bnk->gamma3_i,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_gamma4_i", "", "", bnk->gamma4_i, &bnk->gamma4_i,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_theta_i", "", "", bnk->theta_i, &bnk->theta_i,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_mu1", "", "", bnk->mu1, &bnk->mu1,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_mu2", "", "", bnk->mu2, &bnk->mu2,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_gamma1", "", "", bnk->gamma1, &bnk->gamma1,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_gamma2", "", "", bnk->gamma2, &bnk->gamma2,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_gamma3", "", "", bnk->gamma3, &bnk->gamma3,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_gamma4", "", "", bnk->gamma4, &bnk->gamma4,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_theta", "", "", bnk->theta, &bnk->theta,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_min_radius", "lower bound on initial radius", "", bnk->min_radius, &bnk->min_radius,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_max_radius", "upper bound on radius", "", bnk->max_radius, &bnk->max_radius,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_epsilon", "tolerance used when computing actual and predicted reduction", "", bnk->epsilon, &bnk->epsilon,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_as_tol", "initial tolerance used when estimating actively bounded variables", "", bnk->as_tol, &bnk->as_tol,NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-tao_bnk_as_step", "step length used when estimating actively bounded variables", "", bnk->as_step, &bnk->as_step,NULL);CHKERRQ(ierr); ierr = PetscOptionsInt("-tao_bnk_max_cg_its", "number of BNCG iterations to take for each Newton step", "", bnk->max_cg_its, &bnk->max_cg_its,NULL);CHKERRQ(ierr); ierr = PetscOptionsTail();CHKERRQ(ierr); ierr = TaoSetFromOptions(bnk->bncg); ierr = TaoLineSearchSetFromOptions(tao->linesearch);CHKERRQ(ierr); ierr = KSPSetFromOptions(tao->ksp);CHKERRQ(ierr); PetscFunctionReturn(0); } /*------------------------------------------------------------*/ static PetscErrorCode TaoView_BNK(Tao tao, PetscViewer viewer) { TAO_BNK *bnk = (TAO_BNK *)tao->data; PetscInt nrejects; PetscBool isascii; PetscErrorCode ierr; PetscFunctionBegin; ierr = PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&isascii);CHKERRQ(ierr); if (isascii) { ierr = PetscViewerASCIIPushTab(viewer);CHKERRQ(ierr); if (BNK_PC_BFGS == bnk->pc_type && bnk->M) { ierr = MatLMVMGetRejects(bnk->M,&nrejects);CHKERRQ(ierr); ierr = PetscViewerASCIIPrintf(viewer, "Rejected matrix updates: %D\n",nrejects);CHKERRQ(ierr); } ierr = PetscViewerASCIIPrintf(viewer, "CG steps: %D\n", bnk->tot_cg_its);CHKERRQ(ierr); ierr = PetscViewerASCIIPrintf(viewer, "Newton steps: %D\n", bnk->newt);CHKERRQ(ierr); ierr = PetscViewerASCIIPrintf(viewer, "BFGS steps: %D\n", bnk->bfgs);CHKERRQ(ierr); ierr = PetscViewerASCIIPrintf(viewer, "Scaled gradient steps: %D\n", bnk->sgrad);CHKERRQ(ierr); ierr = PetscViewerASCIIPrintf(viewer, "Gradient steps: %D\n", bnk->grad);CHKERRQ(ierr); ierr = PetscViewerASCIIPrintf(viewer, "KSP termination reasons:\n");CHKERRQ(ierr); ierr = PetscViewerASCIIPrintf(viewer, " atol: %D\n", bnk->ksp_atol);CHKERRQ(ierr); ierr = PetscViewerASCIIPrintf(viewer, " rtol: %D\n", bnk->ksp_rtol);CHKERRQ(ierr); ierr = PetscViewerASCIIPrintf(viewer, " ctol: %D\n", bnk->ksp_ctol);CHKERRQ(ierr); ierr = PetscViewerASCIIPrintf(viewer, " negc: %D\n", bnk->ksp_negc);CHKERRQ(ierr); ierr = PetscViewerASCIIPrintf(viewer, " dtol: %D\n", bnk->ksp_dtol);CHKERRQ(ierr); ierr = PetscViewerASCIIPrintf(viewer, " iter: %D\n", bnk->ksp_iter);CHKERRQ(ierr); ierr = PetscViewerASCIIPrintf(viewer, " othr: %D\n", bnk->ksp_othr);CHKERRQ(ierr); ierr = PetscViewerASCIIPopTab(viewer);CHKERRQ(ierr); } PetscFunctionReturn(0); } /* ---------------------------------------------------------- */ /*MC TAOBNK - Shared base-type for Bounded Newton-Krylov type algorithms. At each iteration, the BNK methods solve the symmetric system of equations to obtain the step diretion dk: Hk dk = -gk for free variables only. The step can be globalized either through trust-region methods, or a line search, or a heuristic mixture of both. Options Database Keys: + -tao_bnk_pc_type - "none","ahess","bfgs","petsc" . -tao_bnk_bfgs_scale_type - "ahess","phess","bfgs" . -tao_bnk_init_type - "constant","direction","interpolation" . -tao_bnk_update_type - "step","direction","interpolation" . -tao_bnk_as_type - "none","bertsekas" . -tao_bnk_sval - perturbation starting value . -tao_bnk_imin - minimum initial perturbation . -tao_bnk_imax - maximum initial perturbation . -tao_bnk_pmin - minimum perturbation . -tao_bnk_pmax - maximum perturbation . -tao_bnk_pgfac - growth factor . -tao_bnk_psfac - shrink factor . -tao_bnk_imfac - initial merit factor . -tao_bnk_pmgfac - merit growth factor . -tao_bnk_pmsfac - merit shrink factor . -tao_bnk_eta1 - poor steplength; reduce radius . -tao_bnk_eta2 - reasonable steplength; leave radius . -tao_bnk_eta3 - good steplength; increase readius . -tao_bnk_eta4 - excellent steplength; greatly increase radius . -tao_bnk_alpha1 - alpha1 reduction . -tao_bnk_alpha2 - alpha2 reduction . -tao_bnk_alpha3 - alpha3 reduction . -tao_bnk_alpha4 - alpha4 reduction . -tao_bnk_alpha - alpha5 reduction . -tao_bnk_mu1 - mu1 interpolation update . -tao_bnk_mu2 - mu2 interpolation update . -tao_bnk_gamma1 - gamma1 interpolation update . -tao_bnk_gamma2 - gamma2 interpolation update . -tao_bnk_gamma3 - gamma3 interpolation update . -tao_bnk_gamma4 - gamma4 interpolation update . -tao_bnk_theta - theta interpolation update . -tao_bnk_omega1 - omega1 step update . -tao_bnk_omega2 - omega2 step update . -tao_bnk_omega3 - omega3 step update . -tao_bnk_omega4 - omega4 step update . -tao_bnk_omega5 - omega5 step update . -tao_bnk_mu1_i - mu1 interpolation init factor . -tao_bnk_mu2_i - mu2 interpolation init factor . -tao_bnk_gamma1_i - gamma1 interpolation init factor . -tao_bnk_gamma2_i - gamma2 interpolation init factor . -tao_bnk_gamma3_i - gamma3 interpolation init factor . -tao_bnk_gamma4_i - gamma4 interpolation init factor . -tao_bnk_theta_i - theta interpolation init factor - -tao_bnk_bound_tol - initial tolerance used in estimating bounded active variables Level: beginner M*/ PetscErrorCode TaoCreate_BNK(Tao tao) { TAO_BNK *bnk; const char *morethuente_type = TAOLINESEARCHMT; PetscErrorCode ierr; PetscFunctionBegin; ierr = PetscNewLog(tao,&bnk);CHKERRQ(ierr); tao->ops->setup = TaoSetUp_BNK; tao->ops->view = TaoView_BNK; tao->ops->setfromoptions = TaoSetFromOptions_BNK; tao->ops->destroy = TaoDestroy_BNK; /* Override default settings (unless already changed) */ if (!tao->max_it_changed) tao->max_it = 50; if (!tao->trust0_changed) tao->trust0 = 100.0; tao->data = (void*)bnk; /* Hessian shifting parameters */ bnk->sval = 0.0; bnk->imin = 1.0e-4; bnk->imax = 1.0e+2; bnk->imfac = 1.0e-1; bnk->pmin = 1.0e-12; bnk->pmax = 1.0e+2; bnk->pgfac = 1.0e+1; bnk->psfac = 4.0e-1; bnk->pmgfac = 1.0e-1; bnk->pmsfac = 1.0e-1; /* Default values for trust-region radius update based on steplength */ bnk->nu1 = 0.25; bnk->nu2 = 0.50; bnk->nu3 = 1.00; bnk->nu4 = 1.25; bnk->omega1 = 0.25; bnk->omega2 = 0.50; bnk->omega3 = 1.00; bnk->omega4 = 2.00; bnk->omega5 = 4.00; /* Default values for trust-region radius update based on reduction */ bnk->eta1 = 1.0e-4; bnk->eta2 = 0.25; bnk->eta3 = 0.50; bnk->eta4 = 0.90; bnk->alpha1 = 0.25; bnk->alpha2 = 0.50; bnk->alpha3 = 1.00; bnk->alpha4 = 2.00; bnk->alpha5 = 4.00; /* Default values for trust-region radius update based on interpolation */ bnk->mu1 = 0.10; bnk->mu2 = 0.50; bnk->gamma1 = 0.25; bnk->gamma2 = 0.50; bnk->gamma3 = 2.00; bnk->gamma4 = 4.00; bnk->theta = 0.05; /* Default values for trust region initialization based on interpolation */ bnk->mu1_i = 0.35; bnk->mu2_i = 0.50; bnk->gamma1_i = 0.0625; bnk->gamma2_i = 0.5; bnk->gamma3_i = 2.0; bnk->gamma4_i = 5.0; bnk->theta_i = 0.25; /* Remaining parameters */ bnk->max_cg_its = 0; bnk->min_radius = 1.0e-10; bnk->max_radius = 1.0e10; bnk->epsilon = PetscPowReal(PETSC_MACHINE_EPSILON, 2.0/3.0); bnk->as_tol = 1.0e-3; bnk->as_step = 1.0e-3; bnk->dmin = 1.0e-6; bnk->dmax = 1.0e6; bnk->pc_type = BNK_PC_AHESS; bnk->bfgs_scale_type = BFGS_SCALE_PHESS; bnk->init_type = BNK_INIT_INTERPOLATION; bnk->update_type = BNK_UPDATE_INTERPOLATION; bnk->as_type = BNK_AS_BERTSEKAS; /* Create the embedded BNCG solver */ ierr = TaoCreate(PetscObjectComm((PetscObject)tao), &bnk->bncg);CHKERRQ(ierr); ierr = PetscObjectIncrementTabLevel((PetscObject)bnk->bncg, (PetscObject)tao, 1);CHKERRQ(ierr); ierr = TaoSetOptionsPrefix(bnk->bncg, "tao_bnk_");CHKERRQ(ierr); ierr = TaoSetType(bnk->bncg, TAOBNCG);CHKERRQ(ierr); /* Create the line search */ ierr = TaoLineSearchCreate(((PetscObject)tao)->comm,&tao->linesearch);CHKERRQ(ierr); ierr = PetscObjectIncrementTabLevel((PetscObject)tao->linesearch, (PetscObject)tao, 1);CHKERRQ(ierr); ierr = TaoLineSearchSetOptionsPrefix(tao->linesearch,tao->hdr.prefix);CHKERRQ(ierr); ierr = TaoLineSearchSetType(tao->linesearch,morethuente_type);CHKERRQ(ierr); ierr = TaoLineSearchUseTaoRoutines(tao->linesearch,tao);CHKERRQ(ierr); /* Set linear solver to default for symmetric matrices */ ierr = KSPCreate(((PetscObject)tao)->comm,&tao->ksp);CHKERRQ(ierr); ierr = PetscObjectIncrementTabLevel((PetscObject)tao->ksp, (PetscObject)tao, 1);CHKERRQ(ierr); ierr = KSPSetOptionsPrefix(tao->ksp,tao->hdr.prefix);CHKERRQ(ierr); ierr = KSPSetType(tao->ksp,KSPCGSTCG);CHKERRQ(ierr); PetscFunctionReturn(0); }