#include <../src/tao/bound/impls/bnk/bnk.h> #include /* Implements Newton's Method with a trust region approach for solving bound constrained minimization problems. In this variant, the trust region failures trigger a line search with the existing Newton step instead of re-solving the step with a different radius. ------------------------------------------------------------ x_0 = VecMedian(x_0) f_0, g_0 = TaoComputeObjectiveAndGradient(x_0) pg_0 = project(g_0) check convergence at pg_0 needH = TaoBNKInitialize(default:BNK_INIT_INTERPOLATION) niter = 0 step_accepted = true while niter <= max_it niter += 1 if needH If max_cg_steps > 0 x_k, g_k, pg_k = TaoSolve(BNCG) end H_k = TaoComputeHessian(x_k) if pc_type == BNK_PC_BFGS add correction to BFGS approx if scale_type == BNK_SCALE_AHESS D = VecMedian(1e-6, abs(diag(H_k)), 1e6) scale BFGS with VecReciprocal(D) end end needH = False end if pc_type = BNK_PC_BFGS B_k = BFGS else B_k = VecMedian(1e-6, abs(diag(H_k)), 1e6) B_k = VecReciprocal(B_k) end w = x_k - VecMedian(x_k - 0.001*B_k*g_k) eps = min(eps, norm2(w)) determine the active and inactive index sets such that L = {i : (x_k)_i <= l_i + eps && (g_k)_i > 0} U = {i : (x_k)_i >= u_i - eps && (g_k)_i < 0} F = {i : l_i = (x_k)_i = u_i} A = {L + U + F} IA = {i : i not in A} generate the reduced system Hr_k dr_k = -gr_k for variables in IA if pc_type == BNK_PC_BFGS && scale_type == BNK_SCALE_PHESS D = VecMedian(1e-6, abs(diag(Hr_k)), 1e6) scale BFGS with VecReciprocal(D) end solve Hr_k dr_k = -gr_k set d_k to (l - x) for variables in L, (u - x) for variables in U, and 0 for variables in F x_{k+1} = VecMedian(x_k + d_k) s = x_{k+1} - x_k prered = dot(s, 0.5*gr_k - Hr_k*s) f_{k+1} = TaoComputeObjective(x_{k+1}) actred = f_k - f_{k+1} oldTrust = trust step_accepted, trust = TaoBNKUpdateTrustRadius(default: BNK_UPDATE_REDUCTION) if step_accepted g_{k+1} = TaoComputeGradient(x_{k+1}) pg_{k+1} = project(g_{k+1}) count the accepted Newton step else if dot(d_k, pg_k)) >= 0 || norm(d_k) == NaN || norm(d_k) == Inf dr_k = -BFGS*gr_k for variables in I if dot(d_k, pg_k)) >= 0 || norm(d_k) == NaN || norm(d_k) == Inf reset the BFGS preconditioner calculate scale delta and apply it to BFGS dr_k = -BFGS*gr_k for variables in I if dot(d_k, pg_k)) >= 0 || norm(d_k) == NaN || norm(d_k) == Inf dr_k = -gr_k for variables in I end end end x_{k+1}, f_{k+1}, g_{k+1}, ls_failed = TaoBNKPerformLineSearch() if ls_failed f_{k+1} = f_k x_{k+1} = x_k g_{k+1} = g_k pg_{k+1} = pg_k terminate else pg_{k+1} = project(g_{k+1}) trust = oldTrust trust = TaoBNKUpdateTrustRadius(BNK_UPDATE_STEP) count the accepted step type (Newton, BFGS, scaled grad or grad) end end check convergence at pg_{k+1} end */ PetscErrorCode TaoSolve_BNTL(Tao tao) { PetscErrorCode ierr; TAO_BNK *bnk = (TAO_BNK *)tao->data; KSPConvergedReason ksp_reason; TaoLineSearchConvergedReason ls_reason; PetscReal oldTrust, prered, actred, steplen, resnorm; PetscBool cgTerminate, needH = PETSC_TRUE, stepAccepted, shift = PETSC_FALSE; PetscInt stepType, nDiff; PetscFunctionBegin; /* Initialize the preconditioner, KSP solver and trust radius/line search */ tao->reason = TAO_CONTINUE_ITERATING; ierr = TaoBNKInitialize(tao, bnk->init_type, &needH);CHKERRQ(ierr); if (tao->reason != TAO_CONTINUE_ITERATING) PetscFunctionReturn(0); /* Have not converged; continue with Newton method */ while (tao->reason == TAO_CONTINUE_ITERATING) { ++tao->niter; if (needH && bnk->inactive_idx) { /* Take BNCG steps (if enabled) to trade-off Hessian evaluations for more gradient evaluations */ ierr = TaoBNKTakeCGSteps(tao, &cgTerminate);CHKERRQ(ierr); if (cgTerminate) { tao->reason = bnk->bncg->reason; PetscFunctionReturn(0); } /* Compute the hessian and update the BFGS preconditioner at the new iterate */ ierr = (*bnk->computehessian)(tao);CHKERRQ(ierr); needH = PETSC_FALSE; } /* Use the common BNK kernel to compute the Newton step (for inactive variables only) */ ierr = (*bnk->computestep)(tao, shift, &ksp_reason, &stepType);CHKERRQ(ierr); /* Store current solution before it changes */ oldTrust = tao->trust; bnk->fold = bnk->f; ierr = VecCopy(tao->solution, bnk->Xold);CHKERRQ(ierr); ierr = VecCopy(tao->gradient, bnk->Gold);CHKERRQ(ierr); ierr = VecCopy(bnk->unprojected_gradient, bnk->unprojected_gradient_old);CHKERRQ(ierr); /* Temporarily accept the step and project it into the bounds */ ierr = VecAXPY(tao->solution, 1.0, tao->stepdirection);CHKERRQ(ierr); ierr = TaoBoundSolution(tao->solution, tao->XL,tao->XU, 0.0, &nDiff, tao->solution);CHKERRQ(ierr); /* Check if the projection changed the step direction */ if (nDiff > 0) { /* Projection changed the step, so we have to recompute the step and the predicted reduction. Leave the trust radius unchanged. */ ierr = VecCopy(tao->solution, tao->stepdirection);CHKERRQ(ierr); ierr = VecAXPY(tao->stepdirection, -1.0, bnk->Xold);CHKERRQ(ierr); ierr = TaoBNKRecomputePred(tao, tao->stepdirection, &prered);CHKERRQ(ierr); } else { /* Step did not change, so we can just recover the pre-computed prediction */ ierr = KSPCGGetObjFcn(tao->ksp, &prered);CHKERRQ(ierr); } prered = -prered; /* Compute the actual reduction and update the trust radius */ ierr = TaoComputeObjective(tao, tao->solution, &bnk->f);CHKERRQ(ierr); if (PetscIsInfOrNanReal(bnk->f)) SETERRQ(PETSC_COMM_SELF,1, "User provided compute function generated Inf or NaN"); actred = bnk->fold - bnk->f; ierr = TaoBNKUpdateTrustRadius(tao, prered, actred, bnk->update_type, stepType, &stepAccepted);CHKERRQ(ierr); if (stepAccepted) { /* Step is good, evaluate the gradient and the hessian */ steplen = 1.0; needH = PETSC_TRUE; ++bnk->newt; 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); ierr = TaoGradientNorm(tao, tao->gradient, NORM_2, &bnk->gnorm);CHKERRQ(ierr); } else { /* Trust-region rejected the step. Revert the solution. */ bnk->f = bnk->fold; ierr = VecCopy(bnk->Xold, tao->solution);CHKERRQ(ierr); /* Trigger the line search */ ierr = TaoBNKSafeguardStep(tao, ksp_reason, &stepType);CHKERRQ(ierr); ierr = TaoBNKPerformLineSearch(tao, &stepType, &steplen, &ls_reason);CHKERRQ(ierr); if (ls_reason != TAOLINESEARCH_SUCCESS && ls_reason != TAOLINESEARCH_SUCCESS_USER) { /* Line search failed, revert solution and terminate */ stepAccepted = PETSC_FALSE; needH = PETSC_FALSE; bnk->f = bnk->fold; ierr = VecCopy(bnk->Xold, tao->solution);CHKERRQ(ierr); ierr = VecCopy(bnk->Gold, tao->gradient);CHKERRQ(ierr); ierr = VecCopy(bnk->unprojected_gradient_old, bnk->unprojected_gradient);CHKERRQ(ierr); tao->trust = 0.0; tao->reason = TAO_DIVERGED_LS_FAILURE; } else { /* new iterate so we need to recompute the Hessian */ needH = PETSC_TRUE; /* compute the projected gradient */ 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 = TaoGradientNorm(tao, tao->gradient, NORM_2, &bnk->gnorm);CHKERRQ(ierr); /* Line search succeeded so we should update the trust radius based on the LS step length */ tao->trust = oldTrust; ierr = TaoBNKUpdateTrustRadius(tao, prered, actred, BNK_UPDATE_STEP, stepType, &stepAccepted);CHKERRQ(ierr); /* count the accepted step type */ ierr = TaoBNKAddStepCounts(tao, stepType);CHKERRQ(ierr); } } /* Check for termination */ 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, steplen);CHKERRQ(ierr); ierr = (*tao->ops->convergencetest)(tao, tao->cnvP);CHKERRQ(ierr); } PetscFunctionReturn(0); } /*------------------------------------------------------------*/ static PetscErrorCode TaoSetFromOptions_BNTL(PetscOptionItems *PetscOptionsObject,Tao tao) { TAO_BNK *bnk = (TAO_BNK *)tao->data; PetscErrorCode ierr; PetscFunctionBegin; ierr = TaoSetFromOptions_BNK(PetscOptionsObject, tao);CHKERRQ(ierr); if (bnk->update_type == BNK_UPDATE_STEP) bnk->update_type = BNK_UPDATE_REDUCTION; if (!bnk->is_nash && !bnk->is_stcg && !bnk->is_gltr) SETERRQ(PETSC_COMM_SELF,1,"Must use a trust-region CG method for KSP (KSPNASH, KSPSTCG, KSPGLTR)"); PetscFunctionReturn(0); } /*------------------------------------------------------------*/ PETSC_EXTERN PetscErrorCode TaoCreate_BNTL(Tao tao) { TAO_BNK *bnk; PetscErrorCode ierr; PetscFunctionBegin; ierr = TaoCreate_BNK(tao);CHKERRQ(ierr); tao->ops->solve=TaoSolve_BNTL; tao->ops->setfromoptions=TaoSetFromOptions_BNTL; bnk = (TAO_BNK *)tao->data; bnk->update_type = BNK_UPDATE_REDUCTION; /* trust region updates based on predicted/actual reduction */ PetscFunctionReturn(0); }