#include <../src/tao/bound/impls/bnk/bnk.h> #include /* Implements Newton's Method with a trust region approach for solving bound constrained minimization problems. ------------------------------------------------------------ initialize trust radius (default: BNK_INIT_INTERPOLATION) x_0 = VecMedian(x_0) f_0, g_0 = TaoComputeObjectiveAndGradient(x_0) pg_0 = VecBoundGradientProjection(g_0) check convergence at pg_0 niter = 0 step_accepted = true while niter <= max_it niter += 1 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 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} I = {i : i not in A} generate the reduced system Hr_k dr_k = -gr_k for variables in I 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} = VecBoundGradientProjection(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} = VecBoundGradientProjection(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 */ static PetscErrorCode TaoSolve_BNTL(Tao tao) { PetscErrorCode ierr; TAO_BNK *bnk = (TAO_BNK *)tao->data; KSPConvergedReason ksp_reason; TaoLineSearchConvergedReason ls_reason; PetscReal resnorm, oldTrust, prered, actred, stepNorm, steplen; PetscBool cgTerminate, stepAccepted = PETSC_TRUE, shift = PETSC_FALSE; PetscInt stepType; PetscFunctionBegin; /* Initialize the preconditioner, KSP solver and trust radius/line search */ tao->reason = TAO_CONTINUE_ITERATING; ierr = TaoBNKInitialize(tao, bnk->init_type, &stepAccepted);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++; tao->ksp_its=0; /* 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 */ if (stepAccepted) {ierr = TaoBNKComputeHessian(tao);CHKERRQ(ierr);} /* Use the common BNK kernel to compute the Newton step (for inactive variables only) */ ierr = TaoBNKComputeStep(tao, shift, &ksp_reason);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 = VecMedian(tao->XL, tao->solution, tao->XU, tao->solution);CHKERRQ(ierr); /* Check if the projection changed the step direction */ ierr = VecCopy(tao->solution, tao->stepdirection);CHKERRQ(ierr); ierr = VecAXPY(tao->stepdirection, -1.0, bnk->Xold);CHKERRQ(ierr); ierr = VecNorm(tao->stepdirection, NORM_2, &stepNorm);CHKERRQ(ierr); if (stepNorm != bnk->dnorm) { /* Projection changed the step, so we have to recompute predicted reduction. However, we deliberately do not change the step norm and the trust radius in order for the safeguard to more closely mimic a piece-wise linesearch along the bounds. */ 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); 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; ++bnk->newt; ierr = TaoComputeGradient(tao, tao->solution, bnk->unprojected_gradient);CHKERRQ(ierr); ierr = VecBoundGradientProjection(bnk->unprojected_gradient,tao->solution,tao->XL,tao->XU,tao->gradient);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; 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 { /* compute the projected gradient */ ierr = VecBoundGradientProjection(bnk->unprojected_gradient,tao->solution,tao->XL,tao->XU,tao->gradient);CHKERRQ(ierr); ierr = VecNorm(tao->gradient, NORM_2, &bnk->gnorm);CHKERRQ(ierr); if (PetscIsInfOrNanReal(bnk->gnorm)) SETERRQ(PETSC_COMM_SELF,1,"User provided compute function generated Not-a-Number"); /* 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->Gwork);CHKERRQ(ierr); ierr = VecNorm(bnk->Gwork, NORM_2, &resnorm);CHKERRQ(ierr); 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); } /*------------------------------------------------------------*/ PETSC_INTERN PetscErrorCode TaoSetUp_BNTL(Tao tao) { TAO_BNK *bnk = (TAO_BNK *)tao->data; PetscErrorCode ierr; PetscFunctionBegin; ierr = TaoSetUp_BNK(tao);CHKERRQ(ierr); 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_INTERN PetscErrorCode TaoCreate_BNTL(Tao tao) { TAO_BNK *bnk; PetscErrorCode ierr; PetscFunctionBegin; ierr = TaoCreate_BNK(tao);CHKERRQ(ierr); tao->ops->solve=TaoSolve_BNTL; tao->ops->setup=TaoSetUp_BNTL; bnk = (TAO_BNK *)tao->data; bnk->update_type = BNK_UPDATE_REDUCTION; /* trust region updates based on predicted/actual reduction */ PetscFunctionReturn(0); }