#include <../src/tao/bound/impls/bnk/bnk.h> #include /* Implements Newton's Method with a trust region approach for solving bound constrained minimization problems. 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 = false while niter <= max_it 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 while !stepAccepted 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 needH = True else f_{k+1} = f_k x_{k+1} = x_k g_{k+1} = g_k pg_{k+1} = pg_k if trust == oldTrust terminate because we cannot shrink the radius any further end end end check convergence at pg_{k+1} niter += 1 end */ PetscErrorCode TaoSolve_BNTR(Tao tao) { TAO_BNK *bnk = (TAO_BNK *)tao->data; KSPConvergedReason ksp_reason; PetscReal oldTrust, prered, actred, steplen = 0.0, 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; PetscCall(TaoBNKInitialize(tao, bnk->init_type, &needH)); if (tao->reason != TAO_CONTINUE_ITERATING) PetscFunctionReturn(PETSC_SUCCESS); /* Have not converged; continue with Newton method */ while (tao->reason == TAO_CONTINUE_ITERATING) { /* Call general purpose update function */ if (tao->ops->update) { PetscUseTypeMethod(tao, update, tao->niter, tao->user_update); PetscCall(TaoComputeObjective(tao, tao->solution, &bnk->f)); } if (needH && bnk->inactive_idx) { /* Take BNCG steps (if enabled) to trade-off Hessian evaluations for more gradient evaluations */ PetscCall(TaoBNKTakeCGSteps(tao, &cgTerminate)); if (cgTerminate) { tao->reason = bnk->bncg->reason; PetscFunctionReturn(PETSC_SUCCESS); } /* Compute the hessian and update the BFGS preconditioner at the new iterate */ PetscCall((*bnk->computehessian)(tao)); needH = PETSC_FALSE; } /* Store current solution before it changes */ bnk->fold = bnk->f; PetscCall(VecCopy(tao->solution, bnk->Xold)); PetscCall(VecCopy(tao->gradient, bnk->Gold)); PetscCall(VecCopy(bnk->unprojected_gradient, bnk->unprojected_gradient_old)); /* Enter into trust region loops */ stepAccepted = PETSC_FALSE; while (!stepAccepted && tao->reason == TAO_CONTINUE_ITERATING) { tao->ksp_its = 0; /* Use the common BNK kernel to compute the Newton step (for inactive variables only) */ PetscCall((*bnk->computestep)(tao, shift, &ksp_reason, &stepType)); /* Temporarily accept the step and project it into the bounds */ PetscCall(VecAXPY(tao->solution, 1.0, tao->stepdirection)); PetscCall(TaoBoundSolution(tao->solution, tao->XL, tao->XU, 0.0, &nDiff, tao->solution)); /* 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. */ PetscCall(VecCopy(tao->solution, tao->stepdirection)); PetscCall(VecAXPY(tao->stepdirection, -1.0, bnk->Xold)); PetscCall(TaoBNKRecomputePred(tao, tao->stepdirection, &prered)); } else { /* Step did not change, so we can just recover the pre-computed prediction */ PetscCall(KSPCGGetObjFcn(tao->ksp, &prered)); } prered = -prered; /* Compute the actual reduction and update the trust radius */ PetscCall(TaoComputeObjective(tao, tao->solution, &bnk->f)); PetscCheck(!PetscIsInfOrNanReal(bnk->f), PetscObjectComm((PetscObject)tao), PETSC_ERR_USER, "User provided compute function generated infinity or NaN"); actred = bnk->fold - bnk->f; oldTrust = tao->trust; PetscCall(TaoBNKUpdateTrustRadius(tao, prered, actred, bnk->update_type, stepType, &stepAccepted)); if (stepAccepted) { /* Step is good, evaluate the gradient and flip the need-Hessian switch */ steplen = 1.0; needH = PETSC_TRUE; ++bnk->newt; PetscCall(TaoComputeGradient(tao, tao->solution, bnk->unprojected_gradient)); PetscCall(TaoBNKEstimateActiveSet(tao, bnk->as_type)); PetscCall(VecCopy(bnk->unprojected_gradient, tao->gradient)); if (bnk->active_idx) PetscCall(VecISSet(tao->gradient, bnk->active_idx, 0.0)); PetscCall(TaoGradientNorm(tao, tao->gradient, NORM_2, &bnk->gnorm)); } else { /* Step is bad, revert old solution and re-solve with new radius*/ steplen = 0.0; needH = PETSC_FALSE; bnk->f = bnk->fold; PetscCall(VecCopy(bnk->Xold, tao->solution)); PetscCall(VecCopy(bnk->Gold, tao->gradient)); PetscCall(VecCopy(bnk->unprojected_gradient_old, bnk->unprojected_gradient)); if (oldTrust == tao->trust) { /* Can't change the radius anymore so just terminate */ tao->reason = TAO_DIVERGED_TR_REDUCTION; } } } /* Check for termination */ PetscCall(VecFischer(tao->solution, bnk->unprojected_gradient, tao->XL, tao->XU, bnk->W)); PetscCall(VecNorm(bnk->W, NORM_2, &resnorm)); PetscCheck(!PetscIsInfOrNanReal(resnorm), PetscObjectComm((PetscObject)tao), PETSC_ERR_USER, "User provided compute function generated infinity or NaN"); ++tao->niter; PetscCall(TaoLogConvergenceHistory(tao, bnk->f, resnorm, 0.0, tao->ksp_its)); PetscCall(TaoMonitor(tao, tao->niter, bnk->f, resnorm, 0.0, steplen)); PetscUseTypeMethod(tao, convergencetest, tao->cnvP); } PetscFunctionReturn(PETSC_SUCCESS); } static PetscErrorCode TaoSetUp_BNTR(Tao tao) { KSP ksp; PetscBool valid; PetscFunctionBegin; PetscCall(TaoSetUp_BNK(tao)); PetscCall(TaoGetKSP(tao, &ksp)); PetscCall(PetscObjectHasFunction((PetscObject)ksp, "KSPCGSetRadius_C", &valid)); PetscCheck(valid, PetscObjectComm((PetscObject)tao), PETSC_ERR_SUP, "Not for KSP type %s. Must use a trust-region CG method for KSP (e.g. KSPNASH, KSPSTCG, KSPGLTR)", ((PetscObject)ksp)->type_name); PetscFunctionReturn(PETSC_SUCCESS); } static PetscErrorCode TaoSetFromOptions_BNTR(Tao tao, PetscOptionItems PetscOptionsObject) { TAO_BNK *bnk = (TAO_BNK *)tao->data; PetscFunctionBegin; PetscCall(TaoSetFromOptions_BNK(tao, PetscOptionsObject)); if (bnk->update_type == BNK_UPDATE_STEP) bnk->update_type = BNK_UPDATE_REDUCTION; PetscFunctionReturn(PETSC_SUCCESS); } /*MC TAOBNTR - Bounded Newton Trust Region for nonlinear minimization with bound constraints. Options Database Keys: + -tao_bnk_max_cg_its - maximum number of bounded conjugate-gradient iterations taken in each Newton loop . -tao_bnk_init_type - trust radius initialization method ("constant", "direction", "interpolation") . -tao_bnk_update_type - trust radius update method ("step", "direction", "interpolation") - -tao_bnk_as_type - active-set estimation method ("none", "bertsekas") Level: beginner M*/ PETSC_EXTERN PetscErrorCode TaoCreate_BNTR(Tao tao) { TAO_BNK *bnk; PetscFunctionBegin; PetscCall(TaoCreate_BNK(tao)); tao->ops->solve = TaoSolve_BNTR; tao->ops->setup = TaoSetUp_BNTR; tao->ops->setfromoptions = TaoSetFromOptions_BNTR; bnk = (TAO_BNK *)tao->data; bnk->update_type = BNK_UPDATE_REDUCTION; /* trust region updates based on predicted/actual reduction */ PetscFunctionReturn(PETSC_SUCCESS); }