xref: /petsc/src/tao/unconstrained/impls/ntl/ntl.c (revision 2d9aa51bd4e54bdb7dc3042b9d4a676eba5efc58)
1aaa7dc30SBarry Smith #include <../src/tao/matrix/lmvmmat.h>
2aaa7dc30SBarry Smith #include <../src/tao/unconstrained/impls/ntl/ntl.h>
3a7e14dcfSSatish Balay 
4aaa7dc30SBarry Smith #include <petscksp.h>
5aaa7dc30SBarry Smith #include <petscpc.h>
6aaa7dc30SBarry Smith #include <petsc-private/kspimpl.h>
7aaa7dc30SBarry Smith #include <petsc-private/pcimpl.h>
8a7e14dcfSSatish Balay 
9a7e14dcfSSatish Balay #define NTL_KSP_NASH    0
10a7e14dcfSSatish Balay #define NTL_KSP_STCG    1
11a7e14dcfSSatish Balay #define NTL_KSP_GLTR    2
12a7e14dcfSSatish Balay #define NTL_KSP_TYPES   3
13a7e14dcfSSatish Balay 
14a7e14dcfSSatish Balay #define NTL_PC_NONE     0
15a7e14dcfSSatish Balay #define NTL_PC_AHESS    1
16a7e14dcfSSatish Balay #define NTL_PC_BFGS     2
17a7e14dcfSSatish Balay #define NTL_PC_PETSC    3
18a7e14dcfSSatish Balay #define NTL_PC_TYPES    4
19a7e14dcfSSatish Balay 
20a7e14dcfSSatish Balay #define BFGS_SCALE_AHESS        0
21a7e14dcfSSatish Balay #define BFGS_SCALE_BFGS         1
22a7e14dcfSSatish Balay #define BFGS_SCALE_TYPES        2
23a7e14dcfSSatish Balay 
24a7e14dcfSSatish Balay #define NTL_INIT_CONSTANT         0
25a7e14dcfSSatish Balay #define NTL_INIT_DIRECTION        1
26a7e14dcfSSatish Balay #define NTL_INIT_INTERPOLATION    2
27a7e14dcfSSatish Balay #define NTL_INIT_TYPES            3
28a7e14dcfSSatish Balay 
29a7e14dcfSSatish Balay #define NTL_UPDATE_REDUCTION      0
30a7e14dcfSSatish Balay #define NTL_UPDATE_INTERPOLATION  1
31a7e14dcfSSatish Balay #define NTL_UPDATE_TYPES          2
32a7e14dcfSSatish Balay 
3387f595a5SBarry Smith static const char *NTL_KSP[64] = {"nash", "stcg", "gltr"};
34a7e14dcfSSatish Balay 
3587f595a5SBarry Smith static const char *NTL_PC[64] = {"none", "ahess", "bfgs", "petsc"};
36a7e14dcfSSatish Balay 
3787f595a5SBarry Smith static const char *BFGS_SCALE[64] = {"ahess", "bfgs"};
38a7e14dcfSSatish Balay 
3987f595a5SBarry Smith static const char *NTL_INIT[64] = {"constant", "direction", "interpolation"};
40a7e14dcfSSatish Balay 
4187f595a5SBarry Smith static const char *NTL_UPDATE[64] = {"reduction", "interpolation"};
42a7e14dcfSSatish Balay 
43a7e14dcfSSatish Balay /* Routine for BFGS preconditioner */
44a7e14dcfSSatish Balay 
45a7e14dcfSSatish Balay #undef __FUNCT__
46a7e14dcfSSatish Balay #define __FUNCT__ "MatLMVMSolveShell"
47a7e14dcfSSatish Balay static PetscErrorCode MatLMVMSolveShell(PC pc, Vec b, Vec x)
48a7e14dcfSSatish Balay {
49a7e14dcfSSatish Balay   PetscErrorCode ierr;
50a7e14dcfSSatish Balay   Mat            M;
51a7e14dcfSSatish Balay 
52a7e14dcfSSatish Balay   PetscFunctionBegin;
53a7e14dcfSSatish Balay   PetscValidHeaderSpecific(pc,PC_CLASSID,1);
54a7e14dcfSSatish Balay   PetscValidHeaderSpecific(b,VEC_CLASSID,2);
55a7e14dcfSSatish Balay   PetscValidHeaderSpecific(x,VEC_CLASSID,3);
56a7e14dcfSSatish Balay   ierr = PCShellGetContext(pc,(void**)&M);CHKERRQ(ierr);
57a7e14dcfSSatish Balay   ierr = MatLMVMSolve(M, b, x);CHKERRQ(ierr);
58a7e14dcfSSatish Balay   PetscFunctionReturn(0);
59a7e14dcfSSatish Balay }
60a7e14dcfSSatish Balay 
61a7e14dcfSSatish Balay /* Implements Newton's Method with a trust-region, line-search approach for
62a7e14dcfSSatish Balay    solving unconstrained minimization problems.  A More'-Thuente line search
63a7e14dcfSSatish Balay    is used to guarantee that the bfgs preconditioner remains positive
64a7e14dcfSSatish Balay    definite. */
65a7e14dcfSSatish Balay 
66a7e14dcfSSatish Balay #define NTL_NEWTON              0
67a7e14dcfSSatish Balay #define NTL_BFGS                1
68a7e14dcfSSatish Balay #define NTL_SCALED_GRADIENT     2
69a7e14dcfSSatish Balay #define NTL_GRADIENT            3
70a7e14dcfSSatish Balay 
71a7e14dcfSSatish Balay #undef __FUNCT__
72a7e14dcfSSatish Balay #define __FUNCT__ "TaoSolve_NTL"
73441846f8SBarry Smith static PetscErrorCode TaoSolve_NTL(Tao tao)
74a7e14dcfSSatish Balay {
75a7e14dcfSSatish Balay   TAO_NTL                      *tl = (TAO_NTL *)tao->data;
76a7e14dcfSSatish Balay   PC                           pc;
77a7e14dcfSSatish Balay   KSPConvergedReason           ksp_reason;
78e4cb33bbSBarry Smith   TaoConvergedReason           reason;
79e4cb33bbSBarry Smith   TaoLineSearchConvergedReason ls_reason;
80a7e14dcfSSatish Balay 
81a7e14dcfSSatish Balay   PetscReal                    fmin, ftrial, prered, actred, kappa, sigma;
82a7e14dcfSSatish Balay   PetscReal                    tau, tau_1, tau_2, tau_max, tau_min, max_radius;
83a7e14dcfSSatish Balay   PetscReal                    f, fold, gdx, gnorm;
84a7e14dcfSSatish Balay   PetscReal                    step = 1.0;
85a7e14dcfSSatish Balay 
86a7e14dcfSSatish Balay   PetscReal                    delta;
87a7e14dcfSSatish Balay   PetscReal                    norm_d = 0.0;
88a7e14dcfSSatish Balay   PetscErrorCode               ierr;
89a7e14dcfSSatish Balay   PetscInt                     stepType;
90a7e14dcfSSatish Balay   PetscInt                     iter = 0,its;
91a7e14dcfSSatish Balay 
92a7e14dcfSSatish Balay   PetscInt                     bfgsUpdates = 0;
93a7e14dcfSSatish Balay   PetscInt                     needH;
94a7e14dcfSSatish Balay 
95a7e14dcfSSatish Balay   PetscInt                     i_max = 5;
96a7e14dcfSSatish Balay   PetscInt                     j_max = 1;
97a7e14dcfSSatish Balay   PetscInt                     i, j, n, N;
98a7e14dcfSSatish Balay 
99a7e14dcfSSatish Balay   PetscInt                     tr_reject;
100a7e14dcfSSatish Balay 
101a7e14dcfSSatish Balay   PetscFunctionBegin;
102a7e14dcfSSatish Balay   if (tao->XL || tao->XU || tao->ops->computebounds) {
103a7e14dcfSSatish Balay     ierr = PetscPrintf(((PetscObject)tao)->comm,"WARNING: Variable bounds have been set but will be ignored by ntl algorithm\n");CHKERRQ(ierr);
104a7e14dcfSSatish Balay   }
105a7e14dcfSSatish Balay 
106a7e14dcfSSatish Balay   /* Initialize trust-region radius */
107a7e14dcfSSatish Balay   tao->trust = tao->trust0;
108a7e14dcfSSatish Balay 
109a7e14dcfSSatish Balay   /* Modify the radius if it is too large or small */
110a7e14dcfSSatish Balay   tao->trust = PetscMax(tao->trust, tl->min_radius);
111a7e14dcfSSatish Balay   tao->trust = PetscMin(tao->trust, tl->max_radius);
112a7e14dcfSSatish Balay 
113a7e14dcfSSatish Balay   if (NTL_PC_BFGS == tl->pc_type && !tl->M) {
114a7e14dcfSSatish Balay     ierr = VecGetLocalSize(tao->solution,&n);CHKERRQ(ierr);
115a7e14dcfSSatish Balay     ierr = VecGetSize(tao->solution,&N);CHKERRQ(ierr);
116a7e14dcfSSatish Balay     ierr = MatCreateLMVM(((PetscObject)tao)->comm,n,N,&tl->M);CHKERRQ(ierr);
117a7e14dcfSSatish Balay     ierr = MatLMVMAllocateVectors(tl->M,tao->solution);CHKERRQ(ierr);
118a7e14dcfSSatish Balay   }
119a7e14dcfSSatish Balay 
120a7e14dcfSSatish Balay   /* Check convergence criteria */
121a7e14dcfSSatish Balay   ierr = TaoComputeObjectiveAndGradient(tao, tao->solution, &f, tao->gradient);CHKERRQ(ierr);
122a7e14dcfSSatish Balay   ierr = VecNorm(tao->gradient, NORM_2, &gnorm);CHKERRQ(ierr);
12353506e15SBarry Smith   if (PetscIsInfOrNanReal(f) || PetscIsInfOrNanReal(gnorm)) SETERRQ(PETSC_COMM_SELF,1, "User provided compute function generated Inf or NaN");
124a7e14dcfSSatish Balay   needH = 1;
125a7e14dcfSSatish Balay 
126a7e14dcfSSatish Balay   ierr = TaoMonitor(tao, iter, f, gnorm, 0.0, 1.0, &reason);CHKERRQ(ierr);
12753506e15SBarry Smith   if (reason != TAO_CONTINUE_ITERATING) PetscFunctionReturn(0);
128a7e14dcfSSatish Balay 
129a7e14dcfSSatish Balay   /* Create vectors for the limited memory preconditioner */
13053506e15SBarry Smith   if ((NTL_PC_BFGS == tl->pc_type) && (BFGS_SCALE_BFGS != tl->bfgs_scale_type)) {
131a7e14dcfSSatish Balay     if (!tl->Diag) {
132a7e14dcfSSatish Balay       ierr = VecDuplicate(tao->solution, &tl->Diag);CHKERRQ(ierr);
133a7e14dcfSSatish Balay     }
134a7e14dcfSSatish Balay   }
135a7e14dcfSSatish Balay 
136a7e14dcfSSatish Balay   /* Modify the linear solver to a conjugate gradient method */
137a7e14dcfSSatish Balay   switch(tl->ksp_type) {
138a7e14dcfSSatish Balay   case NTL_KSP_NASH:
139a7e14dcfSSatish Balay     ierr = KSPSetType(tao->ksp, KSPNASH);CHKERRQ(ierr);
140a7e14dcfSSatish Balay     if (tao->ksp->ops->setfromoptions) {
141a7e14dcfSSatish Balay       (*tao->ksp->ops->setfromoptions)(tao->ksp);
142a7e14dcfSSatish Balay     }
143a7e14dcfSSatish Balay     break;
144a7e14dcfSSatish Balay 
145a7e14dcfSSatish Balay   case NTL_KSP_STCG:
146a7e14dcfSSatish Balay     ierr = KSPSetType(tao->ksp, KSPSTCG);CHKERRQ(ierr);
147a7e14dcfSSatish Balay     if (tao->ksp->ops->setfromoptions) {
148a7e14dcfSSatish Balay       (*tao->ksp->ops->setfromoptions)(tao->ksp);
149a7e14dcfSSatish Balay     }
150a7e14dcfSSatish Balay     break;
151a7e14dcfSSatish Balay 
152a7e14dcfSSatish Balay   default:
153a7e14dcfSSatish Balay     ierr = KSPSetType(tao->ksp, KSPGLTR);CHKERRQ(ierr);
154a7e14dcfSSatish Balay     if (tao->ksp->ops->setfromoptions) {
155a7e14dcfSSatish Balay       (*tao->ksp->ops->setfromoptions)(tao->ksp);
156a7e14dcfSSatish Balay     }
157a7e14dcfSSatish Balay     break;
158a7e14dcfSSatish Balay   }
159a7e14dcfSSatish Balay 
160a7e14dcfSSatish Balay   /* Modify the preconditioner to use the bfgs approximation */
161a7e14dcfSSatish Balay   ierr = KSPGetPC(tao->ksp, &pc);CHKERRQ(ierr);
162a7e14dcfSSatish Balay   switch(tl->pc_type) {
163a7e14dcfSSatish Balay   case NTL_PC_NONE:
164a7e14dcfSSatish Balay     ierr = PCSetType(pc, PCNONE);CHKERRQ(ierr);
165a7e14dcfSSatish Balay     if (pc->ops->setfromoptions) {
166a7e14dcfSSatish Balay       (*pc->ops->setfromoptions)(pc);
167a7e14dcfSSatish Balay     }
168a7e14dcfSSatish Balay     break;
169a7e14dcfSSatish Balay 
170a7e14dcfSSatish Balay   case NTL_PC_AHESS:
171a7e14dcfSSatish Balay     ierr = PCSetType(pc, PCJACOBI);CHKERRQ(ierr);
172a7e14dcfSSatish Balay     if (pc->ops->setfromoptions) {
173a7e14dcfSSatish Balay       (*pc->ops->setfromoptions)(pc);
174a7e14dcfSSatish Balay     }
175a7e14dcfSSatish Balay     ierr = PCJacobiSetUseAbs(pc);CHKERRQ(ierr);
176a7e14dcfSSatish Balay     break;
177a7e14dcfSSatish Balay 
178a7e14dcfSSatish Balay   case NTL_PC_BFGS:
179a7e14dcfSSatish Balay     ierr = PCSetType(pc, PCSHELL);CHKERRQ(ierr);
180a7e14dcfSSatish Balay     if (pc->ops->setfromoptions) {
181a7e14dcfSSatish Balay       (*pc->ops->setfromoptions)(pc);
182a7e14dcfSSatish Balay     }
183a7e14dcfSSatish Balay     ierr = PCShellSetName(pc, "bfgs");CHKERRQ(ierr);
184a7e14dcfSSatish Balay     ierr = PCShellSetContext(pc, tl->M);CHKERRQ(ierr);
185a7e14dcfSSatish Balay     ierr = PCShellSetApply(pc, MatLMVMSolveShell);CHKERRQ(ierr);
186a7e14dcfSSatish Balay     break;
187a7e14dcfSSatish Balay 
188a7e14dcfSSatish Balay   default:
189a7e14dcfSSatish Balay     /* Use the pc method set by pc_type */
190a7e14dcfSSatish Balay     break;
191a7e14dcfSSatish Balay   }
192a7e14dcfSSatish Balay 
193a7e14dcfSSatish Balay   /* Initialize trust-region radius.  The initialization is only performed
194a7e14dcfSSatish Balay      when we are using Steihaug-Toint or the Generalized Lanczos method. */
195a7e14dcfSSatish Balay   switch(tl->init_type) {
196a7e14dcfSSatish Balay   case NTL_INIT_CONSTANT:
197a7e14dcfSSatish Balay     /* Use the initial radius specified */
198a7e14dcfSSatish Balay     break;
199a7e14dcfSSatish Balay 
200a7e14dcfSSatish Balay   case NTL_INIT_INTERPOLATION:
201a7e14dcfSSatish Balay     /* Use the initial radius specified */
202a7e14dcfSSatish Balay     max_radius = 0.0;
203a7e14dcfSSatish Balay 
204a7e14dcfSSatish Balay     for (j = 0; j < j_max; ++j) {
205a7e14dcfSSatish Balay       fmin = f;
206a7e14dcfSSatish Balay       sigma = 0.0;
207a7e14dcfSSatish Balay 
208a7e14dcfSSatish Balay       if (needH) {
209ffad9901SBarry Smith         ierr = TaoComputeHessian(tao,tao->solution,tao->hessian,tao->hessian_pre);CHKERRQ(ierr);
210a7e14dcfSSatish Balay         needH = 0;
211a7e14dcfSSatish Balay       }
212a7e14dcfSSatish Balay 
213a7e14dcfSSatish Balay       for (i = 0; i < i_max; ++i) {
214a7e14dcfSSatish Balay         ierr = VecCopy(tao->solution, tl->W);CHKERRQ(ierr);
215a7e14dcfSSatish Balay         ierr = VecAXPY(tl->W, -tao->trust/gnorm, tao->gradient);CHKERRQ(ierr);
216a7e14dcfSSatish Balay 
217a7e14dcfSSatish Balay         ierr = TaoComputeObjective(tao, tl->W, &ftrial);CHKERRQ(ierr);
218a7e14dcfSSatish Balay         if (PetscIsInfOrNanReal(ftrial)) {
219a7e14dcfSSatish Balay           tau = tl->gamma1_i;
22053506e15SBarry Smith         } else {
221a7e14dcfSSatish Balay           if (ftrial < fmin) {
222a7e14dcfSSatish Balay             fmin = ftrial;
223a7e14dcfSSatish Balay             sigma = -tao->trust / gnorm;
224a7e14dcfSSatish Balay           }
225a7e14dcfSSatish Balay 
226a7e14dcfSSatish Balay           ierr = MatMult(tao->hessian, tao->gradient, tao->stepdirection);CHKERRQ(ierr);
227a7e14dcfSSatish Balay           ierr = VecDot(tao->gradient, tao->stepdirection, &prered);CHKERRQ(ierr);
228a7e14dcfSSatish Balay 
229a7e14dcfSSatish Balay           prered = tao->trust * (gnorm - 0.5 * tao->trust * prered / (gnorm * gnorm));
230a7e14dcfSSatish Balay           actred = f - ftrial;
23153506e15SBarry Smith           if ((PetscAbsScalar(actred) <= tl->epsilon) && (PetscAbsScalar(prered) <= tl->epsilon)) {
232a7e14dcfSSatish Balay             kappa = 1.0;
23353506e15SBarry Smith           } else {
234a7e14dcfSSatish Balay             kappa = actred / prered;
235a7e14dcfSSatish Balay           }
236a7e14dcfSSatish Balay 
237a7e14dcfSSatish Balay           tau_1 = tl->theta_i * gnorm * tao->trust / (tl->theta_i * gnorm * tao->trust + (1.0 - tl->theta_i) * prered - actred);
238a7e14dcfSSatish Balay           tau_2 = tl->theta_i * gnorm * tao->trust / (tl->theta_i * gnorm * tao->trust - (1.0 + tl->theta_i) * prered + actred);
239a7e14dcfSSatish Balay           tau_min = PetscMin(tau_1, tau_2);
240a7e14dcfSSatish Balay           tau_max = PetscMax(tau_1, tau_2);
241a7e14dcfSSatish Balay 
242a7e14dcfSSatish Balay           if (PetscAbsScalar(kappa - 1.0) <= tl->mu1_i) {
243a7e14dcfSSatish Balay             /* Great agreement */
244a7e14dcfSSatish Balay             max_radius = PetscMax(max_radius, tao->trust);
245a7e14dcfSSatish Balay 
246a7e14dcfSSatish Balay             if (tau_max < 1.0) {
247a7e14dcfSSatish Balay               tau = tl->gamma3_i;
24853506e15SBarry Smith             } else if (tau_max > tl->gamma4_i) {
249a7e14dcfSSatish Balay               tau = tl->gamma4_i;
25053506e15SBarry Smith             } else if (tau_1 >= 1.0 && tau_1 <= tl->gamma4_i && tau_2 < 1.0) {
251a7e14dcfSSatish Balay               tau = tau_1;
25253506e15SBarry Smith             } else if (tau_2 >= 1.0 && tau_2 <= tl->gamma4_i && tau_1 < 1.0) {
253a7e14dcfSSatish Balay               tau = tau_2;
25453506e15SBarry Smith             } else {
255a7e14dcfSSatish Balay               tau = tau_max;
256a7e14dcfSSatish Balay             }
25753506e15SBarry Smith           } else if (PetscAbsScalar(kappa - 1.0) <= tl->mu2_i) {
258a7e14dcfSSatish Balay             /* Good agreement */
259a7e14dcfSSatish Balay             max_radius = PetscMax(max_radius, tao->trust);
260a7e14dcfSSatish Balay 
261a7e14dcfSSatish Balay             if (tau_max < tl->gamma2_i) {
262a7e14dcfSSatish Balay               tau = tl->gamma2_i;
26353506e15SBarry Smith             } else if (tau_max > tl->gamma3_i) {
264a7e14dcfSSatish Balay               tau = tl->gamma3_i;
26553506e15SBarry Smith             } else {
266a7e14dcfSSatish Balay               tau = tau_max;
267a7e14dcfSSatish Balay             }
26853506e15SBarry Smith           } else {
269a7e14dcfSSatish Balay             /* Not good agreement */
270a7e14dcfSSatish Balay             if (tau_min > 1.0) {
271a7e14dcfSSatish Balay               tau = tl->gamma2_i;
27253506e15SBarry Smith             } else if (tau_max < tl->gamma1_i) {
273a7e14dcfSSatish Balay               tau = tl->gamma1_i;
27453506e15SBarry Smith             } else if ((tau_min < tl->gamma1_i) && (tau_max >= 1.0)) {
275a7e14dcfSSatish Balay               tau = tl->gamma1_i;
27653506e15SBarry Smith             } else if ((tau_1 >= tl->gamma1_i) && (tau_1 < 1.0) &&  ((tau_2 < tl->gamma1_i) || (tau_2 >= 1.0))) {
277a7e14dcfSSatish Balay               tau = tau_1;
27853506e15SBarry Smith             } else if ((tau_2 >= tl->gamma1_i) && (tau_2 < 1.0) &&  ((tau_1 < tl->gamma1_i) || (tau_2 >= 1.0))) {
279a7e14dcfSSatish Balay               tau = tau_2;
28053506e15SBarry Smith             } else {
281a7e14dcfSSatish Balay               tau = tau_max;
282a7e14dcfSSatish Balay             }
283a7e14dcfSSatish Balay           }
284a7e14dcfSSatish Balay         }
285a7e14dcfSSatish Balay         tao->trust = tau * tao->trust;
286a7e14dcfSSatish Balay       }
287a7e14dcfSSatish Balay 
288a7e14dcfSSatish Balay       if (fmin < f) {
289a7e14dcfSSatish Balay         f = fmin;
290a7e14dcfSSatish Balay         ierr = VecAXPY(tao->solution, sigma, tao->gradient);CHKERRQ(ierr);
291a7e14dcfSSatish Balay         ierr = TaoComputeGradient(tao, tao->solution, tao->gradient);CHKERRQ(ierr);
292a7e14dcfSSatish Balay 
293a7e14dcfSSatish Balay         ierr = VecNorm(tao->gradient, NORM_2, &gnorm);CHKERRQ(ierr);
29453506e15SBarry Smith         if (PetscIsInfOrNanReal(f) || PetscIsInfOrNanReal(gnorm)) SETERRQ(PETSC_COMM_SELF,1, "User provided compute function generated Inf or NaN");
295a7e14dcfSSatish Balay         needH = 1;
296a7e14dcfSSatish Balay 
297a7e14dcfSSatish Balay         ierr = TaoMonitor(tao, iter, f, gnorm, 0.0, 1.0, &reason);CHKERRQ(ierr);
29853506e15SBarry Smith         if (reason != TAO_CONTINUE_ITERATING) PetscFunctionReturn(0);
299a7e14dcfSSatish Balay       }
300a7e14dcfSSatish Balay     }
301a7e14dcfSSatish Balay     tao->trust = PetscMax(tao->trust, max_radius);
302a7e14dcfSSatish Balay 
303a7e14dcfSSatish Balay     /* Modify the radius if it is too large or small */
304a7e14dcfSSatish Balay     tao->trust = PetscMax(tao->trust, tl->min_radius);
305a7e14dcfSSatish Balay     tao->trust = PetscMin(tao->trust, tl->max_radius);
306a7e14dcfSSatish Balay     break;
307a7e14dcfSSatish Balay 
308a7e14dcfSSatish Balay   default:
309a7e14dcfSSatish Balay     /* Norm of the first direction will initialize radius */
310a7e14dcfSSatish Balay     tao->trust = 0.0;
311a7e14dcfSSatish Balay     break;
312a7e14dcfSSatish Balay   }
313a7e14dcfSSatish Balay 
314a7e14dcfSSatish Balay   /* Set initial scaling for the BFGS preconditioner
315a7e14dcfSSatish Balay      This step is done after computing the initial trust-region radius
316a7e14dcfSSatish Balay      since the function value may have decreased */
317a7e14dcfSSatish Balay   if (NTL_PC_BFGS == tl->pc_type) {
318a7e14dcfSSatish Balay     if (f != 0.0) {
319a7e14dcfSSatish Balay       delta = 2.0 * PetscAbsScalar(f) / (gnorm*gnorm);
32053506e15SBarry Smith     } else {
321a7e14dcfSSatish Balay       delta = 2.0 / (gnorm*gnorm);
322a7e14dcfSSatish Balay     }
323a7e14dcfSSatish Balay     ierr = MatLMVMSetDelta(tl->M, delta);CHKERRQ(ierr);
324a7e14dcfSSatish Balay   }
325a7e14dcfSSatish Balay 
326a7e14dcfSSatish Balay   /* Set counter for gradient/reset steps */
327a7e14dcfSSatish Balay   tl->ntrust = 0;
328a7e14dcfSSatish Balay   tl->newt = 0;
329a7e14dcfSSatish Balay   tl->bfgs = 0;
330a7e14dcfSSatish Balay   tl->sgrad = 0;
331a7e14dcfSSatish Balay   tl->grad = 0;
332a7e14dcfSSatish Balay 
333a7e14dcfSSatish Balay   /* Have not converged; continue with Newton method */
334a7e14dcfSSatish Balay   while (reason == TAO_CONTINUE_ITERATING) {
335a7e14dcfSSatish Balay     ++iter;
336ae93cb3cSJason Sarich     tao->ksp_its=0;
337a7e14dcfSSatish Balay     /* Compute the Hessian */
338a7e14dcfSSatish Balay     if (needH) {
339ffad9901SBarry Smith       ierr = TaoComputeHessian(tao,tao->solution,tao->hessian,tao->hessian_pre);CHKERRQ(ierr);
340a7e14dcfSSatish Balay       needH = 0;
341a7e14dcfSSatish Balay     }
342a7e14dcfSSatish Balay 
343a7e14dcfSSatish Balay     if (NTL_PC_BFGS == tl->pc_type) {
344a7e14dcfSSatish Balay       if (BFGS_SCALE_AHESS == tl->bfgs_scale_type) {
345a7e14dcfSSatish Balay         /* Obtain diagonal for the bfgs preconditioner */
346a7e14dcfSSatish Balay         ierr = MatGetDiagonal(tao->hessian, tl->Diag);CHKERRQ(ierr);
347a7e14dcfSSatish Balay         ierr = VecAbs(tl->Diag);CHKERRQ(ierr);
348a7e14dcfSSatish Balay         ierr = VecReciprocal(tl->Diag);CHKERRQ(ierr);
349a7e14dcfSSatish Balay         ierr = MatLMVMSetScale(tl->M, tl->Diag);CHKERRQ(ierr);
350a7e14dcfSSatish Balay       }
351a7e14dcfSSatish Balay 
352a7e14dcfSSatish Balay       /* Update the limited memory preconditioner */
353a7e14dcfSSatish Balay       ierr = MatLMVMUpdate(tl->M,tao->solution, tao->gradient);CHKERRQ(ierr);
354a7e14dcfSSatish Balay       ++bfgsUpdates;
355a7e14dcfSSatish Balay     }
35623ee1639SBarry Smith     ierr = KSPSetOperators(tao->ksp, tao->hessian, tao->hessian_pre);CHKERRQ(ierr);
357a7e14dcfSSatish Balay     /* Solve the Newton system of equations */
358a7e14dcfSSatish Balay     if (NTL_KSP_NASH == tl->ksp_type) {
359a7e14dcfSSatish Balay       ierr = KSPNASHSetRadius(tao->ksp,tl->max_radius);CHKERRQ(ierr);
360a7e14dcfSSatish Balay       ierr = KSPSolve(tao->ksp, tao->gradient, tao->stepdirection);CHKERRQ(ierr);
361a7e14dcfSSatish Balay       ierr = KSPGetIterationNumber(tao->ksp,&its);CHKERRQ(ierr);
362a7e14dcfSSatish Balay       tao->ksp_its+=its;
363ae93cb3cSJason Sarich       tao->ksp_tot_its+=its;
364a7e14dcfSSatish Balay       ierr = KSPNASHGetNormD(tao->ksp, &norm_d);CHKERRQ(ierr);
365a7e14dcfSSatish Balay     } else if (NTL_KSP_STCG == tl->ksp_type) {
366a7e14dcfSSatish Balay       ierr = KSPSTCGSetRadius(tao->ksp,tl->max_radius);CHKERRQ(ierr);
367a7e14dcfSSatish Balay       ierr = KSPSolve(tao->ksp, tao->gradient, tao->stepdirection);CHKERRQ(ierr);
368a7e14dcfSSatish Balay       ierr = KSPGetIterationNumber(tao->ksp,&its);CHKERRQ(ierr);
369a7e14dcfSSatish Balay       tao->ksp_its+=its;
370ae93cb3cSJason Sarich       tao->ksp_tot_its+=its;
371a7e14dcfSSatish Balay       ierr = KSPSTCGGetNormD(tao->ksp, &norm_d);CHKERRQ(ierr);
372a7e14dcfSSatish Balay     } else { /* NTL_KSP_GLTR */
373a7e14dcfSSatish Balay       ierr = KSPGLTRSetRadius(tao->ksp,tl->max_radius);CHKERRQ(ierr);
374a7e14dcfSSatish Balay       ierr = KSPSolve(tao->ksp, tao->gradient, tao->stepdirection);CHKERRQ(ierr);
375a7e14dcfSSatish Balay       ierr = KSPGetIterationNumber(tao->ksp,&its);CHKERRQ(ierr);
376a7e14dcfSSatish Balay       tao->ksp_its+=its;
377*2d9aa51bSJason Sarich       tao->ksp_tot_its+=its;
378a7e14dcfSSatish Balay       ierr = KSPGLTRGetNormD(tao->ksp, &norm_d);CHKERRQ(ierr);
379a7e14dcfSSatish Balay     }
380a7e14dcfSSatish Balay 
381a7e14dcfSSatish Balay     if (0.0 == tao->trust) {
382a7e14dcfSSatish Balay       /* Radius was uninitialized; use the norm of the direction */
383a7e14dcfSSatish Balay       if (norm_d > 0.0) {
384a7e14dcfSSatish Balay         tao->trust = norm_d;
385a7e14dcfSSatish Balay 
386a7e14dcfSSatish Balay         /* Modify the radius if it is too large or small */
387a7e14dcfSSatish Balay         tao->trust = PetscMax(tao->trust, tl->min_radius);
388a7e14dcfSSatish Balay         tao->trust = PetscMin(tao->trust, tl->max_radius);
38953506e15SBarry Smith       } else {
390a7e14dcfSSatish Balay         /* The direction was bad; set radius to default value and re-solve
391a7e14dcfSSatish Balay            the trust-region subproblem to get a direction */
392a7e14dcfSSatish Balay         tao->trust = tao->trust0;
393a7e14dcfSSatish Balay 
394a7e14dcfSSatish Balay         /* Modify the radius if it is too large or small */
395a7e14dcfSSatish Balay         tao->trust = PetscMax(tao->trust, tl->min_radius);
396a7e14dcfSSatish Balay         tao->trust = PetscMin(tao->trust, tl->max_radius);
397a7e14dcfSSatish Balay 
398a7e14dcfSSatish Balay         if (NTL_KSP_NASH == tl->ksp_type) {
399a7e14dcfSSatish Balay           ierr = KSPNASHSetRadius(tao->ksp,tl->max_radius);CHKERRQ(ierr);
400a7e14dcfSSatish Balay           ierr = KSPSolve(tao->ksp, tao->gradient, tao->stepdirection);CHKERRQ(ierr);
401a7e14dcfSSatish Balay           ierr = KSPGetIterationNumber(tao->ksp,&its);CHKERRQ(ierr);
402a7e14dcfSSatish Balay           tao->ksp_its+=its;
403*2d9aa51bSJason Sarich           tao->ksp_tot_its+=its;
404a7e14dcfSSatish Balay           ierr = KSPNASHGetNormD(tao->ksp, &norm_d);CHKERRQ(ierr);
405a7e14dcfSSatish Balay         } else if (NTL_KSP_STCG == tl->ksp_type) {
406a7e14dcfSSatish Balay           ierr = KSPSTCGSetRadius(tao->ksp,tl->max_radius);CHKERRQ(ierr);
407a7e14dcfSSatish Balay           ierr = KSPSolve(tao->ksp, tao->gradient, tao->stepdirection);CHKERRQ(ierr);
408a7e14dcfSSatish Balay           ierr = KSPGetIterationNumber(tao->ksp,&its);CHKERRQ(ierr);
409a7e14dcfSSatish Balay           tao->ksp_its+=its;
410*2d9aa51bSJason Sarich           tao->ksp_tot_its+=its;
411a7e14dcfSSatish Balay           ierr = KSPSTCGGetNormD(tao->ksp, &norm_d);CHKERRQ(ierr);
412a7e14dcfSSatish Balay         } else { /* NTL_KSP_GLTR */
413a7e14dcfSSatish Balay           ierr = KSPGLTRSetRadius(tao->ksp,tl->max_radius);CHKERRQ(ierr);
414a7e14dcfSSatish Balay           ierr = KSPSolve(tao->ksp, tao->gradient, tao->stepdirection);CHKERRQ(ierr);
415a7e14dcfSSatish Balay           ierr = KSPGetIterationNumber(tao->ksp,&its);CHKERRQ(ierr);
416a7e14dcfSSatish Balay           tao->ksp_its+=its;
417*2d9aa51bSJason Sarich           tao->ksp_tot_its+=its;
418a7e14dcfSSatish Balay           ierr = KSPGLTRGetNormD(tao->ksp, &norm_d);CHKERRQ(ierr);
419a7e14dcfSSatish Balay         }
420a7e14dcfSSatish Balay 
421a7e14dcfSSatish Balay 
42253506e15SBarry Smith         if (norm_d == 0.0) SETERRQ(PETSC_COMM_SELF,1, "Initial direction zero");
423a7e14dcfSSatish Balay       }
424a7e14dcfSSatish Balay     }
425a7e14dcfSSatish Balay 
426a7e14dcfSSatish Balay     ierr = VecScale(tao->stepdirection, -1.0);CHKERRQ(ierr);
427a7e14dcfSSatish Balay     ierr = KSPGetConvergedReason(tao->ksp, &ksp_reason);CHKERRQ(ierr);
42853506e15SBarry Smith     if ((KSP_DIVERGED_INDEFINITE_PC == ksp_reason) && (NTL_PC_BFGS == tl->pc_type) && (bfgsUpdates > 1)) {
429a7e14dcfSSatish Balay       /* Preconditioner is numerically indefinite; reset the
430a7e14dcfSSatish Balay          approximate if using BFGS preconditioning. */
431a7e14dcfSSatish Balay 
432a7e14dcfSSatish Balay       if (f != 0.0) {
433a7e14dcfSSatish Balay         delta = 2.0 * PetscAbsScalar(f) / (gnorm*gnorm);
43453506e15SBarry Smith       } else {
435a7e14dcfSSatish Balay         delta = 2.0 / (gnorm*gnorm);
436a7e14dcfSSatish Balay       }
437a7e14dcfSSatish Balay       ierr = MatLMVMSetDelta(tl->M, delta);CHKERRQ(ierr);
438a7e14dcfSSatish Balay       ierr = MatLMVMReset(tl->M);CHKERRQ(ierr);
439a7e14dcfSSatish Balay       ierr = MatLMVMUpdate(tl->M, tao->solution, tao->gradient);CHKERRQ(ierr);
440a7e14dcfSSatish Balay       bfgsUpdates = 1;
441a7e14dcfSSatish Balay     }
442a7e14dcfSSatish Balay 
443a7e14dcfSSatish Balay     /* Check trust-region reduction conditions */
444a7e14dcfSSatish Balay     tr_reject = 0;
445a7e14dcfSSatish Balay     if (NTL_UPDATE_REDUCTION == tl->update_type) {
446a7e14dcfSSatish Balay       /* Get predicted reduction */
447a7e14dcfSSatish Balay       if (NTL_KSP_NASH == tl->ksp_type) {
448a7e14dcfSSatish Balay         ierr = KSPNASHGetObjFcn(tao->ksp,&prered);CHKERRQ(ierr);
449a7e14dcfSSatish Balay       } else if (NTL_KSP_STCG == tl->ksp_type) {
450a7e14dcfSSatish Balay         ierr = KSPSTCGGetObjFcn(tao->ksp,&prered);CHKERRQ(ierr);
451a7e14dcfSSatish Balay       } else { /* gltr */
452a7e14dcfSSatish Balay         ierr = KSPGLTRGetObjFcn(tao->ksp,&prered);CHKERRQ(ierr);
453a7e14dcfSSatish Balay       }
454a7e14dcfSSatish Balay 
455a7e14dcfSSatish Balay       if (prered >= 0.0) {
456a7e14dcfSSatish Balay         /* The predicted reduction has the wrong sign.  This cannot
457a7e14dcfSSatish Balay            happen in infinite precision arithmetic.  Step should
458a7e14dcfSSatish Balay            be rejected! */
459a7e14dcfSSatish Balay         tao->trust = tl->alpha1 * PetscMin(tao->trust, norm_d);
460a7e14dcfSSatish Balay         tr_reject = 1;
46153506e15SBarry Smith       } else {
462a7e14dcfSSatish Balay         /* Compute trial step and function value */
463a7e14dcfSSatish Balay         ierr = VecCopy(tao->solution, tl->W);CHKERRQ(ierr);
464a7e14dcfSSatish Balay         ierr = VecAXPY(tl->W, 1.0, tao->stepdirection);CHKERRQ(ierr);
465a7e14dcfSSatish Balay         ierr = TaoComputeObjective(tao, tl->W, &ftrial);CHKERRQ(ierr);
466a7e14dcfSSatish Balay 
467a7e14dcfSSatish Balay         if (PetscIsInfOrNanReal(ftrial)) {
468a7e14dcfSSatish Balay           tao->trust = tl->alpha1 * PetscMin(tao->trust, norm_d);
469a7e14dcfSSatish Balay           tr_reject = 1;
47053506e15SBarry Smith         } else {
471a7e14dcfSSatish Balay           /* Compute and actual reduction */
472a7e14dcfSSatish Balay           actred = f - ftrial;
473a7e14dcfSSatish Balay           prered = -prered;
474a7e14dcfSSatish Balay           if ((PetscAbsScalar(actred) <= tl->epsilon) &&
475a7e14dcfSSatish Balay               (PetscAbsScalar(prered) <= tl->epsilon)) {
476a7e14dcfSSatish Balay             kappa = 1.0;
47753506e15SBarry Smith           } else {
478a7e14dcfSSatish Balay             kappa = actred / prered;
479a7e14dcfSSatish Balay           }
480a7e14dcfSSatish Balay 
481a7e14dcfSSatish Balay           /* Accept of reject the step and update radius */
482a7e14dcfSSatish Balay           if (kappa < tl->eta1) {
483a7e14dcfSSatish Balay             /* Reject the step */
484a7e14dcfSSatish Balay             tao->trust = tl->alpha1 * PetscMin(tao->trust, norm_d);
485a7e14dcfSSatish Balay             tr_reject = 1;
48653506e15SBarry Smith           } else {
487a7e14dcfSSatish Balay             /* Accept the step */
488a7e14dcfSSatish Balay             if (kappa < tl->eta2) {
489a7e14dcfSSatish Balay               /* Marginal bad step */
490a7e14dcfSSatish Balay               tao->trust = tl->alpha2 * PetscMin(tao->trust, norm_d);
49153506e15SBarry Smith             } else if (kappa < tl->eta3) {
492a7e14dcfSSatish Balay               /* Reasonable step */
493a7e14dcfSSatish Balay               tao->trust = tl->alpha3 * tao->trust;
49453506e15SBarry Smith             } else if (kappa < tl->eta4) {
495a7e14dcfSSatish Balay               /* Good step */
496a7e14dcfSSatish Balay               tao->trust = PetscMax(tl->alpha4 * norm_d, tao->trust);
49753506e15SBarry Smith             } else {
498a7e14dcfSSatish Balay               /* Very good step */
499a7e14dcfSSatish Balay               tao->trust = PetscMax(tl->alpha5 * norm_d, tao->trust);
500a7e14dcfSSatish Balay             }
501a7e14dcfSSatish Balay           }
502a7e14dcfSSatish Balay         }
503a7e14dcfSSatish Balay       }
50453506e15SBarry Smith     } else {
505a7e14dcfSSatish Balay       /* Get predicted reduction */
506a7e14dcfSSatish Balay       if (NTL_KSP_NASH == tl->ksp_type) {
507a7e14dcfSSatish Balay         ierr = KSPNASHGetObjFcn(tao->ksp,&prered);CHKERRQ(ierr);
508a7e14dcfSSatish Balay       } else if (NTL_KSP_STCG == tl->ksp_type) {
509a7e14dcfSSatish Balay         ierr = KSPSTCGGetObjFcn(tao->ksp,&prered);CHKERRQ(ierr);
510a7e14dcfSSatish Balay       } else { /* gltr */
511a7e14dcfSSatish Balay         ierr = KSPGLTRGetObjFcn(tao->ksp,&prered);CHKERRQ(ierr);
512a7e14dcfSSatish Balay       }
513a7e14dcfSSatish Balay 
514a7e14dcfSSatish Balay       if (prered >= 0.0) {
515a7e14dcfSSatish Balay         /* The predicted reduction has the wrong sign.  This cannot
516a7e14dcfSSatish Balay            happen in infinite precision arithmetic.  Step should
517a7e14dcfSSatish Balay            be rejected! */
518a7e14dcfSSatish Balay         tao->trust = tl->gamma1 * PetscMin(tao->trust, norm_d);
519a7e14dcfSSatish Balay         tr_reject = 1;
52053506e15SBarry Smith       } else {
521a7e14dcfSSatish Balay         ierr = VecCopy(tao->solution, tl->W);CHKERRQ(ierr);
522a7e14dcfSSatish Balay         ierr = VecAXPY(tl->W, 1.0, tao->stepdirection);CHKERRQ(ierr);
523a7e14dcfSSatish Balay         ierr = TaoComputeObjective(tao, tl->W, &ftrial);CHKERRQ(ierr);
524a7e14dcfSSatish Balay         if (PetscIsInfOrNanReal(ftrial)) {
525a7e14dcfSSatish Balay           tao->trust = tl->gamma1 * PetscMin(tao->trust, norm_d);
526a7e14dcfSSatish Balay           tr_reject = 1;
52753506e15SBarry Smith         } else {
528a7e14dcfSSatish Balay           ierr = VecDot(tao->gradient, tao->stepdirection, &gdx);CHKERRQ(ierr);
529a7e14dcfSSatish Balay 
530a7e14dcfSSatish Balay           actred = f - ftrial;
531a7e14dcfSSatish Balay           prered = -prered;
532a7e14dcfSSatish Balay           if ((PetscAbsScalar(actred) <= tl->epsilon) &&
533a7e14dcfSSatish Balay               (PetscAbsScalar(prered) <= tl->epsilon)) {
534a7e14dcfSSatish Balay             kappa = 1.0;
53553506e15SBarry Smith           } else {
536a7e14dcfSSatish Balay             kappa = actred / prered;
537a7e14dcfSSatish Balay           }
538a7e14dcfSSatish Balay 
539a7e14dcfSSatish Balay           tau_1 = tl->theta * gdx / (tl->theta * gdx - (1.0 - tl->theta) * prered + actred);
540a7e14dcfSSatish Balay           tau_2 = tl->theta * gdx / (tl->theta * gdx + (1.0 + tl->theta) * prered - actred);
541a7e14dcfSSatish Balay           tau_min = PetscMin(tau_1, tau_2);
542a7e14dcfSSatish Balay           tau_max = PetscMax(tau_1, tau_2);
543a7e14dcfSSatish Balay 
544a7e14dcfSSatish Balay           if (kappa >= 1.0 - tl->mu1) {
545a7e14dcfSSatish Balay             /* Great agreement; accept step and update radius */
546a7e14dcfSSatish Balay             if (tau_max < 1.0) {
547a7e14dcfSSatish Balay               tao->trust = PetscMax(tao->trust, tl->gamma3 * norm_d);
54853506e15SBarry Smith             } else if (tau_max > tl->gamma4) {
549a7e14dcfSSatish Balay               tao->trust = PetscMax(tao->trust, tl->gamma4 * norm_d);
55053506e15SBarry Smith             } else {
551a7e14dcfSSatish Balay               tao->trust = PetscMax(tao->trust, tau_max * norm_d);
552a7e14dcfSSatish Balay             }
55353506e15SBarry Smith           } else if (kappa >= 1.0 - tl->mu2) {
554a7e14dcfSSatish Balay             /* Good agreement */
555a7e14dcfSSatish Balay 
556a7e14dcfSSatish Balay             if (tau_max < tl->gamma2) {
557a7e14dcfSSatish Balay               tao->trust = tl->gamma2 * PetscMin(tao->trust, norm_d);
55853506e15SBarry Smith             } else if (tau_max > tl->gamma3) {
559a7e14dcfSSatish Balay               tao->trust = PetscMax(tao->trust, tl->gamma3 * norm_d);
560a7e14dcfSSatish Balay             } else if (tau_max < 1.0) {
561a7e14dcfSSatish Balay               tao->trust = tau_max * PetscMin(tao->trust, norm_d);
56253506e15SBarry Smith             } else {
563a7e14dcfSSatish Balay               tao->trust = PetscMax(tao->trust, tau_max * norm_d);
564a7e14dcfSSatish Balay             }
56553506e15SBarry Smith           } else {
566a7e14dcfSSatish Balay             /* Not good agreement */
567a7e14dcfSSatish Balay             if (tau_min > 1.0) {
568a7e14dcfSSatish Balay               tao->trust = tl->gamma2 * PetscMin(tao->trust, norm_d);
56953506e15SBarry Smith             } else if (tau_max < tl->gamma1) {
570a7e14dcfSSatish Balay               tao->trust = tl->gamma1 * PetscMin(tao->trust, norm_d);
57153506e15SBarry Smith             } else if ((tau_min < tl->gamma1) && (tau_max >= 1.0)) {
572a7e14dcfSSatish Balay               tao->trust = tl->gamma1 * PetscMin(tao->trust, norm_d);
57353506e15SBarry Smith             } else if ((tau_1 >= tl->gamma1) && (tau_1 < 1.0) && ((tau_2 < tl->gamma1) || (tau_2 >= 1.0))) {
574a7e14dcfSSatish Balay               tao->trust = tau_1 * PetscMin(tao->trust, norm_d);
57553506e15SBarry Smith             } else if ((tau_2 >= tl->gamma1) && (tau_2 < 1.0) && ((tau_1 < tl->gamma1) || (tau_2 >= 1.0))) {
576a7e14dcfSSatish Balay               tao->trust = tau_2 * PetscMin(tao->trust, norm_d);
57753506e15SBarry Smith             } else {
578a7e14dcfSSatish Balay               tao->trust = tau_max * PetscMin(tao->trust, norm_d);
579a7e14dcfSSatish Balay             }
580a7e14dcfSSatish Balay             tr_reject = 1;
581a7e14dcfSSatish Balay           }
582a7e14dcfSSatish Balay         }
583a7e14dcfSSatish Balay       }
584a7e14dcfSSatish Balay     }
585a7e14dcfSSatish Balay 
586a7e14dcfSSatish Balay     if (tr_reject) {
587a7e14dcfSSatish Balay       /* The trust-region constraints rejected the step.  Apply a linesearch.
588a7e14dcfSSatish Balay          Check for descent direction. */
589a7e14dcfSSatish Balay       ierr = VecDot(tao->stepdirection, tao->gradient, &gdx);CHKERRQ(ierr);
590a7e14dcfSSatish Balay       if ((gdx >= 0.0) || PetscIsInfOrNanReal(gdx)) {
591a7e14dcfSSatish Balay         /* Newton step is not descent or direction produced Inf or NaN */
592a7e14dcfSSatish Balay 
593a7e14dcfSSatish Balay         if (NTL_PC_BFGS != tl->pc_type) {
594a7e14dcfSSatish Balay           /* We don't have the bfgs matrix around and updated
595a7e14dcfSSatish Balay              Must use gradient direction in this case */
596a7e14dcfSSatish Balay           ierr = VecCopy(tao->gradient, tao->stepdirection);CHKERRQ(ierr);
597a7e14dcfSSatish Balay           ierr = VecScale(tao->stepdirection, -1.0);CHKERRQ(ierr);
598a7e14dcfSSatish Balay           ++tl->grad;
599a7e14dcfSSatish Balay           stepType = NTL_GRADIENT;
60053506e15SBarry Smith         } else {
601a7e14dcfSSatish Balay           /* Attempt to use the BFGS direction */
602a7e14dcfSSatish Balay           ierr = MatLMVMSolve(tl->M, tao->gradient, tao->stepdirection);CHKERRQ(ierr);
603a7e14dcfSSatish Balay           ierr = VecScale(tao->stepdirection, -1.0);CHKERRQ(ierr);
604a7e14dcfSSatish Balay 
605a7e14dcfSSatish Balay           /* Check for success (descent direction) */
606a7e14dcfSSatish Balay           ierr = VecDot(tao->stepdirection, tao->gradient, &gdx);CHKERRQ(ierr);
607a7e14dcfSSatish Balay           if ((gdx >= 0) || PetscIsInfOrNanReal(gdx)) {
608a7e14dcfSSatish Balay             /* BFGS direction is not descent or direction produced not a number
609a7e14dcfSSatish Balay                We can assert bfgsUpdates > 1 in this case because
610a7e14dcfSSatish Balay                the first solve produces the scaled gradient direction,
611a7e14dcfSSatish Balay                which is guaranteed to be descent */
612a7e14dcfSSatish Balay 
613a7e14dcfSSatish Balay             /* Use steepest descent direction (scaled) */
614a7e14dcfSSatish Balay             if (f != 0.0) {
615a7e14dcfSSatish Balay               delta = 2.0 * PetscAbsScalar(f) / (gnorm*gnorm);
61653506e15SBarry Smith             } else {
617a7e14dcfSSatish Balay               delta = 2.0 / (gnorm*gnorm);
618a7e14dcfSSatish Balay             }
619a7e14dcfSSatish Balay             ierr = MatLMVMSetDelta(tl->M, delta);CHKERRQ(ierr);
620a7e14dcfSSatish Balay             ierr = MatLMVMReset(tl->M);CHKERRQ(ierr);
621a7e14dcfSSatish Balay             ierr = MatLMVMUpdate(tl->M, tao->solution, tao->gradient);CHKERRQ(ierr);
622a7e14dcfSSatish Balay             ierr = MatLMVMSolve(tl->M, tao->gradient, tao->stepdirection);CHKERRQ(ierr);
623a7e14dcfSSatish Balay             ierr = VecScale(tao->stepdirection, -1.0);CHKERRQ(ierr);
624a7e14dcfSSatish Balay 
625a7e14dcfSSatish Balay             bfgsUpdates = 1;
626a7e14dcfSSatish Balay             ++tl->sgrad;
627a7e14dcfSSatish Balay             stepType = NTL_SCALED_GRADIENT;
62853506e15SBarry Smith           } else {
629a7e14dcfSSatish Balay             if (1 == bfgsUpdates) {
630a7e14dcfSSatish Balay               /* The first BFGS direction is always the scaled gradient */
631a7e14dcfSSatish Balay               ++tl->sgrad;
632a7e14dcfSSatish Balay               stepType = NTL_SCALED_GRADIENT;
63353506e15SBarry Smith             } else {
634a7e14dcfSSatish Balay               ++tl->bfgs;
635a7e14dcfSSatish Balay               stepType = NTL_BFGS;
636a7e14dcfSSatish Balay             }
637a7e14dcfSSatish Balay           }
638a7e14dcfSSatish Balay         }
63953506e15SBarry Smith       } else {
640a7e14dcfSSatish Balay         /* Computed Newton step is descent */
641a7e14dcfSSatish Balay         ++tl->newt;
642a7e14dcfSSatish Balay         stepType = NTL_NEWTON;
643a7e14dcfSSatish Balay       }
644a7e14dcfSSatish Balay 
645a7e14dcfSSatish Balay       /* Perform the linesearch */
646a7e14dcfSSatish Balay       fold = f;
647a7e14dcfSSatish Balay       ierr = VecCopy(tao->solution, tl->Xold);CHKERRQ(ierr);
648a7e14dcfSSatish Balay       ierr = VecCopy(tao->gradient, tl->Gold);CHKERRQ(ierr);
649a7e14dcfSSatish Balay 
650a7e14dcfSSatish Balay       step = 1.0;
651a7e14dcfSSatish Balay       ierr = TaoLineSearchApply(tao->linesearch, tao->solution, &f, tao->gradient, tao->stepdirection, &step, &ls_reason);CHKERRQ(ierr);
652a7e14dcfSSatish Balay       ierr = TaoAddLineSearchCounts(tao);CHKERRQ(ierr);
653a7e14dcfSSatish Balay 
65453506e15SBarry Smith       while (ls_reason != TAOLINESEARCH_SUCCESS && ls_reason != TAOLINESEARCH_SUCCESS_USER && stepType != NTL_GRADIENT) {      /* Linesearch failed */
655a7e14dcfSSatish Balay         /* Linesearch failed */
656a7e14dcfSSatish Balay         f = fold;
657a7e14dcfSSatish Balay         ierr = VecCopy(tl->Xold, tao->solution);CHKERRQ(ierr);
658a7e14dcfSSatish Balay         ierr = VecCopy(tl->Gold, tao->gradient);CHKERRQ(ierr);
659a7e14dcfSSatish Balay 
660a7e14dcfSSatish Balay         switch(stepType) {
661a7e14dcfSSatish Balay         case NTL_NEWTON:
662a7e14dcfSSatish Balay           /* Failed to obtain acceptable iterate with Newton step */
663a7e14dcfSSatish Balay 
664a7e14dcfSSatish Balay           if (NTL_PC_BFGS != tl->pc_type) {
665a7e14dcfSSatish Balay             /* We don't have the bfgs matrix around and being updated
666a7e14dcfSSatish Balay                Must use gradient direction in this case */
667a7e14dcfSSatish Balay             ierr = VecCopy(tao->gradient, tao->stepdirection);CHKERRQ(ierr);
668a7e14dcfSSatish Balay             ++tl->grad;
669a7e14dcfSSatish Balay             stepType = NTL_GRADIENT;
67053506e15SBarry Smith           } else {
671a7e14dcfSSatish Balay             /* Attempt to use the BFGS direction */
672a7e14dcfSSatish Balay             ierr = MatLMVMSolve(tl->M, tao->gradient, tao->stepdirection);CHKERRQ(ierr);
673a7e14dcfSSatish Balay 
674a7e14dcfSSatish Balay 
675a7e14dcfSSatish Balay             /* Check for success (descent direction) */
676a7e14dcfSSatish Balay             ierr = VecDot(tao->stepdirection, tao->gradient, &gdx);CHKERRQ(ierr);
677a7e14dcfSSatish Balay             if ((gdx <= 0) || PetscIsInfOrNanReal(gdx)) {
678a7e14dcfSSatish Balay               /* BFGS direction is not descent or direction produced
679a7e14dcfSSatish Balay                  not a number.  We can assert bfgsUpdates > 1 in this case
680a7e14dcfSSatish Balay                  Use steepest descent direction (scaled) */
681a7e14dcfSSatish Balay 
682a7e14dcfSSatish Balay               if (f != 0.0) {
683a7e14dcfSSatish Balay                 delta = 2.0 * PetscAbsScalar(f) / (gnorm*gnorm);
68453506e15SBarry Smith               } else {
685a7e14dcfSSatish Balay                 delta = 2.0 / (gnorm*gnorm);
686a7e14dcfSSatish Balay               }
687a7e14dcfSSatish Balay               ierr = MatLMVMSetDelta(tl->M, delta);CHKERRQ(ierr);
688a7e14dcfSSatish Balay               ierr = MatLMVMReset(tl->M);CHKERRQ(ierr);
689a7e14dcfSSatish Balay               ierr = MatLMVMUpdate(tl->M, tao->solution, tao->gradient);CHKERRQ(ierr);
690a7e14dcfSSatish Balay               ierr = MatLMVMSolve(tl->M, tao->gradient, tao->stepdirection);CHKERRQ(ierr);
691a7e14dcfSSatish Balay 
692a7e14dcfSSatish Balay               bfgsUpdates = 1;
693a7e14dcfSSatish Balay               ++tl->sgrad;
694a7e14dcfSSatish Balay               stepType = NTL_SCALED_GRADIENT;
69553506e15SBarry Smith             } else {
696a7e14dcfSSatish Balay               if (1 == bfgsUpdates) {
697a7e14dcfSSatish Balay                 /* The first BFGS direction is always the scaled gradient */
698a7e14dcfSSatish Balay                 ++tl->sgrad;
699a7e14dcfSSatish Balay                 stepType = NTL_SCALED_GRADIENT;
70053506e15SBarry Smith               } else {
701a7e14dcfSSatish Balay                 ++tl->bfgs;
702a7e14dcfSSatish Balay                 stepType = NTL_BFGS;
703a7e14dcfSSatish Balay               }
704a7e14dcfSSatish Balay             }
705a7e14dcfSSatish Balay           }
706a7e14dcfSSatish Balay           break;
707a7e14dcfSSatish Balay 
708a7e14dcfSSatish Balay         case NTL_BFGS:
709a7e14dcfSSatish Balay           /* Can only enter if pc_type == NTL_PC_BFGS
710a7e14dcfSSatish Balay              Failed to obtain acceptable iterate with BFGS step
711a7e14dcfSSatish Balay              Attempt to use the scaled gradient direction */
712a7e14dcfSSatish Balay 
713a7e14dcfSSatish Balay           if (f != 0.0) {
714a7e14dcfSSatish Balay             delta = 2.0 * PetscAbsScalar(f) / (gnorm*gnorm);
71553506e15SBarry Smith           } else {
716a7e14dcfSSatish Balay             delta = 2.0 / (gnorm*gnorm);
717a7e14dcfSSatish Balay           }
718a7e14dcfSSatish Balay           ierr = MatLMVMSetDelta(tl->M, delta);CHKERRQ(ierr);
719a7e14dcfSSatish Balay           ierr = MatLMVMReset(tl->M);CHKERRQ(ierr);
720a7e14dcfSSatish Balay           ierr = MatLMVMUpdate(tl->M, tao->solution, tao->gradient);CHKERRQ(ierr);
721a7e14dcfSSatish Balay           ierr = MatLMVMSolve(tl->M, tao->gradient, tao->stepdirection);CHKERRQ(ierr);
722a7e14dcfSSatish Balay 
723a7e14dcfSSatish Balay           bfgsUpdates = 1;
724a7e14dcfSSatish Balay           ++tl->sgrad;
725a7e14dcfSSatish Balay           stepType = NTL_SCALED_GRADIENT;
726a7e14dcfSSatish Balay           break;
727a7e14dcfSSatish Balay 
728a7e14dcfSSatish Balay         case NTL_SCALED_GRADIENT:
729a7e14dcfSSatish Balay           /* Can only enter if pc_type == NTL_PC_BFGS
730a7e14dcfSSatish Balay              The scaled gradient step did not produce a new iterate;
731a7e14dcfSSatish Balay              attemp to use the gradient direction.
732a7e14dcfSSatish Balay              Need to make sure we are not using a different diagonal scaling */
733a7e14dcfSSatish Balay           ierr = MatLMVMSetScale(tl->M, tl->Diag);CHKERRQ(ierr);
734a7e14dcfSSatish Balay           ierr = MatLMVMSetDelta(tl->M, 1.0);CHKERRQ(ierr);
735a7e14dcfSSatish Balay           ierr = MatLMVMReset(tl->M);CHKERRQ(ierr);
736a7e14dcfSSatish Balay           ierr = MatLMVMUpdate(tl->M, tao->solution, tao->gradient);CHKERRQ(ierr);
737a7e14dcfSSatish Balay           ierr = MatLMVMSolve(tl->M, tao->gradient, tao->stepdirection);CHKERRQ(ierr);
738a7e14dcfSSatish Balay 
739a7e14dcfSSatish Balay           bfgsUpdates = 1;
740a7e14dcfSSatish Balay           ++tl->grad;
741a7e14dcfSSatish Balay           stepType = NTL_GRADIENT;
742a7e14dcfSSatish Balay           break;
743a7e14dcfSSatish Balay         }
744a7e14dcfSSatish Balay         ierr = VecScale(tao->stepdirection, -1.0);CHKERRQ(ierr);
745a7e14dcfSSatish Balay 
746a7e14dcfSSatish Balay         /* This may be incorrect; linesearch has values for stepmax and stepmin
747a7e14dcfSSatish Balay            that should be reset. */
748a7e14dcfSSatish Balay         step = 1.0;
749a7e14dcfSSatish Balay         ierr = TaoLineSearchApply(tao->linesearch, tao->solution, &f, tao->gradient, tao->stepdirection, &step, &ls_reason);CHKERRQ(ierr);
750a7e14dcfSSatish Balay         ierr = TaoAddLineSearchCounts(tao);CHKERRQ(ierr);
751a7e14dcfSSatish Balay       }
752a7e14dcfSSatish Balay 
75353506e15SBarry Smith       if (ls_reason != TAOLINESEARCH_SUCCESS && ls_reason != TAOLINESEARCH_SUCCESS_USER) {
754a7e14dcfSSatish Balay         /* Failed to find an improving point */
755a7e14dcfSSatish Balay         f = fold;
756a7e14dcfSSatish Balay         ierr = VecCopy(tl->Xold, tao->solution);CHKERRQ(ierr);
757a7e14dcfSSatish Balay         ierr = VecCopy(tl->Gold, tao->gradient);CHKERRQ(ierr);
758a7e14dcfSSatish Balay         tao->trust = 0.0;
759a7e14dcfSSatish Balay         step = 0.0;
760a7e14dcfSSatish Balay         reason = TAO_DIVERGED_LS_FAILURE;
761a7e14dcfSSatish Balay         tao->reason = TAO_DIVERGED_LS_FAILURE;
762a7e14dcfSSatish Balay         break;
76353506e15SBarry Smith       } else if (stepType == NTL_NEWTON) {
764a7e14dcfSSatish Balay         if (step < tl->nu1) {
765a7e14dcfSSatish Balay           /* Very bad step taken; reduce radius */
766a7e14dcfSSatish Balay           tao->trust = tl->omega1 * PetscMin(norm_d, tao->trust);
76753506e15SBarry Smith         } else if (step < tl->nu2) {
768a7e14dcfSSatish Balay           /* Reasonably bad step taken; reduce radius */
769a7e14dcfSSatish Balay           tao->trust = tl->omega2 * PetscMin(norm_d, tao->trust);
77053506e15SBarry Smith         } else if (step < tl->nu3) {
771a7e14dcfSSatish Balay           /* Reasonable step was taken; leave radius alone */
772a7e14dcfSSatish Balay           if (tl->omega3 < 1.0) {
773a7e14dcfSSatish Balay             tao->trust = tl->omega3 * PetscMin(norm_d, tao->trust);
77453506e15SBarry Smith           } else if (tl->omega3 > 1.0) {
775a7e14dcfSSatish Balay             tao->trust = PetscMax(tl->omega3 * norm_d, tao->trust);
776a7e14dcfSSatish Balay           }
77753506e15SBarry Smith         } else if (step < tl->nu4) {
778a7e14dcfSSatish Balay           /* Full step taken; increase the radius */
779a7e14dcfSSatish Balay           tao->trust = PetscMax(tl->omega4 * norm_d, tao->trust);
78053506e15SBarry Smith         } else {
781a7e14dcfSSatish Balay           /* More than full step taken; increase the radius */
782a7e14dcfSSatish Balay           tao->trust = PetscMax(tl->omega5 * norm_d, tao->trust);
783a7e14dcfSSatish Balay         }
78453506e15SBarry Smith       } else {
785a7e14dcfSSatish Balay         /* Newton step was not good; reduce the radius */
786a7e14dcfSSatish Balay         tao->trust = tl->omega1 * PetscMin(norm_d, tao->trust);
787a7e14dcfSSatish Balay       }
78853506e15SBarry Smith     } else {
789a7e14dcfSSatish Balay       /* Trust-region step is accepted */
790a7e14dcfSSatish Balay       ierr = VecCopy(tl->W, tao->solution);CHKERRQ(ierr);
791a7e14dcfSSatish Balay       f = ftrial;
792a7e14dcfSSatish Balay       ierr = TaoComputeGradient(tao, tao->solution, tao->gradient);CHKERRQ(ierr);
793a7e14dcfSSatish Balay       ++tl->ntrust;
794a7e14dcfSSatish Balay     }
795a7e14dcfSSatish Balay 
796a7e14dcfSSatish Balay     /* The radius may have been increased; modify if it is too large */
797a7e14dcfSSatish Balay     tao->trust = PetscMin(tao->trust, tl->max_radius);
798a7e14dcfSSatish Balay 
799e4cb33bbSBarry Smith     /* Check for converged */
800a7e14dcfSSatish Balay     ierr = VecNorm(tao->gradient, NORM_2, &gnorm);CHKERRQ(ierr);
80153506e15SBarry Smith     if (PetscIsInfOrNanReal(f) || PetscIsInfOrNanReal(gnorm)) SETERRQ(PETSC_COMM_SELF,1,"User provided compute function generated Not-a-Number");
802a7e14dcfSSatish Balay     needH = 1;
803a7e14dcfSSatish Balay 
804a7e14dcfSSatish Balay     ierr = TaoMonitor(tao, iter, f, gnorm, 0.0, tao->trust, &reason);CHKERRQ(ierr);
805a7e14dcfSSatish Balay   }
806a7e14dcfSSatish Balay   PetscFunctionReturn(0);
807a7e14dcfSSatish Balay }
808a7e14dcfSSatish Balay 
809a7e14dcfSSatish Balay /* ---------------------------------------------------------- */
810a7e14dcfSSatish Balay #undef __FUNCT__
811a7e14dcfSSatish Balay #define __FUNCT__ "TaoSetUp_NTL"
812441846f8SBarry Smith static PetscErrorCode TaoSetUp_NTL(Tao tao)
813a7e14dcfSSatish Balay {
814a7e14dcfSSatish Balay   TAO_NTL        *tl = (TAO_NTL *)tao->data;
815a7e14dcfSSatish Balay   PetscErrorCode ierr;
816a7e14dcfSSatish Balay 
817a7e14dcfSSatish Balay   PetscFunctionBegin;
818a7e14dcfSSatish Balay   if (!tao->gradient) {ierr = VecDuplicate(tao->solution, &tao->gradient);CHKERRQ(ierr); }
819a7e14dcfSSatish Balay   if (!tao->stepdirection) {ierr = VecDuplicate(tao->solution, &tao->stepdirection);CHKERRQ(ierr);}
820a7e14dcfSSatish Balay   if (!tl->W) { ierr = VecDuplicate(tao->solution, &tl->W);CHKERRQ(ierr);}
821a7e14dcfSSatish Balay   if (!tl->Xold) { ierr = VecDuplicate(tao->solution, &tl->Xold);CHKERRQ(ierr);}
822a7e14dcfSSatish Balay   if (!tl->Gold) { ierr = VecDuplicate(tao->solution, &tl->Gold);CHKERRQ(ierr);}
823a7e14dcfSSatish Balay   tl->Diag = 0;
824a7e14dcfSSatish Balay   tl->M = 0;
825a7e14dcfSSatish Balay   PetscFunctionReturn(0);
826a7e14dcfSSatish Balay }
827a7e14dcfSSatish Balay 
828a7e14dcfSSatish Balay /*------------------------------------------------------------*/
829a7e14dcfSSatish Balay #undef __FUNCT__
830a7e14dcfSSatish Balay #define __FUNCT__ "TaoDestroy_NTL"
831441846f8SBarry Smith static PetscErrorCode TaoDestroy_NTL(Tao tao)
832a7e14dcfSSatish Balay {
833a7e14dcfSSatish Balay   TAO_NTL        *tl = (TAO_NTL *)tao->data;
834a7e14dcfSSatish Balay   PetscErrorCode ierr;
835a7e14dcfSSatish Balay 
836a7e14dcfSSatish Balay   PetscFunctionBegin;
837a7e14dcfSSatish Balay   if (tao->setupcalled) {
838a7e14dcfSSatish Balay     ierr = VecDestroy(&tl->W);CHKERRQ(ierr);
839a7e14dcfSSatish Balay     ierr = VecDestroy(&tl->Xold);CHKERRQ(ierr);
840a7e14dcfSSatish Balay     ierr = VecDestroy(&tl->Gold);CHKERRQ(ierr);
841a7e14dcfSSatish Balay   }
842a7e14dcfSSatish Balay   ierr = VecDestroy(&tl->Diag);CHKERRQ(ierr);
843a7e14dcfSSatish Balay   ierr = MatDestroy(&tl->M);CHKERRQ(ierr);
844a7e14dcfSSatish Balay   ierr = PetscFree(tao->data);CHKERRQ(ierr);
845a7e14dcfSSatish Balay   PetscFunctionReturn(0);
846a7e14dcfSSatish Balay }
847a7e14dcfSSatish Balay 
848a7e14dcfSSatish Balay /*------------------------------------------------------------*/
849a7e14dcfSSatish Balay #undef __FUNCT__
850a7e14dcfSSatish Balay #define __FUNCT__ "TaoSetFromOptions_NTL"
851441846f8SBarry Smith static PetscErrorCode TaoSetFromOptions_NTL(Tao tao)
852a7e14dcfSSatish Balay {
853a7e14dcfSSatish Balay   TAO_NTL        *tl = (TAO_NTL *)tao->data;
854a7e14dcfSSatish Balay   PetscErrorCode ierr;
855a7e14dcfSSatish Balay 
856a7e14dcfSSatish Balay   PetscFunctionBegin;
8571522df2eSJason Sarich   ierr = PetscOptionsHead("Newton trust region with line search method for unconstrained optimization");CHKERRQ(ierr);
858a7e14dcfSSatish Balay   ierr = PetscOptionsEList("-tao_ntl_ksp_type", "ksp type", "", NTL_KSP, NTL_KSP_TYPES, NTL_KSP[tl->ksp_type], &tl->ksp_type, 0);CHKERRQ(ierr);
859a7e14dcfSSatish Balay   ierr = PetscOptionsEList("-tao_ntl_pc_type", "pc type", "", NTL_PC, NTL_PC_TYPES, NTL_PC[tl->pc_type], &tl->pc_type, 0);CHKERRQ(ierr);
860a7e14dcfSSatish Balay   ierr = PetscOptionsEList("-tao_ntl_bfgs_scale_type", "bfgs scale type", "", BFGS_SCALE, BFGS_SCALE_TYPES, BFGS_SCALE[tl->bfgs_scale_type], &tl->bfgs_scale_type, 0);CHKERRQ(ierr);
861a7e14dcfSSatish Balay   ierr = PetscOptionsEList("-tao_ntl_init_type", "radius initialization type", "", NTL_INIT, NTL_INIT_TYPES, NTL_INIT[tl->init_type], &tl->init_type, 0);CHKERRQ(ierr);
862a7e14dcfSSatish Balay   ierr = PetscOptionsEList("-tao_ntl_update_type", "radius update type", "", NTL_UPDATE, NTL_UPDATE_TYPES, NTL_UPDATE[tl->update_type], &tl->update_type, 0);CHKERRQ(ierr);
863a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_eta1", "poor steplength; reduce radius", "", tl->eta1, &tl->eta1, 0);CHKERRQ(ierr);
864a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_eta2", "reasonable steplength; leave radius alone", "", tl->eta2, &tl->eta2, 0);CHKERRQ(ierr);
865a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_eta3", "good steplength; increase radius", "", tl->eta3, &tl->eta3, 0);CHKERRQ(ierr);
866a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_eta4", "excellent steplength; greatly increase radius", "", tl->eta4, &tl->eta4, 0);CHKERRQ(ierr);
867a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_alpha1", "", "", tl->alpha1, &tl->alpha1, 0);CHKERRQ(ierr);
868a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_alpha2", "", "", tl->alpha2, &tl->alpha2, 0);CHKERRQ(ierr);
869a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_alpha3", "", "", tl->alpha3, &tl->alpha3, 0);CHKERRQ(ierr);
870a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_alpha4", "", "", tl->alpha4, &tl->alpha4, 0);CHKERRQ(ierr);
871a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_alpha5", "", "", tl->alpha5, &tl->alpha5, 0);CHKERRQ(ierr);
872a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_nu1", "poor steplength; reduce radius", "", tl->nu1, &tl->nu1, 0);CHKERRQ(ierr);
873a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_nu2", "reasonable steplength; leave radius alone", "", tl->nu2, &tl->nu2, 0);CHKERRQ(ierr);
874a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_nu3", "good steplength; increase radius", "", tl->nu3, &tl->nu3, 0);CHKERRQ(ierr);
875a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_nu4", "excellent steplength; greatly increase radius", "", tl->nu4, &tl->nu4, 0);CHKERRQ(ierr);
876a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_omega1", "", "", tl->omega1, &tl->omega1, 0);CHKERRQ(ierr);
877a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_omega2", "", "", tl->omega2, &tl->omega2, 0);CHKERRQ(ierr);
878a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_omega3", "", "", tl->omega3, &tl->omega3, 0);CHKERRQ(ierr);
879a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_omega4", "", "", tl->omega4, &tl->omega4, 0);CHKERRQ(ierr);
880a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_omega5", "", "", tl->omega5, &tl->omega5, 0);CHKERRQ(ierr);
881a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_mu1_i", "", "", tl->mu1_i, &tl->mu1_i, 0);CHKERRQ(ierr);
882a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_mu2_i", "", "", tl->mu2_i, &tl->mu2_i, 0);CHKERRQ(ierr);
883a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_gamma1_i", "", "", tl->gamma1_i, &tl->gamma1_i, 0);CHKERRQ(ierr);
884a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_gamma2_i", "", "", tl->gamma2_i, &tl->gamma2_i, 0);CHKERRQ(ierr);
885a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_gamma3_i", "", "", tl->gamma3_i, &tl->gamma3_i, 0);CHKERRQ(ierr);
886a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_gamma4_i", "", "", tl->gamma4_i, &tl->gamma4_i, 0);CHKERRQ(ierr);
887a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_theta_i", "", "", tl->theta_i, &tl->theta_i, 0);CHKERRQ(ierr);
888a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_mu1", "", "", tl->mu1, &tl->mu1, 0);CHKERRQ(ierr);
889a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_mu2", "", "", tl->mu2, &tl->mu2, 0);CHKERRQ(ierr);
890a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_gamma1", "", "", tl->gamma1, &tl->gamma1, 0);CHKERRQ(ierr);
891a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_gamma2", "", "", tl->gamma2, &tl->gamma2, 0);CHKERRQ(ierr);
892a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_gamma3", "", "", tl->gamma3, &tl->gamma3, 0);CHKERRQ(ierr);
893a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_gamma4", "", "", tl->gamma4, &tl->gamma4, 0);CHKERRQ(ierr);
894a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_theta", "", "", tl->theta, &tl->theta, 0);CHKERRQ(ierr);
895a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_min_radius", "lower bound on initial radius", "", tl->min_radius, &tl->min_radius, 0);CHKERRQ(ierr);
896a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_max_radius", "upper bound on radius", "", tl->max_radius, &tl->max_radius, 0);CHKERRQ(ierr);
897a7e14dcfSSatish Balay   ierr = PetscOptionsReal("-tao_ntl_epsilon", "tolerance used when computing actual and predicted reduction", "", tl->epsilon, &tl->epsilon, 0);CHKERRQ(ierr);
898a7e14dcfSSatish Balay   ierr = PetscOptionsTail();CHKERRQ(ierr);
899a7e14dcfSSatish Balay   ierr = TaoLineSearchSetFromOptions(tao->linesearch);CHKERRQ(ierr);
900a7e14dcfSSatish Balay   ierr = KSPSetFromOptions(tao->ksp);CHKERRQ(ierr);
901a7e14dcfSSatish Balay   PetscFunctionReturn(0);
902a7e14dcfSSatish Balay }
903a7e14dcfSSatish Balay 
904a7e14dcfSSatish Balay /*------------------------------------------------------------*/
905a7e14dcfSSatish Balay #undef __FUNCT__
906a7e14dcfSSatish Balay #define __FUNCT__ "TaoView_NTL"
907441846f8SBarry Smith static PetscErrorCode TaoView_NTL(Tao tao, PetscViewer viewer)
908a7e14dcfSSatish Balay {
909a7e14dcfSSatish Balay   TAO_NTL        *tl = (TAO_NTL *)tao->data;
910a7e14dcfSSatish Balay   PetscInt       nrejects;
911a7e14dcfSSatish Balay   PetscBool      isascii;
912a7e14dcfSSatish Balay   PetscErrorCode ierr;
913a7e14dcfSSatish Balay 
914a7e14dcfSSatish Balay   PetscFunctionBegin;
915a7e14dcfSSatish Balay   ierr = PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&isascii);CHKERRQ(ierr);
916a7e14dcfSSatish Balay   if (isascii) {
917a7e14dcfSSatish Balay     ierr = PetscViewerASCIIPushTab(viewer);CHKERRQ(ierr);
918a7e14dcfSSatish Balay     if (NTL_PC_BFGS == tl->pc_type && tl->M) {
919a7e14dcfSSatish Balay       ierr = MatLMVMGetRejects(tl->M, &nrejects);CHKERRQ(ierr);
920a7e14dcfSSatish Balay       ierr = PetscViewerASCIIPrintf(viewer, "Rejected matrix updates: %D\n", nrejects);CHKERRQ(ierr);
921a7e14dcfSSatish Balay     }
922a7e14dcfSSatish Balay     ierr = PetscViewerASCIIPrintf(viewer, "Trust-region steps: %D\n", tl->ntrust);CHKERRQ(ierr);
923a7e14dcfSSatish Balay     ierr = PetscViewerASCIIPrintf(viewer, "Newton search steps: %D\n", tl->newt);CHKERRQ(ierr);
924a7e14dcfSSatish Balay     ierr = PetscViewerASCIIPrintf(viewer, "BFGS search steps: %D\n", tl->bfgs);CHKERRQ(ierr);
925a7e14dcfSSatish Balay     ierr = PetscViewerASCIIPrintf(viewer, "Scaled gradient search steps: %D\n", tl->sgrad);CHKERRQ(ierr);
926a7e14dcfSSatish Balay     ierr = PetscViewerASCIIPrintf(viewer, "Gradient search steps: %D\n", tl->grad);CHKERRQ(ierr);
927a7e14dcfSSatish Balay     ierr = PetscViewerASCIIPopTab(viewer);CHKERRQ(ierr);
928a7e14dcfSSatish Balay   }
929a7e14dcfSSatish Balay   PetscFunctionReturn(0);
930a7e14dcfSSatish Balay }
931a7e14dcfSSatish Balay 
932a7e14dcfSSatish Balay /* ---------------------------------------------------------- */
9331522df2eSJason Sarich /*MC
9341522df2eSJason Sarich   TAONTR - Newton's method with trust region and linesearch
9351522df2eSJason Sarich   for unconstrained minimization.
9361522df2eSJason Sarich   At each iteration, the Newton trust region method solves the system for d
9371522df2eSJason Sarich   and performs a line search in the d direction:
9381522df2eSJason Sarich 
9391522df2eSJason Sarich             min_d  .5 dT Hk d + gkT d,  s.t.   ||d|| < Delta_k
9401522df2eSJason Sarich 
9411522df2eSJason Sarich   Options Database Keys:
9421522df2eSJason Sarich + -tao_ntl_ksp_type - "nash","stcg","gltr"
9431522df2eSJason Sarich . -tao_ntl_pc_type - "none","ahess","bfgs","petsc"
9441522df2eSJason Sarich . -tao_ntl_bfgs_scale_type - type of scaling with bfgs pc, "ahess" or "bfgs"
9451522df2eSJason Sarich . -tao_ntl_init_type - "constant","direction","interpolation"
9461522df2eSJason Sarich . -tao_ntl_update_type - "reduction","interpolation"
9471522df2eSJason Sarich . -tao_ntl_min_radius - lower bound on trust region radius
9481522df2eSJason Sarich . -tao_ntl_max_radius - upper bound on trust region radius
9491522df2eSJason Sarich . -tao_ntl_epsilon - tolerance for accepting actual / predicted reduction
9501522df2eSJason Sarich . -tao_ntl_mu1_i - mu1 interpolation init factor
9511522df2eSJason Sarich . -tao_ntl_mu2_i - mu2 interpolation init factor
9521522df2eSJason Sarich . -tao_ntl_gamma1_i - gamma1 interpolation init factor
9531522df2eSJason Sarich . -tao_ntl_gamma2_i - gamma2 interpolation init factor
9541522df2eSJason Sarich . -tao_ntl_gamma3_i - gamma3 interpolation init factor
9551522df2eSJason Sarich . -tao_ntl_gamma4_i - gamma4 interpolation init factor
9561522df2eSJason Sarich . -tao_ntl_theta_i - thetha1 interpolation init factor
9571522df2eSJason Sarich . -tao_ntl_eta1 - eta1 reduction update factor
9581522df2eSJason Sarich . -tao_ntl_eta2 - eta2 reduction update factor
9591522df2eSJason Sarich . -tao_ntl_eta3 - eta3 reduction update factor
9601522df2eSJason Sarich . -tao_ntl_eta4 - eta4 reduction update factor
9611522df2eSJason Sarich . -tao_ntl_alpha1 - alpha1 reduction update factor
9621522df2eSJason Sarich . -tao_ntl_alpha2 - alpha2 reduction update factor
9631522df2eSJason Sarich . -tao_ntl_alpha3 - alpha3 reduction update factor
9641522df2eSJason Sarich . -tao_ntl_alpha4 - alpha4 reduction update factor
9651522df2eSJason Sarich . -tao_ntl_alpha4 - alpha4 reduction update factor
9661522df2eSJason Sarich . -tao_ntl_mu1 - mu1 interpolation update
9671522df2eSJason Sarich . -tao_ntl_mu2 - mu2 interpolation update
9681522df2eSJason Sarich . -tao_ntl_gamma1 - gamma1 interpolcation update
9691522df2eSJason Sarich . -tao_ntl_gamma2 - gamma2 interpolcation update
9701522df2eSJason Sarich . -tao_ntl_gamma3 - gamma3 interpolcation update
9711522df2eSJason Sarich . -tao_ntl_gamma4 - gamma4 interpolation update
9721522df2eSJason Sarich - -tao_ntl_theta - theta1 interpolation update
9731522df2eSJason Sarich 
9741eb8069cSJason Sarich   Level: beginner
9751522df2eSJason Sarich M*/
9761522df2eSJason Sarich 
977a7e14dcfSSatish Balay #undef __FUNCT__
978a7e14dcfSSatish Balay #define __FUNCT__ "TaoCreate_NTL"
979728e0ed0SBarry Smith PETSC_EXTERN PetscErrorCode TaoCreate_NTL(Tao tao)
980a7e14dcfSSatish Balay {
981a7e14dcfSSatish Balay   TAO_NTL        *tl;
982a7e14dcfSSatish Balay   PetscErrorCode ierr;
9838caf6e8cSBarry Smith   const char     *morethuente_type = TAOLINESEARCHMT;
98453506e15SBarry Smith 
985a7e14dcfSSatish Balay   PetscFunctionBegin;
9863c9e27cfSGeoffrey Irving   ierr = PetscNewLog(tao,&tl);CHKERRQ(ierr);
987a7e14dcfSSatish Balay   tao->ops->setup = TaoSetUp_NTL;
988a7e14dcfSSatish Balay   tao->ops->solve = TaoSolve_NTL;
989a7e14dcfSSatish Balay   tao->ops->view = TaoView_NTL;
990a7e14dcfSSatish Balay   tao->ops->setfromoptions = TaoSetFromOptions_NTL;
991a7e14dcfSSatish Balay   tao->ops->destroy = TaoDestroy_NTL;
992a7e14dcfSSatish Balay 
993a7e14dcfSSatish Balay   tao->max_it = 50;
9946f4723b1SBarry Smith #if defined(PETSC_USE_REAL_SINGLE)
9956f4723b1SBarry Smith   tao->fatol = 1e-5;
9966f4723b1SBarry Smith   tao->frtol = 1e-5;
9976f4723b1SBarry Smith #else
998a7e14dcfSSatish Balay   tao->fatol = 1e-10;
999a7e14dcfSSatish Balay   tao->frtol = 1e-10;
10006f4723b1SBarry Smith #endif
1001a7e14dcfSSatish Balay   tao->data = (void*)tl;
1002a7e14dcfSSatish Balay 
1003a7e14dcfSSatish Balay   tao->trust0 = 100.0;
1004a7e14dcfSSatish Balay 
1005a7e14dcfSSatish Balay 
1006a7e14dcfSSatish Balay   /* Default values for trust-region radius update based on steplength */
1007a7e14dcfSSatish Balay   tl->nu1 = 0.25;
1008a7e14dcfSSatish Balay   tl->nu2 = 0.50;
1009a7e14dcfSSatish Balay   tl->nu3 = 1.00;
1010a7e14dcfSSatish Balay   tl->nu4 = 1.25;
1011a7e14dcfSSatish Balay 
1012a7e14dcfSSatish Balay   tl->omega1 = 0.25;
1013a7e14dcfSSatish Balay   tl->omega2 = 0.50;
1014a7e14dcfSSatish Balay   tl->omega3 = 1.00;
1015a7e14dcfSSatish Balay   tl->omega4 = 2.00;
1016a7e14dcfSSatish Balay   tl->omega5 = 4.00;
1017a7e14dcfSSatish Balay 
1018a7e14dcfSSatish Balay   /* Default values for trust-region radius update based on reduction */
1019a7e14dcfSSatish Balay   tl->eta1 = 1.0e-4;
1020a7e14dcfSSatish Balay   tl->eta2 = 0.25;
1021a7e14dcfSSatish Balay   tl->eta3 = 0.50;
1022a7e14dcfSSatish Balay   tl->eta4 = 0.90;
1023a7e14dcfSSatish Balay 
1024a7e14dcfSSatish Balay   tl->alpha1 = 0.25;
1025a7e14dcfSSatish Balay   tl->alpha2 = 0.50;
1026a7e14dcfSSatish Balay   tl->alpha3 = 1.00;
1027a7e14dcfSSatish Balay   tl->alpha4 = 2.00;
1028a7e14dcfSSatish Balay   tl->alpha5 = 4.00;
1029a7e14dcfSSatish Balay 
1030a7e14dcfSSatish Balay   /* Default values for trust-region radius update based on interpolation */
1031a7e14dcfSSatish Balay   tl->mu1 = 0.10;
1032a7e14dcfSSatish Balay   tl->mu2 = 0.50;
1033a7e14dcfSSatish Balay 
1034a7e14dcfSSatish Balay   tl->gamma1 = 0.25;
1035a7e14dcfSSatish Balay   tl->gamma2 = 0.50;
1036a7e14dcfSSatish Balay   tl->gamma3 = 2.00;
1037a7e14dcfSSatish Balay   tl->gamma4 = 4.00;
1038a7e14dcfSSatish Balay 
1039a7e14dcfSSatish Balay   tl->theta = 0.05;
1040a7e14dcfSSatish Balay 
1041a7e14dcfSSatish Balay   /* Default values for trust region initialization based on interpolation */
1042a7e14dcfSSatish Balay   tl->mu1_i = 0.35;
1043a7e14dcfSSatish Balay   tl->mu2_i = 0.50;
1044a7e14dcfSSatish Balay 
1045a7e14dcfSSatish Balay   tl->gamma1_i = 0.0625;
1046a7e14dcfSSatish Balay   tl->gamma2_i = 0.5;
1047a7e14dcfSSatish Balay   tl->gamma3_i = 2.0;
1048a7e14dcfSSatish Balay   tl->gamma4_i = 5.0;
1049a7e14dcfSSatish Balay 
1050a7e14dcfSSatish Balay   tl->theta_i = 0.25;
1051a7e14dcfSSatish Balay 
1052a7e14dcfSSatish Balay   /* Remaining parameters */
1053a7e14dcfSSatish Balay   tl->min_radius = 1.0e-10;
1054a7e14dcfSSatish Balay   tl->max_radius = 1.0e10;
1055a7e14dcfSSatish Balay   tl->epsilon = 1.0e-6;
1056a7e14dcfSSatish Balay 
1057a7e14dcfSSatish Balay   tl->ksp_type        = NTL_KSP_STCG;
1058a7e14dcfSSatish Balay   tl->pc_type         = NTL_PC_BFGS;
1059a7e14dcfSSatish Balay   tl->bfgs_scale_type = BFGS_SCALE_AHESS;
1060a7e14dcfSSatish Balay   tl->init_type       = NTL_INIT_INTERPOLATION;
1061a7e14dcfSSatish Balay   tl->update_type     = NTL_UPDATE_REDUCTION;
1062a7e14dcfSSatish Balay 
1063a7e14dcfSSatish Balay   ierr = TaoLineSearchCreate(((PetscObject)tao)->comm, &tao->linesearch);CHKERRQ(ierr);
1064a7e14dcfSSatish Balay   ierr = TaoLineSearchSetType(tao->linesearch, morethuente_type);CHKERRQ(ierr);
1065441846f8SBarry Smith   ierr = TaoLineSearchUseTaoRoutines(tao->linesearch, tao);CHKERRQ(ierr);
1066a7e14dcfSSatish Balay   ierr = KSPCreate(((PetscObject)tao)->comm, &tao->ksp);CHKERRQ(ierr);
1067a7e14dcfSSatish Balay   PetscFunctionReturn(0);
1068a7e14dcfSSatish Balay }
1069728e0ed0SBarry Smith 
1070a7e14dcfSSatish Balay 
1071a7e14dcfSSatish Balay 
1072a7e14dcfSSatish Balay 
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