xref: /petsc/src/tao/unconstrained/impls/ntl/ntl.c (revision 63b1541575edd3f8a34e081896782a8d7a30de53)
1aaa7dc30SBarry Smith #include <../src/tao/matrix/lmvmmat.h>
255119615STodd Munson #include <../src/tao/unconstrained/impls/ntl/ntlimpl.h>
3a7e14dcfSSatish Balay 
4aaa7dc30SBarry Smith #include <petscksp.h>
5a7e14dcfSSatish Balay 
6a7e14dcfSSatish Balay #define NTL_PC_NONE     0
7a7e14dcfSSatish Balay #define NTL_PC_AHESS    1
8a7e14dcfSSatish Balay #define NTL_PC_BFGS     2
9a7e14dcfSSatish Balay #define NTL_PC_PETSC    3
10a7e14dcfSSatish Balay #define NTL_PC_TYPES    4
11a7e14dcfSSatish Balay 
12a7e14dcfSSatish Balay #define BFGS_SCALE_AHESS        0
13a7e14dcfSSatish Balay #define BFGS_SCALE_BFGS         1
14a7e14dcfSSatish Balay #define BFGS_SCALE_TYPES        2
15a7e14dcfSSatish Balay 
16a7e14dcfSSatish Balay #define NTL_INIT_CONSTANT         0
17a7e14dcfSSatish Balay #define NTL_INIT_DIRECTION        1
18a7e14dcfSSatish Balay #define NTL_INIT_INTERPOLATION    2
19a7e14dcfSSatish Balay #define NTL_INIT_TYPES            3
20a7e14dcfSSatish Balay 
21a7e14dcfSSatish Balay #define NTL_UPDATE_REDUCTION      0
22a7e14dcfSSatish Balay #define NTL_UPDATE_INTERPOLATION  1
23a7e14dcfSSatish Balay #define NTL_UPDATE_TYPES          2
24a7e14dcfSSatish Balay 
2587f595a5SBarry Smith static const char *NTL_PC[64] = {"none","ahess","bfgs","petsc"};
26a7e14dcfSSatish Balay 
2787f595a5SBarry Smith static const char *BFGS_SCALE[64] = {"ahess","bfgs"};
28a7e14dcfSSatish Balay 
2987f595a5SBarry Smith static const char *NTL_INIT[64] = {"constant","direction","interpolation"};
30a7e14dcfSSatish Balay 
3187f595a5SBarry Smith static const char *NTL_UPDATE[64] = {"reduction","interpolation"};
32a7e14dcfSSatish Balay 
33a7e14dcfSSatish Balay /* Routine for BFGS preconditioner */
34a7e14dcfSSatish Balay 
35a7e14dcfSSatish Balay static PetscErrorCode MatLMVMSolveShell(PC pc, Vec b, Vec x)
36a7e14dcfSSatish Balay {
37a7e14dcfSSatish Balay   PetscErrorCode ierr;
38a7e14dcfSSatish Balay   Mat            M;
39a7e14dcfSSatish Balay 
40a7e14dcfSSatish Balay   PetscFunctionBegin;
41a7e14dcfSSatish Balay   PetscValidHeaderSpecific(pc,PC_CLASSID,1);
42a7e14dcfSSatish Balay   PetscValidHeaderSpecific(b,VEC_CLASSID,2);
43a7e14dcfSSatish Balay   PetscValidHeaderSpecific(x,VEC_CLASSID,3);
44a7e14dcfSSatish Balay   ierr = PCShellGetContext(pc,(void**)&M);CHKERRQ(ierr);
45a7e14dcfSSatish Balay   ierr = MatLMVMSolve(M, b, x);CHKERRQ(ierr);
46a7e14dcfSSatish Balay   PetscFunctionReturn(0);
47a7e14dcfSSatish Balay }
48a7e14dcfSSatish Balay 
49a7e14dcfSSatish Balay /* Implements Newton's Method with a trust-region, line-search approach for
50a7e14dcfSSatish Balay    solving unconstrained minimization problems.  A More'-Thuente line search
51a7e14dcfSSatish Balay    is used to guarantee that the bfgs preconditioner remains positive
52a7e14dcfSSatish Balay    definite. */
53a7e14dcfSSatish Balay 
54a7e14dcfSSatish Balay #define NTL_NEWTON              0
55a7e14dcfSSatish Balay #define NTL_BFGS                1
56a7e14dcfSSatish Balay #define NTL_SCALED_GRADIENT     2
57a7e14dcfSSatish Balay #define NTL_GRADIENT            3
58a7e14dcfSSatish Balay 
59441846f8SBarry Smith static PetscErrorCode TaoSolve_NTL(Tao tao)
60a7e14dcfSSatish Balay {
61a7e14dcfSSatish Balay   TAO_NTL                      *tl = (TAO_NTL *)tao->data;
6255119615STodd Munson   KSPType                      ksp_type;
6355119615STodd Munson   PetscBool                    is_nash,is_stcg,is_gltr;
64a7e14dcfSSatish Balay   KSPConvergedReason           ksp_reason;
6555119615STodd Munson   PC                           pc;
66e4cb33bbSBarry Smith   TaoConvergedReason           reason;
67e4cb33bbSBarry Smith   TaoLineSearchConvergedReason ls_reason;
68a7e14dcfSSatish Balay 
69a7e14dcfSSatish Balay   PetscReal                    fmin, ftrial, prered, actred, kappa, sigma;
70a7e14dcfSSatish Balay   PetscReal                    tau, tau_1, tau_2, tau_max, tau_min, max_radius;
71a7e14dcfSSatish Balay   PetscReal                    f, fold, gdx, gnorm;
72a7e14dcfSSatish Balay   PetscReal                    step = 1.0;
73a7e14dcfSSatish Balay 
74a7e14dcfSSatish Balay   PetscReal                    delta;
75a7e14dcfSSatish Balay   PetscReal                    norm_d = 0.0;
76a7e14dcfSSatish Balay   PetscErrorCode               ierr;
77a7e14dcfSSatish Balay   PetscInt                     stepType;
788931d482SJason Sarich   PetscInt                     its;
79a7e14dcfSSatish Balay 
80a7e14dcfSSatish Balay   PetscInt                     bfgsUpdates = 0;
81a7e14dcfSSatish Balay   PetscInt                     needH;
82a7e14dcfSSatish Balay 
83a7e14dcfSSatish Balay   PetscInt                     i_max = 5;
84a7e14dcfSSatish Balay   PetscInt                     j_max = 1;
85a7e14dcfSSatish Balay   PetscInt                     i, j, n, N;
86a7e14dcfSSatish Balay 
87a7e14dcfSSatish Balay   PetscInt                     tr_reject;
88a7e14dcfSSatish Balay 
89a7e14dcfSSatish Balay   PetscFunctionBegin;
90a7e14dcfSSatish Balay   if (tao->XL || tao->XU || tao->ops->computebounds) {
91a7e14dcfSSatish Balay     ierr = PetscPrintf(((PetscObject)tao)->comm,"WARNING: Variable bounds have been set but will be ignored by ntl algorithm\n");CHKERRQ(ierr);
92a7e14dcfSSatish Balay   }
93a7e14dcfSSatish Balay 
9455119615STodd Munson   ierr = KSPGetType(tao->ksp,&ksp_type);CHKERRQ(ierr);
9555119615STodd Munson   ierr = PetscStrcmp(ksp_type,KSPCGNASH,&is_nash);CHKERRQ(ierr);
9655119615STodd Munson   ierr = PetscStrcmp(ksp_type,KSPCGSTCG,&is_stcg);CHKERRQ(ierr);
9755119615STodd Munson   ierr = PetscStrcmp(ksp_type,KSPCGGLTR,&is_gltr);CHKERRQ(ierr);
9855119615STodd Munson   if (!is_nash && !is_stcg && !is_gltr) {
9955119615STodd Munson     SETERRQ(PETSC_COMM_SELF,1,"TAO_NTR requires nash, stcg, or gltr for the KSP");
10055119615STodd Munson   }
101a7e14dcfSSatish Balay 
10255119615STodd Munson   /* Initialize the radius and modify if it is too large or small */
10355119615STodd Munson   tao->trust = tao->trust0;
104a7e14dcfSSatish Balay   tao->trust = PetscMax(tao->trust, tl->min_radius);
105a7e14dcfSSatish Balay   tao->trust = PetscMin(tao->trust, tl->max_radius);
106a7e14dcfSSatish Balay 
107a7e14dcfSSatish Balay   if (NTL_PC_BFGS == tl->pc_type && !tl->M) {
108a7e14dcfSSatish Balay     ierr = VecGetLocalSize(tao->solution,&n);CHKERRQ(ierr);
109a7e14dcfSSatish Balay     ierr = VecGetSize(tao->solution,&N);CHKERRQ(ierr);
110a7e14dcfSSatish Balay     ierr = MatCreateLMVM(((PetscObject)tao)->comm,n,N,&tl->M);CHKERRQ(ierr);
111a7e14dcfSSatish Balay     ierr = MatLMVMAllocateVectors(tl->M,tao->solution);CHKERRQ(ierr);
112a7e14dcfSSatish Balay   }
113a7e14dcfSSatish Balay 
114a7e14dcfSSatish Balay   /* Check convergence criteria */
115a7e14dcfSSatish Balay   ierr = TaoComputeObjectiveAndGradient(tao, tao->solution, &f, tao->gradient);CHKERRQ(ierr);
116a7e14dcfSSatish Balay   ierr = VecNorm(tao->gradient, NORM_2, &gnorm);CHKERRQ(ierr);
11753506e15SBarry Smith   if (PetscIsInfOrNanReal(f) || PetscIsInfOrNanReal(gnorm)) SETERRQ(PETSC_COMM_SELF,1, "User provided compute function generated Inf or NaN");
118a7e14dcfSSatish Balay   needH = 1;
119a7e14dcfSSatish Balay 
1208931d482SJason Sarich   ierr = TaoMonitor(tao, tao->niter, f, gnorm, 0.0, 1.0, &reason);CHKERRQ(ierr);
12153506e15SBarry Smith   if (reason != TAO_CONTINUE_ITERATING) PetscFunctionReturn(0);
122a7e14dcfSSatish Balay 
123a7e14dcfSSatish Balay   /* Create vectors for the limited memory preconditioner */
12453506e15SBarry Smith   if ((NTL_PC_BFGS == tl->pc_type) && (BFGS_SCALE_BFGS != tl->bfgs_scale_type)) {
125a7e14dcfSSatish Balay     if (!tl->Diag) {
126a7e14dcfSSatish Balay       ierr = VecDuplicate(tao->solution, &tl->Diag);CHKERRQ(ierr);
127a7e14dcfSSatish Balay     }
128a7e14dcfSSatish Balay   }
129a7e14dcfSSatish Balay 
130a7e14dcfSSatish Balay   /* Modify the preconditioner to use the bfgs approximation */
131a7e14dcfSSatish Balay   ierr = KSPGetPC(tao->ksp, &pc);CHKERRQ(ierr);
132a7e14dcfSSatish Balay   switch(tl->pc_type) {
133a7e14dcfSSatish Balay   case NTL_PC_NONE:
134a7e14dcfSSatish Balay     ierr = PCSetType(pc, PCNONE);CHKERRQ(ierr);
1351a1499c8SBarry Smith     ierr = PCSetFromOptions(pc);CHKERRQ(ierr);
136a7e14dcfSSatish Balay     break;
137a7e14dcfSSatish Balay 
138a7e14dcfSSatish Balay   case NTL_PC_AHESS:
139a7e14dcfSSatish Balay     ierr = PCSetType(pc, PCJACOBI);CHKERRQ(ierr);
1401a1499c8SBarry Smith     ierr = PCSetFromOptions(pc);CHKERRQ(ierr);
141baa89ecbSBarry Smith     ierr = PCJacobiSetUseAbs(pc,PETSC_TRUE);CHKERRQ(ierr);
142a7e14dcfSSatish Balay     break;
143a7e14dcfSSatish Balay 
144a7e14dcfSSatish Balay   case NTL_PC_BFGS:
145a7e14dcfSSatish Balay     ierr = PCSetType(pc, PCSHELL);CHKERRQ(ierr);
1461a1499c8SBarry Smith     ierr = PCSetFromOptions(pc);CHKERRQ(ierr);
147a7e14dcfSSatish Balay     ierr = PCShellSetName(pc, "bfgs");CHKERRQ(ierr);
148a7e14dcfSSatish Balay     ierr = PCShellSetContext(pc, tl->M);CHKERRQ(ierr);
149a7e14dcfSSatish Balay     ierr = PCShellSetApply(pc, MatLMVMSolveShell);CHKERRQ(ierr);
150a7e14dcfSSatish Balay     break;
151a7e14dcfSSatish Balay 
152a7e14dcfSSatish Balay   default:
153a7e14dcfSSatish Balay     /* Use the pc method set by pc_type */
154a7e14dcfSSatish Balay     break;
155a7e14dcfSSatish Balay   }
156a7e14dcfSSatish Balay 
15755119615STodd Munson   /* Initialize trust-region radius */
158a7e14dcfSSatish Balay   switch(tl->init_type) {
159a7e14dcfSSatish Balay   case NTL_INIT_CONSTANT:
160a7e14dcfSSatish Balay     /* Use the initial radius specified */
161a7e14dcfSSatish Balay     break;
162a7e14dcfSSatish Balay 
163a7e14dcfSSatish Balay   case NTL_INIT_INTERPOLATION:
164a7e14dcfSSatish Balay     /* Use the initial radius specified */
165a7e14dcfSSatish Balay     max_radius = 0.0;
166a7e14dcfSSatish Balay 
167a7e14dcfSSatish Balay     for (j = 0; j < j_max; ++j) {
168a7e14dcfSSatish Balay       fmin = f;
169a7e14dcfSSatish Balay       sigma = 0.0;
170a7e14dcfSSatish Balay 
171a7e14dcfSSatish Balay       if (needH) {
172ffad9901SBarry Smith         ierr = TaoComputeHessian(tao,tao->solution,tao->hessian,tao->hessian_pre);CHKERRQ(ierr);
173a7e14dcfSSatish Balay         needH = 0;
174a7e14dcfSSatish Balay       }
175a7e14dcfSSatish Balay 
176a7e14dcfSSatish Balay       for (i = 0; i < i_max; ++i) {
177a7e14dcfSSatish Balay         ierr = VecCopy(tao->solution, tl->W);CHKERRQ(ierr);
178a7e14dcfSSatish Balay         ierr = VecAXPY(tl->W, -tao->trust/gnorm, tao->gradient);CHKERRQ(ierr);
179a7e14dcfSSatish Balay 
180a7e14dcfSSatish Balay         ierr = TaoComputeObjective(tao, tl->W, &ftrial);CHKERRQ(ierr);
181a7e14dcfSSatish Balay         if (PetscIsInfOrNanReal(ftrial)) {
182a7e14dcfSSatish Balay           tau = tl->gamma1_i;
18353506e15SBarry Smith         } else {
184a7e14dcfSSatish Balay           if (ftrial < fmin) {
185a7e14dcfSSatish Balay             fmin = ftrial;
186a7e14dcfSSatish Balay             sigma = -tao->trust / gnorm;
187a7e14dcfSSatish Balay           }
188a7e14dcfSSatish Balay 
189a7e14dcfSSatish Balay           ierr = MatMult(tao->hessian, tao->gradient, tao->stepdirection);CHKERRQ(ierr);
190a7e14dcfSSatish Balay           ierr = VecDot(tao->gradient, tao->stepdirection, &prered);CHKERRQ(ierr);
191a7e14dcfSSatish Balay 
192a7e14dcfSSatish Balay           prered = tao->trust * (gnorm - 0.5 * tao->trust * prered / (gnorm * gnorm));
193a7e14dcfSSatish Balay           actred = f - ftrial;
19453506e15SBarry Smith           if ((PetscAbsScalar(actred) <= tl->epsilon) && (PetscAbsScalar(prered) <= tl->epsilon)) {
195a7e14dcfSSatish Balay             kappa = 1.0;
19653506e15SBarry Smith           } else {
197a7e14dcfSSatish Balay             kappa = actred / prered;
198a7e14dcfSSatish Balay           }
199a7e14dcfSSatish Balay 
200a7e14dcfSSatish Balay           tau_1 = tl->theta_i * gnorm * tao->trust / (tl->theta_i * gnorm * tao->trust + (1.0 - tl->theta_i) * prered - actred);
201a7e14dcfSSatish Balay           tau_2 = tl->theta_i * gnorm * tao->trust / (tl->theta_i * gnorm * tao->trust - (1.0 + tl->theta_i) * prered + actred);
202a7e14dcfSSatish Balay           tau_min = PetscMin(tau_1, tau_2);
203a7e14dcfSSatish Balay           tau_max = PetscMax(tau_1, tau_2);
204a7e14dcfSSatish Balay 
205a7e14dcfSSatish Balay           if (PetscAbsScalar(kappa - 1.0) <= tl->mu1_i) {
206a7e14dcfSSatish Balay             /* Great agreement */
207a7e14dcfSSatish Balay             max_radius = PetscMax(max_radius, tao->trust);
208a7e14dcfSSatish Balay 
209a7e14dcfSSatish Balay             if (tau_max < 1.0) {
210a7e14dcfSSatish Balay               tau = tl->gamma3_i;
21153506e15SBarry Smith             } else if (tau_max > tl->gamma4_i) {
212a7e14dcfSSatish Balay               tau = tl->gamma4_i;
21353506e15SBarry Smith             } else if (tau_1 >= 1.0 && tau_1 <= tl->gamma4_i && tau_2 < 1.0) {
214a7e14dcfSSatish Balay               tau = tau_1;
21553506e15SBarry Smith             } else if (tau_2 >= 1.0 && tau_2 <= tl->gamma4_i && tau_1 < 1.0) {
216a7e14dcfSSatish Balay               tau = tau_2;
21753506e15SBarry Smith             } else {
218a7e14dcfSSatish Balay               tau = tau_max;
219a7e14dcfSSatish Balay             }
22053506e15SBarry Smith           } else if (PetscAbsScalar(kappa - 1.0) <= tl->mu2_i) {
221a7e14dcfSSatish Balay             /* Good agreement */
222a7e14dcfSSatish Balay             max_radius = PetscMax(max_radius, tao->trust);
223a7e14dcfSSatish Balay 
224a7e14dcfSSatish Balay             if (tau_max < tl->gamma2_i) {
225a7e14dcfSSatish Balay               tau = tl->gamma2_i;
22653506e15SBarry Smith             } else if (tau_max > tl->gamma3_i) {
227a7e14dcfSSatish Balay               tau = tl->gamma3_i;
22853506e15SBarry Smith             } else {
229a7e14dcfSSatish Balay               tau = tau_max;
230a7e14dcfSSatish Balay             }
23153506e15SBarry Smith           } else {
232a7e14dcfSSatish Balay             /* Not good agreement */
233a7e14dcfSSatish Balay             if (tau_min > 1.0) {
234a7e14dcfSSatish Balay               tau = tl->gamma2_i;
23553506e15SBarry Smith             } else if (tau_max < tl->gamma1_i) {
236a7e14dcfSSatish Balay               tau = tl->gamma1_i;
23753506e15SBarry Smith             } else if ((tau_min < tl->gamma1_i) && (tau_max >= 1.0)) {
238a7e14dcfSSatish Balay               tau = tl->gamma1_i;
23953506e15SBarry Smith             } else if ((tau_1 >= tl->gamma1_i) && (tau_1 < 1.0) &&  ((tau_2 < tl->gamma1_i) || (tau_2 >= 1.0))) {
240a7e14dcfSSatish Balay               tau = tau_1;
24153506e15SBarry Smith             } else if ((tau_2 >= tl->gamma1_i) && (tau_2 < 1.0) &&  ((tau_1 < tl->gamma1_i) || (tau_2 >= 1.0))) {
242a7e14dcfSSatish Balay               tau = tau_2;
24353506e15SBarry Smith             } else {
244a7e14dcfSSatish Balay               tau = tau_max;
245a7e14dcfSSatish Balay             }
246a7e14dcfSSatish Balay           }
247a7e14dcfSSatish Balay         }
248a7e14dcfSSatish Balay         tao->trust = tau * tao->trust;
249a7e14dcfSSatish Balay       }
250a7e14dcfSSatish Balay 
251a7e14dcfSSatish Balay       if (fmin < f) {
252a7e14dcfSSatish Balay         f = fmin;
253a7e14dcfSSatish Balay         ierr = VecAXPY(tao->solution, sigma, tao->gradient);CHKERRQ(ierr);
254a7e14dcfSSatish Balay         ierr = TaoComputeGradient(tao, tao->solution, tao->gradient);CHKERRQ(ierr);
255a7e14dcfSSatish Balay 
256a7e14dcfSSatish Balay         ierr = VecNorm(tao->gradient, NORM_2, &gnorm);CHKERRQ(ierr);
25753506e15SBarry Smith         if (PetscIsInfOrNanReal(f) || PetscIsInfOrNanReal(gnorm)) SETERRQ(PETSC_COMM_SELF,1, "User provided compute function generated Inf or NaN");
258a7e14dcfSSatish Balay         needH = 1;
259a7e14dcfSSatish Balay 
2608931d482SJason Sarich         ierr = TaoMonitor(tao, tao->niter, f, gnorm, 0.0, 1.0, &reason);CHKERRQ(ierr);
26153506e15SBarry Smith         if (reason != TAO_CONTINUE_ITERATING) PetscFunctionReturn(0);
262a7e14dcfSSatish Balay       }
263a7e14dcfSSatish Balay     }
264a7e14dcfSSatish Balay     tao->trust = PetscMax(tao->trust, max_radius);
265a7e14dcfSSatish Balay 
266a7e14dcfSSatish Balay     /* Modify the radius if it is too large or small */
267a7e14dcfSSatish Balay     tao->trust = PetscMax(tao->trust, tl->min_radius);
268a7e14dcfSSatish Balay     tao->trust = PetscMin(tao->trust, tl->max_radius);
269a7e14dcfSSatish Balay     break;
270a7e14dcfSSatish Balay 
271a7e14dcfSSatish Balay   default:
272a7e14dcfSSatish Balay     /* Norm of the first direction will initialize radius */
273a7e14dcfSSatish Balay     tao->trust = 0.0;
274a7e14dcfSSatish Balay     break;
275a7e14dcfSSatish Balay   }
276a7e14dcfSSatish Balay 
277a7e14dcfSSatish Balay   /* Set initial scaling for the BFGS preconditioner
278a7e14dcfSSatish Balay      This step is done after computing the initial trust-region radius
279a7e14dcfSSatish Balay      since the function value may have decreased */
280a7e14dcfSSatish Balay   if (NTL_PC_BFGS == tl->pc_type) {
281a7e14dcfSSatish Balay     if (f != 0.0) {
282a7e14dcfSSatish Balay       delta = 2.0 * PetscAbsScalar(f) / (gnorm*gnorm);
28353506e15SBarry Smith     } else {
284a7e14dcfSSatish Balay       delta = 2.0 / (gnorm*gnorm);
285a7e14dcfSSatish Balay     }
286a7e14dcfSSatish Balay     ierr = MatLMVMSetDelta(tl->M, delta);CHKERRQ(ierr);
287a7e14dcfSSatish Balay   }
288a7e14dcfSSatish Balay 
289a7e14dcfSSatish Balay   /* Set counter for gradient/reset steps */
290a7e14dcfSSatish Balay   tl->ntrust = 0;
291a7e14dcfSSatish Balay   tl->newt = 0;
292a7e14dcfSSatish Balay   tl->bfgs = 0;
293a7e14dcfSSatish Balay   tl->sgrad = 0;
294a7e14dcfSSatish Balay   tl->grad = 0;
295a7e14dcfSSatish Balay 
296a7e14dcfSSatish Balay   /* Have not converged; continue with Newton method */
297a7e14dcfSSatish Balay   while (reason == TAO_CONTINUE_ITERATING) {
2988931d482SJason Sarich     ++tao->niter;
299ae93cb3cSJason Sarich     tao->ksp_its=0;
300a7e14dcfSSatish Balay     /* Compute the Hessian */
301a7e14dcfSSatish Balay     if (needH) {
302ffad9901SBarry Smith       ierr = TaoComputeHessian(tao,tao->solution,tao->hessian,tao->hessian_pre);CHKERRQ(ierr);
303a7e14dcfSSatish Balay     }
304a7e14dcfSSatish Balay 
305a7e14dcfSSatish Balay     if (NTL_PC_BFGS == tl->pc_type) {
306a7e14dcfSSatish Balay       if (BFGS_SCALE_AHESS == tl->bfgs_scale_type) {
307a7e14dcfSSatish Balay         /* Obtain diagonal for the bfgs preconditioner */
308a7e14dcfSSatish Balay         ierr = MatGetDiagonal(tao->hessian, tl->Diag);CHKERRQ(ierr);
309a7e14dcfSSatish Balay         ierr = VecAbs(tl->Diag);CHKERRQ(ierr);
310a7e14dcfSSatish Balay         ierr = VecReciprocal(tl->Diag);CHKERRQ(ierr);
311a7e14dcfSSatish Balay         ierr = MatLMVMSetScale(tl->M, tl->Diag);CHKERRQ(ierr);
312a7e14dcfSSatish Balay       }
313a7e14dcfSSatish Balay 
314a7e14dcfSSatish Balay       /* Update the limited memory preconditioner */
315a7e14dcfSSatish Balay       ierr = MatLMVMUpdate(tl->M,tao->solution, tao->gradient);CHKERRQ(ierr);
316a7e14dcfSSatish Balay       ++bfgsUpdates;
317a7e14dcfSSatish Balay     }
31823ee1639SBarry Smith     ierr = KSPSetOperators(tao->ksp, tao->hessian, tao->hessian_pre);CHKERRQ(ierr);
319a7e14dcfSSatish Balay     /* Solve the Newton system of equations */
320ba7fe8fbSTodd Munson     ierr = KSPCGSetRadius(tao->ksp,tl->max_radius);CHKERRQ(ierr);
321a7e14dcfSSatish Balay     ierr = KSPSolve(tao->ksp, tao->gradient, tao->stepdirection);CHKERRQ(ierr);
322a7e14dcfSSatish Balay     ierr = KSPGetIterationNumber(tao->ksp,&its);CHKERRQ(ierr);
323a7e14dcfSSatish Balay     tao->ksp_its+=its;
324ae93cb3cSJason Sarich     tao->ksp_tot_its+=its;
325ba7fe8fbSTodd Munson     ierr = KSPCGGetNormD(tao->ksp, &norm_d);CHKERRQ(ierr);
326a7e14dcfSSatish Balay 
327a7e14dcfSSatish Balay     if (0.0 == tao->trust) {
328a7e14dcfSSatish Balay       /* Radius was uninitialized; use the norm of the direction */
329a7e14dcfSSatish Balay       if (norm_d > 0.0) {
330a7e14dcfSSatish Balay         tao->trust = norm_d;
331a7e14dcfSSatish Balay 
332a7e14dcfSSatish Balay         /* Modify the radius if it is too large or small */
333a7e14dcfSSatish Balay         tao->trust = PetscMax(tao->trust, tl->min_radius);
334a7e14dcfSSatish Balay         tao->trust = PetscMin(tao->trust, tl->max_radius);
33553506e15SBarry Smith       } else {
336a7e14dcfSSatish Balay         /* The direction was bad; set radius to default value and re-solve
337a7e14dcfSSatish Balay            the trust-region subproblem to get a direction */
338a7e14dcfSSatish Balay         tao->trust = tao->trust0;
339a7e14dcfSSatish Balay 
340a7e14dcfSSatish Balay         /* Modify the radius if it is too large or small */
341a7e14dcfSSatish Balay         tao->trust = PetscMax(tao->trust, tl->min_radius);
342a7e14dcfSSatish Balay         tao->trust = PetscMin(tao->trust, tl->max_radius);
343a7e14dcfSSatish Balay 
344ba7fe8fbSTodd Munson         ierr = KSPCGSetRadius(tao->ksp,tl->max_radius);CHKERRQ(ierr);
345a7e14dcfSSatish Balay         ierr = KSPSolve(tao->ksp, tao->gradient, tao->stepdirection);CHKERRQ(ierr);
346a7e14dcfSSatish Balay         ierr = KSPGetIterationNumber(tao->ksp,&its);CHKERRQ(ierr);
347a7e14dcfSSatish Balay         tao->ksp_its+=its;
3482d9aa51bSJason Sarich         tao->ksp_tot_its+=its;
349ba7fe8fbSTodd Munson         ierr = KSPCGGetNormD(tao->ksp, &norm_d);CHKERRQ(ierr);
350a7e14dcfSSatish Balay 
35153506e15SBarry Smith         if (norm_d == 0.0) SETERRQ(PETSC_COMM_SELF,1, "Initial direction zero");
352a7e14dcfSSatish Balay       }
353a7e14dcfSSatish Balay     }
354a7e14dcfSSatish Balay 
355a7e14dcfSSatish Balay     ierr = VecScale(tao->stepdirection, -1.0);CHKERRQ(ierr);
356a7e14dcfSSatish Balay     ierr = KSPGetConvergedReason(tao->ksp, &ksp_reason);CHKERRQ(ierr);
35753506e15SBarry Smith     if ((KSP_DIVERGED_INDEFINITE_PC == ksp_reason) && (NTL_PC_BFGS == tl->pc_type) && (bfgsUpdates > 1)) {
358a7e14dcfSSatish Balay       /* Preconditioner is numerically indefinite; reset the
359a7e14dcfSSatish Balay          approximate if using BFGS preconditioning. */
360a7e14dcfSSatish Balay 
361a7e14dcfSSatish Balay       if (f != 0.0) {
362a7e14dcfSSatish Balay         delta = 2.0 * PetscAbsScalar(f) / (gnorm*gnorm);
36353506e15SBarry Smith       } else {
364a7e14dcfSSatish Balay         delta = 2.0 / (gnorm*gnorm);
365a7e14dcfSSatish Balay       }
366a7e14dcfSSatish Balay       ierr = MatLMVMSetDelta(tl->M, delta);CHKERRQ(ierr);
367a7e14dcfSSatish Balay       ierr = MatLMVMReset(tl->M);CHKERRQ(ierr);
368a7e14dcfSSatish Balay       ierr = MatLMVMUpdate(tl->M, tao->solution, tao->gradient);CHKERRQ(ierr);
369a7e14dcfSSatish Balay       bfgsUpdates = 1;
370a7e14dcfSSatish Balay     }
371a7e14dcfSSatish Balay 
372a7e14dcfSSatish Balay     /* Check trust-region reduction conditions */
373a7e14dcfSSatish Balay     tr_reject = 0;
374a7e14dcfSSatish Balay     if (NTL_UPDATE_REDUCTION == tl->update_type) {
375a7e14dcfSSatish Balay       /* Get predicted reduction */
376ba7fe8fbSTodd Munson       ierr = KSPCGGetObjFcn(tao->ksp,&prered);CHKERRQ(ierr);
377a7e14dcfSSatish Balay       if (prered >= 0.0) {
378a7e14dcfSSatish Balay         /* The predicted reduction has the wrong sign.  This cannot
379a7e14dcfSSatish Balay            happen in infinite precision arithmetic.  Step should
380a7e14dcfSSatish Balay            be rejected! */
381a7e14dcfSSatish Balay         tao->trust = tl->alpha1 * PetscMin(tao->trust, norm_d);
382a7e14dcfSSatish Balay         tr_reject = 1;
38353506e15SBarry Smith       } else {
384a7e14dcfSSatish Balay         /* Compute trial step and function value */
385a7e14dcfSSatish Balay         ierr = VecCopy(tao->solution, tl->W);CHKERRQ(ierr);
386a7e14dcfSSatish Balay         ierr = VecAXPY(tl->W, 1.0, tao->stepdirection);CHKERRQ(ierr);
387a7e14dcfSSatish Balay         ierr = TaoComputeObjective(tao, tl->W, &ftrial);CHKERRQ(ierr);
388a7e14dcfSSatish Balay 
389a7e14dcfSSatish Balay         if (PetscIsInfOrNanReal(ftrial)) {
390a7e14dcfSSatish Balay           tao->trust = tl->alpha1 * PetscMin(tao->trust, norm_d);
391a7e14dcfSSatish Balay           tr_reject = 1;
39253506e15SBarry Smith         } else {
393a7e14dcfSSatish Balay           /* Compute and actual reduction */
394a7e14dcfSSatish Balay           actred = f - ftrial;
395a7e14dcfSSatish Balay           prered = -prered;
396a7e14dcfSSatish Balay           if ((PetscAbsScalar(actred) <= tl->epsilon) &&
397a7e14dcfSSatish Balay               (PetscAbsScalar(prered) <= tl->epsilon)) {
398a7e14dcfSSatish Balay             kappa = 1.0;
39953506e15SBarry Smith           } else {
400a7e14dcfSSatish Balay             kappa = actred / prered;
401a7e14dcfSSatish Balay           }
402a7e14dcfSSatish Balay 
403a7e14dcfSSatish Balay           /* Accept of reject the step and update radius */
404a7e14dcfSSatish Balay           if (kappa < tl->eta1) {
405a7e14dcfSSatish Balay             /* Reject the step */
406a7e14dcfSSatish Balay             tao->trust = tl->alpha1 * PetscMin(tao->trust, norm_d);
407a7e14dcfSSatish Balay             tr_reject = 1;
40853506e15SBarry Smith           } else {
409a7e14dcfSSatish Balay             /* Accept the step */
410a7e14dcfSSatish Balay             if (kappa < tl->eta2) {
411a7e14dcfSSatish Balay               /* Marginal bad step */
412a7e14dcfSSatish Balay               tao->trust = tl->alpha2 * PetscMin(tao->trust, norm_d);
41353506e15SBarry Smith             } else if (kappa < tl->eta3) {
414a7e14dcfSSatish Balay               /* Reasonable step */
415a7e14dcfSSatish Balay               tao->trust = tl->alpha3 * tao->trust;
41653506e15SBarry Smith             } else if (kappa < tl->eta4) {
417a7e14dcfSSatish Balay               /* Good step */
418a7e14dcfSSatish Balay               tao->trust = PetscMax(tl->alpha4 * norm_d, tao->trust);
41953506e15SBarry Smith             } else {
420a7e14dcfSSatish Balay               /* Very good step */
421a7e14dcfSSatish Balay               tao->trust = PetscMax(tl->alpha5 * norm_d, tao->trust);
422a7e14dcfSSatish Balay             }
423a7e14dcfSSatish Balay           }
424a7e14dcfSSatish Balay         }
425a7e14dcfSSatish Balay       }
42653506e15SBarry Smith     } else {
427a7e14dcfSSatish Balay       /* Get predicted reduction */
428ba7fe8fbSTodd Munson       ierr = KSPCGGetObjFcn(tao->ksp,&prered);CHKERRQ(ierr);
429a7e14dcfSSatish Balay       if (prered >= 0.0) {
430a7e14dcfSSatish Balay         /* The predicted reduction has the wrong sign.  This cannot
431a7e14dcfSSatish Balay            happen in infinite precision arithmetic.  Step should
432a7e14dcfSSatish Balay            be rejected! */
433a7e14dcfSSatish Balay         tao->trust = tl->gamma1 * PetscMin(tao->trust, norm_d);
434a7e14dcfSSatish Balay         tr_reject = 1;
43553506e15SBarry Smith       } else {
436a7e14dcfSSatish Balay         ierr = VecCopy(tao->solution, tl->W);CHKERRQ(ierr);
437a7e14dcfSSatish Balay         ierr = VecAXPY(tl->W, 1.0, tao->stepdirection);CHKERRQ(ierr);
438a7e14dcfSSatish Balay         ierr = TaoComputeObjective(tao, tl->W, &ftrial);CHKERRQ(ierr);
439a7e14dcfSSatish Balay         if (PetscIsInfOrNanReal(ftrial)) {
440a7e14dcfSSatish Balay           tao->trust = tl->gamma1 * PetscMin(tao->trust, norm_d);
441a7e14dcfSSatish Balay           tr_reject = 1;
44253506e15SBarry Smith         } else {
443a7e14dcfSSatish Balay           ierr = VecDot(tao->gradient, tao->stepdirection, &gdx);CHKERRQ(ierr);
444a7e14dcfSSatish Balay 
445a7e14dcfSSatish Balay           actred = f - ftrial;
446a7e14dcfSSatish Balay           prered = -prered;
447a7e14dcfSSatish Balay           if ((PetscAbsScalar(actred) <= tl->epsilon) &&
448a7e14dcfSSatish Balay               (PetscAbsScalar(prered) <= tl->epsilon)) {
449a7e14dcfSSatish Balay             kappa = 1.0;
45053506e15SBarry Smith           } else {
451a7e14dcfSSatish Balay             kappa = actred / prered;
452a7e14dcfSSatish Balay           }
453a7e14dcfSSatish Balay 
454a7e14dcfSSatish Balay           tau_1 = tl->theta * gdx / (tl->theta * gdx - (1.0 - tl->theta) * prered + actred);
455a7e14dcfSSatish Balay           tau_2 = tl->theta * gdx / (tl->theta * gdx + (1.0 + tl->theta) * prered - actred);
456a7e14dcfSSatish Balay           tau_min = PetscMin(tau_1, tau_2);
457a7e14dcfSSatish Balay           tau_max = PetscMax(tau_1, tau_2);
458a7e14dcfSSatish Balay 
459a7e14dcfSSatish Balay           if (kappa >= 1.0 - tl->mu1) {
460a7e14dcfSSatish Balay             /* Great agreement; accept step and update radius */
461a7e14dcfSSatish Balay             if (tau_max < 1.0) {
462a7e14dcfSSatish Balay               tao->trust = PetscMax(tao->trust, tl->gamma3 * norm_d);
46353506e15SBarry Smith             } else if (tau_max > tl->gamma4) {
464a7e14dcfSSatish Balay               tao->trust = PetscMax(tao->trust, tl->gamma4 * norm_d);
46553506e15SBarry Smith             } else {
466a7e14dcfSSatish Balay               tao->trust = PetscMax(tao->trust, tau_max * norm_d);
467a7e14dcfSSatish Balay             }
46853506e15SBarry Smith           } else if (kappa >= 1.0 - tl->mu2) {
469a7e14dcfSSatish Balay             /* Good agreement */
470a7e14dcfSSatish Balay 
471a7e14dcfSSatish Balay             if (tau_max < tl->gamma2) {
472a7e14dcfSSatish Balay               tao->trust = tl->gamma2 * PetscMin(tao->trust, norm_d);
47353506e15SBarry Smith             } else if (tau_max > tl->gamma3) {
474a7e14dcfSSatish Balay               tao->trust = PetscMax(tao->trust, tl->gamma3 * norm_d);
475a7e14dcfSSatish Balay             } else if (tau_max < 1.0) {
476a7e14dcfSSatish Balay               tao->trust = tau_max * PetscMin(tao->trust, norm_d);
47753506e15SBarry Smith             } else {
478a7e14dcfSSatish Balay               tao->trust = PetscMax(tao->trust, tau_max * norm_d);
479a7e14dcfSSatish Balay             }
48053506e15SBarry Smith           } else {
481a7e14dcfSSatish Balay             /* Not good agreement */
482a7e14dcfSSatish Balay             if (tau_min > 1.0) {
483a7e14dcfSSatish Balay               tao->trust = tl->gamma2 * PetscMin(tao->trust, norm_d);
48453506e15SBarry Smith             } else if (tau_max < tl->gamma1) {
485a7e14dcfSSatish Balay               tao->trust = tl->gamma1 * PetscMin(tao->trust, norm_d);
48653506e15SBarry Smith             } else if ((tau_min < tl->gamma1) && (tau_max >= 1.0)) {
487a7e14dcfSSatish Balay               tao->trust = tl->gamma1 * PetscMin(tao->trust, norm_d);
48853506e15SBarry Smith             } else if ((tau_1 >= tl->gamma1) && (tau_1 < 1.0) && ((tau_2 < tl->gamma1) || (tau_2 >= 1.0))) {
489a7e14dcfSSatish Balay               tao->trust = tau_1 * PetscMin(tao->trust, norm_d);
49053506e15SBarry Smith             } else if ((tau_2 >= tl->gamma1) && (tau_2 < 1.0) && ((tau_1 < tl->gamma1) || (tau_2 >= 1.0))) {
491a7e14dcfSSatish Balay               tao->trust = tau_2 * PetscMin(tao->trust, norm_d);
49253506e15SBarry Smith             } else {
493a7e14dcfSSatish Balay               tao->trust = tau_max * PetscMin(tao->trust, norm_d);
494a7e14dcfSSatish Balay             }
495a7e14dcfSSatish Balay             tr_reject = 1;
496a7e14dcfSSatish Balay           }
497a7e14dcfSSatish Balay         }
498a7e14dcfSSatish Balay       }
499a7e14dcfSSatish Balay     }
500a7e14dcfSSatish Balay 
501a7e14dcfSSatish Balay     if (tr_reject) {
502a7e14dcfSSatish Balay       /* The trust-region constraints rejected the step.  Apply a linesearch.
503a7e14dcfSSatish Balay          Check for descent direction. */
504a7e14dcfSSatish Balay       ierr = VecDot(tao->stepdirection, tao->gradient, &gdx);CHKERRQ(ierr);
505a7e14dcfSSatish Balay       if ((gdx >= 0.0) || PetscIsInfOrNanReal(gdx)) {
506a7e14dcfSSatish Balay         /* Newton step is not descent or direction produced Inf or NaN */
507a7e14dcfSSatish Balay 
508a7e14dcfSSatish Balay         if (NTL_PC_BFGS != tl->pc_type) {
509a7e14dcfSSatish Balay           /* We don't have the bfgs matrix around and updated
510a7e14dcfSSatish Balay              Must use gradient direction in this case */
511a7e14dcfSSatish Balay           ierr = VecCopy(tao->gradient, tao->stepdirection);CHKERRQ(ierr);
512a7e14dcfSSatish Balay           ierr = VecScale(tao->stepdirection, -1.0);CHKERRQ(ierr);
513a7e14dcfSSatish Balay           ++tl->grad;
514a7e14dcfSSatish Balay           stepType = NTL_GRADIENT;
51553506e15SBarry Smith         } else {
516a7e14dcfSSatish Balay           /* Attempt to use the BFGS direction */
517a7e14dcfSSatish Balay           ierr = MatLMVMSolve(tl->M, tao->gradient, tao->stepdirection);CHKERRQ(ierr);
518a7e14dcfSSatish Balay           ierr = VecScale(tao->stepdirection, -1.0);CHKERRQ(ierr);
519a7e14dcfSSatish Balay 
520a7e14dcfSSatish Balay           /* Check for success (descent direction) */
521a7e14dcfSSatish Balay           ierr = VecDot(tao->stepdirection, tao->gradient, &gdx);CHKERRQ(ierr);
522a7e14dcfSSatish Balay           if ((gdx >= 0) || PetscIsInfOrNanReal(gdx)) {
523a7e14dcfSSatish Balay             /* BFGS direction is not descent or direction produced not a number
524a7e14dcfSSatish Balay                We can assert bfgsUpdates > 1 in this case because
525a7e14dcfSSatish Balay                the first solve produces the scaled gradient direction,
526a7e14dcfSSatish Balay                which is guaranteed to be descent */
527a7e14dcfSSatish Balay 
528a7e14dcfSSatish Balay             /* Use steepest descent direction (scaled) */
529a7e14dcfSSatish Balay             if (f != 0.0) {
530a7e14dcfSSatish Balay               delta = 2.0 * PetscAbsScalar(f) / (gnorm*gnorm);
53153506e15SBarry Smith             } else {
532a7e14dcfSSatish Balay               delta = 2.0 / (gnorm*gnorm);
533a7e14dcfSSatish Balay             }
534a7e14dcfSSatish Balay             ierr = MatLMVMSetDelta(tl->M, delta);CHKERRQ(ierr);
535a7e14dcfSSatish Balay             ierr = MatLMVMReset(tl->M);CHKERRQ(ierr);
536a7e14dcfSSatish Balay             ierr = MatLMVMUpdate(tl->M, tao->solution, tao->gradient);CHKERRQ(ierr);
537a7e14dcfSSatish Balay             ierr = MatLMVMSolve(tl->M, tao->gradient, tao->stepdirection);CHKERRQ(ierr);
538a7e14dcfSSatish Balay             ierr = VecScale(tao->stepdirection, -1.0);CHKERRQ(ierr);
539a7e14dcfSSatish Balay 
540a7e14dcfSSatish Balay             bfgsUpdates = 1;
541a7e14dcfSSatish Balay             ++tl->sgrad;
542a7e14dcfSSatish Balay             stepType = NTL_SCALED_GRADIENT;
54353506e15SBarry Smith           } else {
544a7e14dcfSSatish Balay             if (1 == bfgsUpdates) {
545a7e14dcfSSatish Balay               /* The first BFGS direction is always the scaled gradient */
546a7e14dcfSSatish Balay               ++tl->sgrad;
547a7e14dcfSSatish Balay               stepType = NTL_SCALED_GRADIENT;
54853506e15SBarry Smith             } else {
549a7e14dcfSSatish Balay               ++tl->bfgs;
550a7e14dcfSSatish Balay               stepType = NTL_BFGS;
551a7e14dcfSSatish Balay             }
552a7e14dcfSSatish Balay           }
553a7e14dcfSSatish Balay         }
55453506e15SBarry Smith       } else {
555a7e14dcfSSatish Balay         /* Computed Newton step is descent */
556a7e14dcfSSatish Balay         ++tl->newt;
557a7e14dcfSSatish Balay         stepType = NTL_NEWTON;
558a7e14dcfSSatish Balay       }
559a7e14dcfSSatish Balay 
560a7e14dcfSSatish Balay       /* Perform the linesearch */
561a7e14dcfSSatish Balay       fold = f;
562a7e14dcfSSatish Balay       ierr = VecCopy(tao->solution, tl->Xold);CHKERRQ(ierr);
563a7e14dcfSSatish Balay       ierr = VecCopy(tao->gradient, tl->Gold);CHKERRQ(ierr);
564a7e14dcfSSatish Balay 
565a7e14dcfSSatish Balay       step = 1.0;
566a7e14dcfSSatish Balay       ierr = TaoLineSearchApply(tao->linesearch, tao->solution, &f, tao->gradient, tao->stepdirection, &step, &ls_reason);CHKERRQ(ierr);
567a7e14dcfSSatish Balay       ierr = TaoAddLineSearchCounts(tao);CHKERRQ(ierr);
568a7e14dcfSSatish Balay 
56953506e15SBarry Smith       while (ls_reason != TAOLINESEARCH_SUCCESS && ls_reason != TAOLINESEARCH_SUCCESS_USER && stepType != NTL_GRADIENT) {      /* Linesearch failed */
570a7e14dcfSSatish Balay         /* Linesearch failed */
571a7e14dcfSSatish Balay         f = fold;
572a7e14dcfSSatish Balay         ierr = VecCopy(tl->Xold, tao->solution);CHKERRQ(ierr);
573a7e14dcfSSatish Balay         ierr = VecCopy(tl->Gold, tao->gradient);CHKERRQ(ierr);
574a7e14dcfSSatish Balay 
575a7e14dcfSSatish Balay         switch(stepType) {
576a7e14dcfSSatish Balay         case NTL_NEWTON:
577a7e14dcfSSatish Balay           /* Failed to obtain acceptable iterate with Newton step */
578a7e14dcfSSatish Balay 
579a7e14dcfSSatish Balay           if (NTL_PC_BFGS != tl->pc_type) {
580a7e14dcfSSatish Balay             /* We don't have the bfgs matrix around and being updated
581a7e14dcfSSatish Balay                Must use gradient direction in this case */
582a7e14dcfSSatish Balay             ierr = VecCopy(tao->gradient, tao->stepdirection);CHKERRQ(ierr);
583a7e14dcfSSatish Balay             ++tl->grad;
584a7e14dcfSSatish Balay             stepType = NTL_GRADIENT;
58553506e15SBarry Smith           } else {
586a7e14dcfSSatish Balay             /* Attempt to use the BFGS direction */
587a7e14dcfSSatish Balay             ierr = MatLMVMSolve(tl->M, tao->gradient, tao->stepdirection);CHKERRQ(ierr);
588a7e14dcfSSatish Balay 
589a7e14dcfSSatish Balay 
590a7e14dcfSSatish Balay             /* Check for success (descent direction) */
591a7e14dcfSSatish Balay             ierr = VecDot(tao->stepdirection, tao->gradient, &gdx);CHKERRQ(ierr);
592a7e14dcfSSatish Balay             if ((gdx <= 0) || PetscIsInfOrNanReal(gdx)) {
593a7e14dcfSSatish Balay               /* BFGS direction is not descent or direction produced
594a7e14dcfSSatish Balay                  not a number.  We can assert bfgsUpdates > 1 in this case
595a7e14dcfSSatish Balay                  Use steepest descent direction (scaled) */
596a7e14dcfSSatish Balay 
597a7e14dcfSSatish Balay               if (f != 0.0) {
598a7e14dcfSSatish Balay                 delta = 2.0 * PetscAbsScalar(f) / (gnorm*gnorm);
59953506e15SBarry Smith               } else {
600a7e14dcfSSatish Balay                 delta = 2.0 / (gnorm*gnorm);
601a7e14dcfSSatish Balay               }
602a7e14dcfSSatish Balay               ierr = MatLMVMSetDelta(tl->M, delta);CHKERRQ(ierr);
603a7e14dcfSSatish Balay               ierr = MatLMVMReset(tl->M);CHKERRQ(ierr);
604a7e14dcfSSatish Balay               ierr = MatLMVMUpdate(tl->M, tao->solution, tao->gradient);CHKERRQ(ierr);
605a7e14dcfSSatish Balay               ierr = MatLMVMSolve(tl->M, tao->gradient, tao->stepdirection);CHKERRQ(ierr);
606a7e14dcfSSatish Balay 
607a7e14dcfSSatish Balay               bfgsUpdates = 1;
608a7e14dcfSSatish Balay               ++tl->sgrad;
609a7e14dcfSSatish Balay               stepType = NTL_SCALED_GRADIENT;
61053506e15SBarry Smith             } else {
611a7e14dcfSSatish Balay               if (1 == bfgsUpdates) {
612a7e14dcfSSatish Balay                 /* The first BFGS direction is always the scaled gradient */
613a7e14dcfSSatish Balay                 ++tl->sgrad;
614a7e14dcfSSatish Balay                 stepType = NTL_SCALED_GRADIENT;
61553506e15SBarry Smith               } else {
616a7e14dcfSSatish Balay                 ++tl->bfgs;
617a7e14dcfSSatish Balay                 stepType = NTL_BFGS;
618a7e14dcfSSatish Balay               }
619a7e14dcfSSatish Balay             }
620a7e14dcfSSatish Balay           }
621a7e14dcfSSatish Balay           break;
622a7e14dcfSSatish Balay 
623a7e14dcfSSatish Balay         case NTL_BFGS:
624a7e14dcfSSatish Balay           /* Can only enter if pc_type == NTL_PC_BFGS
625a7e14dcfSSatish Balay              Failed to obtain acceptable iterate with BFGS step
626a7e14dcfSSatish Balay              Attempt to use the scaled gradient direction */
627a7e14dcfSSatish Balay 
628a7e14dcfSSatish Balay           if (f != 0.0) {
629a7e14dcfSSatish Balay             delta = 2.0 * PetscAbsScalar(f) / (gnorm*gnorm);
63053506e15SBarry Smith           } else {
631a7e14dcfSSatish Balay             delta = 2.0 / (gnorm*gnorm);
632a7e14dcfSSatish Balay           }
633a7e14dcfSSatish Balay           ierr = MatLMVMSetDelta(tl->M, delta);CHKERRQ(ierr);
634a7e14dcfSSatish Balay           ierr = MatLMVMReset(tl->M);CHKERRQ(ierr);
635a7e14dcfSSatish Balay           ierr = MatLMVMUpdate(tl->M, tao->solution, tao->gradient);CHKERRQ(ierr);
636a7e14dcfSSatish Balay           ierr = MatLMVMSolve(tl->M, tao->gradient, tao->stepdirection);CHKERRQ(ierr);
637a7e14dcfSSatish Balay 
638a7e14dcfSSatish Balay           bfgsUpdates = 1;
639a7e14dcfSSatish Balay           ++tl->sgrad;
640a7e14dcfSSatish Balay           stepType = NTL_SCALED_GRADIENT;
641a7e14dcfSSatish Balay           break;
642a7e14dcfSSatish Balay 
643a7e14dcfSSatish Balay         case NTL_SCALED_GRADIENT:
644a7e14dcfSSatish Balay           /* Can only enter if pc_type == NTL_PC_BFGS
645a7e14dcfSSatish Balay              The scaled gradient step did not produce a new iterate;
646a7e14dcfSSatish Balay              attemp to use the gradient direction.
647a7e14dcfSSatish Balay              Need to make sure we are not using a different diagonal scaling */
648a7e14dcfSSatish Balay           ierr = MatLMVMSetScale(tl->M, tl->Diag);CHKERRQ(ierr);
649a7e14dcfSSatish Balay           ierr = MatLMVMSetDelta(tl->M, 1.0);CHKERRQ(ierr);
650a7e14dcfSSatish Balay           ierr = MatLMVMReset(tl->M);CHKERRQ(ierr);
651a7e14dcfSSatish Balay           ierr = MatLMVMUpdate(tl->M, tao->solution, tao->gradient);CHKERRQ(ierr);
652a7e14dcfSSatish Balay           ierr = MatLMVMSolve(tl->M, tao->gradient, tao->stepdirection);CHKERRQ(ierr);
653a7e14dcfSSatish Balay 
654a7e14dcfSSatish Balay           bfgsUpdates = 1;
655a7e14dcfSSatish Balay           ++tl->grad;
656a7e14dcfSSatish Balay           stepType = NTL_GRADIENT;
657a7e14dcfSSatish Balay           break;
658a7e14dcfSSatish Balay         }
659a7e14dcfSSatish Balay         ierr = VecScale(tao->stepdirection, -1.0);CHKERRQ(ierr);
660a7e14dcfSSatish Balay 
661a7e14dcfSSatish Balay         /* This may be incorrect; linesearch has values for stepmax and stepmin
662a7e14dcfSSatish Balay            that should be reset. */
663a7e14dcfSSatish Balay         step = 1.0;
664a7e14dcfSSatish Balay         ierr = TaoLineSearchApply(tao->linesearch, tao->solution, &f, tao->gradient, tao->stepdirection, &step, &ls_reason);CHKERRQ(ierr);
665a7e14dcfSSatish Balay         ierr = TaoAddLineSearchCounts(tao);CHKERRQ(ierr);
666a7e14dcfSSatish Balay       }
667a7e14dcfSSatish Balay 
66853506e15SBarry Smith       if (ls_reason != TAOLINESEARCH_SUCCESS && ls_reason != TAOLINESEARCH_SUCCESS_USER) {
669a7e14dcfSSatish Balay         /* Failed to find an improving point */
670a7e14dcfSSatish Balay         f = fold;
671a7e14dcfSSatish Balay         ierr = VecCopy(tl->Xold, tao->solution);CHKERRQ(ierr);
672a7e14dcfSSatish Balay         ierr = VecCopy(tl->Gold, tao->gradient);CHKERRQ(ierr);
673a7e14dcfSSatish Balay         tao->trust = 0.0;
674a7e14dcfSSatish Balay         step = 0.0;
675a7e14dcfSSatish Balay         reason = TAO_DIVERGED_LS_FAILURE;
676a7e14dcfSSatish Balay         tao->reason = TAO_DIVERGED_LS_FAILURE;
677a7e14dcfSSatish Balay         break;
67853506e15SBarry Smith       } else if (stepType == NTL_NEWTON) {
679a7e14dcfSSatish Balay         if (step < tl->nu1) {
680a7e14dcfSSatish Balay           /* Very bad step taken; reduce radius */
681a7e14dcfSSatish Balay           tao->trust = tl->omega1 * PetscMin(norm_d, tao->trust);
68253506e15SBarry Smith         } else if (step < tl->nu2) {
683a7e14dcfSSatish Balay           /* Reasonably bad step taken; reduce radius */
684a7e14dcfSSatish Balay           tao->trust = tl->omega2 * PetscMin(norm_d, tao->trust);
68553506e15SBarry Smith         } else if (step < tl->nu3) {
686a7e14dcfSSatish Balay           /* Reasonable step was taken; leave radius alone */
687a7e14dcfSSatish Balay           if (tl->omega3 < 1.0) {
688a7e14dcfSSatish Balay             tao->trust = tl->omega3 * PetscMin(norm_d, tao->trust);
68953506e15SBarry Smith           } else if (tl->omega3 > 1.0) {
690a7e14dcfSSatish Balay             tao->trust = PetscMax(tl->omega3 * norm_d, tao->trust);
691a7e14dcfSSatish Balay           }
69253506e15SBarry Smith         } else if (step < tl->nu4) {
693a7e14dcfSSatish Balay           /* Full step taken; increase the radius */
694a7e14dcfSSatish Balay           tao->trust = PetscMax(tl->omega4 * norm_d, tao->trust);
69553506e15SBarry Smith         } else {
696a7e14dcfSSatish Balay           /* More than full step taken; increase the radius */
697a7e14dcfSSatish Balay           tao->trust = PetscMax(tl->omega5 * norm_d, tao->trust);
698a7e14dcfSSatish Balay         }
69953506e15SBarry Smith       } else {
700a7e14dcfSSatish Balay         /* Newton step was not good; reduce the radius */
701a7e14dcfSSatish Balay         tao->trust = tl->omega1 * PetscMin(norm_d, tao->trust);
702a7e14dcfSSatish Balay       }
70353506e15SBarry Smith     } else {
704a7e14dcfSSatish Balay       /* Trust-region step is accepted */
705a7e14dcfSSatish Balay       ierr = VecCopy(tl->W, tao->solution);CHKERRQ(ierr);
706a7e14dcfSSatish Balay       f = ftrial;
707a7e14dcfSSatish Balay       ierr = TaoComputeGradient(tao, tao->solution, tao->gradient);CHKERRQ(ierr);
708a7e14dcfSSatish Balay       ++tl->ntrust;
709a7e14dcfSSatish Balay     }
710a7e14dcfSSatish Balay 
711a7e14dcfSSatish Balay     /* The radius may have been increased; modify if it is too large */
712a7e14dcfSSatish Balay     tao->trust = PetscMin(tao->trust, tl->max_radius);
713a7e14dcfSSatish Balay 
714e4cb33bbSBarry Smith     /* Check for converged */
715a7e14dcfSSatish Balay     ierr = VecNorm(tao->gradient, NORM_2, &gnorm);CHKERRQ(ierr);
71653506e15SBarry Smith     if (PetscIsInfOrNanReal(f) || PetscIsInfOrNanReal(gnorm)) SETERRQ(PETSC_COMM_SELF,1,"User provided compute function generated Not-a-Number");
717a7e14dcfSSatish Balay     needH = 1;
718a7e14dcfSSatish Balay 
7198931d482SJason Sarich     ierr = TaoMonitor(tao, tao->niter, f, gnorm, 0.0, tao->trust, &reason);CHKERRQ(ierr);
720a7e14dcfSSatish Balay   }
721a7e14dcfSSatish Balay   PetscFunctionReturn(0);
722a7e14dcfSSatish Balay }
723a7e14dcfSSatish Balay 
724a7e14dcfSSatish Balay /* ---------------------------------------------------------- */
725441846f8SBarry Smith static PetscErrorCode TaoSetUp_NTL(Tao tao)
726a7e14dcfSSatish Balay {
727a7e14dcfSSatish Balay   TAO_NTL        *tl = (TAO_NTL *)tao->data;
728a7e14dcfSSatish Balay   PetscErrorCode ierr;
729a7e14dcfSSatish Balay 
730a7e14dcfSSatish Balay   PetscFunctionBegin;
731a7e14dcfSSatish Balay   if (!tao->gradient) {ierr = VecDuplicate(tao->solution, &tao->gradient);CHKERRQ(ierr); }
732a7e14dcfSSatish Balay   if (!tao->stepdirection) {ierr = VecDuplicate(tao->solution, &tao->stepdirection);CHKERRQ(ierr);}
733a7e14dcfSSatish Balay   if (!tl->W) { ierr = VecDuplicate(tao->solution, &tl->W);CHKERRQ(ierr);}
734a7e14dcfSSatish Balay   if (!tl->Xold) { ierr = VecDuplicate(tao->solution, &tl->Xold);CHKERRQ(ierr);}
735a7e14dcfSSatish Balay   if (!tl->Gold) { ierr = VecDuplicate(tao->solution, &tl->Gold);CHKERRQ(ierr);}
736a7e14dcfSSatish Balay   tl->Diag = 0;
737a7e14dcfSSatish Balay   tl->M = 0;
738a7e14dcfSSatish Balay   PetscFunctionReturn(0);
739a7e14dcfSSatish Balay }
740a7e14dcfSSatish Balay 
741a7e14dcfSSatish Balay /*------------------------------------------------------------*/
742441846f8SBarry Smith static PetscErrorCode TaoDestroy_NTL(Tao tao)
743a7e14dcfSSatish Balay {
744a7e14dcfSSatish Balay   TAO_NTL        *tl = (TAO_NTL *)tao->data;
745a7e14dcfSSatish Balay   PetscErrorCode ierr;
746a7e14dcfSSatish Balay 
747a7e14dcfSSatish Balay   PetscFunctionBegin;
748a7e14dcfSSatish Balay   if (tao->setupcalled) {
749a7e14dcfSSatish Balay     ierr = VecDestroy(&tl->W);CHKERRQ(ierr);
750a7e14dcfSSatish Balay     ierr = VecDestroy(&tl->Xold);CHKERRQ(ierr);
751a7e14dcfSSatish Balay     ierr = VecDestroy(&tl->Gold);CHKERRQ(ierr);
752a7e14dcfSSatish Balay   }
753a7e14dcfSSatish Balay   ierr = VecDestroy(&tl->Diag);CHKERRQ(ierr);
754a7e14dcfSSatish Balay   ierr = MatDestroy(&tl->M);CHKERRQ(ierr);
755a7e14dcfSSatish Balay   ierr = PetscFree(tao->data);CHKERRQ(ierr);
756a7e14dcfSSatish Balay   PetscFunctionReturn(0);
757a7e14dcfSSatish Balay }
758a7e14dcfSSatish Balay 
759a7e14dcfSSatish Balay /*------------------------------------------------------------*/
7604416b707SBarry Smith static PetscErrorCode TaoSetFromOptions_NTL(PetscOptionItems *PetscOptionsObject,Tao tao)
761a7e14dcfSSatish Balay {
762a7e14dcfSSatish Balay   TAO_NTL        *tl = (TAO_NTL *)tao->data;
763a7e14dcfSSatish Balay   PetscErrorCode ierr;
764a7e14dcfSSatish Balay 
765a7e14dcfSSatish Balay   PetscFunctionBegin;
7661a1499c8SBarry Smith   ierr = PetscOptionsHead(PetscOptionsObject,"Newton trust region with line search method for unconstrained optimization");CHKERRQ(ierr);
76794ae4db5SBarry Smith   ierr = PetscOptionsEList("-tao_ntl_pc_type", "pc type", "", NTL_PC, NTL_PC_TYPES, NTL_PC[tl->pc_type], &tl->pc_type,NULL);CHKERRQ(ierr);
76894ae4db5SBarry Smith   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,NULL);CHKERRQ(ierr);
76994ae4db5SBarry Smith   ierr = PetscOptionsEList("-tao_ntl_init_type", "radius initialization type", "", NTL_INIT, NTL_INIT_TYPES, NTL_INIT[tl->init_type], &tl->init_type,NULL);CHKERRQ(ierr);
77094ae4db5SBarry Smith   ierr = PetscOptionsEList("-tao_ntl_update_type", "radius update type", "", NTL_UPDATE, NTL_UPDATE_TYPES, NTL_UPDATE[tl->update_type], &tl->update_type,NULL);CHKERRQ(ierr);
77194ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_eta1", "poor steplength; reduce radius", "", tl->eta1, &tl->eta1,NULL);CHKERRQ(ierr);
77294ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_eta2", "reasonable steplength; leave radius alone", "", tl->eta2, &tl->eta2,NULL);CHKERRQ(ierr);
77394ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_eta3", "good steplength; increase radius", "", tl->eta3, &tl->eta3,NULL);CHKERRQ(ierr);
77494ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_eta4", "excellent steplength; greatly increase radius", "", tl->eta4, &tl->eta4,NULL);CHKERRQ(ierr);
77594ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_alpha1", "", "", tl->alpha1, &tl->alpha1,NULL);CHKERRQ(ierr);
77694ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_alpha2", "", "", tl->alpha2, &tl->alpha2,NULL);CHKERRQ(ierr);
77794ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_alpha3", "", "", tl->alpha3, &tl->alpha3,NULL);CHKERRQ(ierr);
77894ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_alpha4", "", "", tl->alpha4, &tl->alpha4,NULL);CHKERRQ(ierr);
77994ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_alpha5", "", "", tl->alpha5, &tl->alpha5,NULL);CHKERRQ(ierr);
78094ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_nu1", "poor steplength; reduce radius", "", tl->nu1, &tl->nu1,NULL);CHKERRQ(ierr);
78194ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_nu2", "reasonable steplength; leave radius alone", "", tl->nu2, &tl->nu2,NULL);CHKERRQ(ierr);
78294ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_nu3", "good steplength; increase radius", "", tl->nu3, &tl->nu3,NULL);CHKERRQ(ierr);
78394ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_nu4", "excellent steplength; greatly increase radius", "", tl->nu4, &tl->nu4,NULL);CHKERRQ(ierr);
78494ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_omega1", "", "", tl->omega1, &tl->omega1,NULL);CHKERRQ(ierr);
78594ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_omega2", "", "", tl->omega2, &tl->omega2,NULL);CHKERRQ(ierr);
78694ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_omega3", "", "", tl->omega3, &tl->omega3,NULL);CHKERRQ(ierr);
78794ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_omega4", "", "", tl->omega4, &tl->omega4,NULL);CHKERRQ(ierr);
78894ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_omega5", "", "", tl->omega5, &tl->omega5,NULL);CHKERRQ(ierr);
78994ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_mu1_i", "", "", tl->mu1_i, &tl->mu1_i,NULL);CHKERRQ(ierr);
79094ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_mu2_i", "", "", tl->mu2_i, &tl->mu2_i,NULL);CHKERRQ(ierr);
79194ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_gamma1_i", "", "", tl->gamma1_i, &tl->gamma1_i,NULL);CHKERRQ(ierr);
79294ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_gamma2_i", "", "", tl->gamma2_i, &tl->gamma2_i,NULL);CHKERRQ(ierr);
79394ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_gamma3_i", "", "", tl->gamma3_i, &tl->gamma3_i,NULL);CHKERRQ(ierr);
79494ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_gamma4_i", "", "", tl->gamma4_i, &tl->gamma4_i,NULL);CHKERRQ(ierr);
79594ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_theta_i", "", "", tl->theta_i, &tl->theta_i,NULL);CHKERRQ(ierr);
79694ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_mu1", "", "", tl->mu1, &tl->mu1,NULL);CHKERRQ(ierr);
79794ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_mu2", "", "", tl->mu2, &tl->mu2,NULL);CHKERRQ(ierr);
79894ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_gamma1", "", "", tl->gamma1, &tl->gamma1,NULL);CHKERRQ(ierr);
79994ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_gamma2", "", "", tl->gamma2, &tl->gamma2,NULL);CHKERRQ(ierr);
80094ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_gamma3", "", "", tl->gamma3, &tl->gamma3,NULL);CHKERRQ(ierr);
80194ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_gamma4", "", "", tl->gamma4, &tl->gamma4,NULL);CHKERRQ(ierr);
80294ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_theta", "", "", tl->theta, &tl->theta,NULL);CHKERRQ(ierr);
80394ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_min_radius", "lower bound on initial radius", "", tl->min_radius, &tl->min_radius,NULL);CHKERRQ(ierr);
80494ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_max_radius", "upper bound on radius", "", tl->max_radius, &tl->max_radius,NULL);CHKERRQ(ierr);
80594ae4db5SBarry Smith   ierr = PetscOptionsReal("-tao_ntl_epsilon", "tolerance used when computing actual and predicted reduction", "", tl->epsilon, &tl->epsilon,NULL);CHKERRQ(ierr);
806a7e14dcfSSatish Balay   ierr = PetscOptionsTail();CHKERRQ(ierr);
807a7e14dcfSSatish Balay   ierr = TaoLineSearchSetFromOptions(tao->linesearch);CHKERRQ(ierr);
808a7e14dcfSSatish Balay   ierr = KSPSetFromOptions(tao->ksp);CHKERRQ(ierr);
809a7e14dcfSSatish Balay   PetscFunctionReturn(0);
810a7e14dcfSSatish Balay }
811a7e14dcfSSatish Balay 
812a7e14dcfSSatish Balay /*------------------------------------------------------------*/
813441846f8SBarry Smith static PetscErrorCode TaoView_NTL(Tao tao, PetscViewer viewer)
814a7e14dcfSSatish Balay {
815a7e14dcfSSatish Balay   TAO_NTL        *tl = (TAO_NTL *)tao->data;
816a7e14dcfSSatish Balay   PetscInt       nrejects;
817a7e14dcfSSatish Balay   PetscBool      isascii;
818a7e14dcfSSatish Balay   PetscErrorCode ierr;
819a7e14dcfSSatish Balay 
820a7e14dcfSSatish Balay   PetscFunctionBegin;
821a7e14dcfSSatish Balay   ierr = PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&isascii);CHKERRQ(ierr);
822a7e14dcfSSatish Balay   if (isascii) {
823a7e14dcfSSatish Balay     ierr = PetscViewerASCIIPushTab(viewer);CHKERRQ(ierr);
824a7e14dcfSSatish Balay     if (NTL_PC_BFGS == tl->pc_type && tl->M) {
825a7e14dcfSSatish Balay       ierr = MatLMVMGetRejects(tl->M, &nrejects);CHKERRQ(ierr);
826a7e14dcfSSatish Balay       ierr = PetscViewerASCIIPrintf(viewer, "Rejected matrix updates: %D\n", nrejects);CHKERRQ(ierr);
827a7e14dcfSSatish Balay     }
828a7e14dcfSSatish Balay     ierr = PetscViewerASCIIPrintf(viewer, "Trust-region steps: %D\n", tl->ntrust);CHKERRQ(ierr);
829a7e14dcfSSatish Balay     ierr = PetscViewerASCIIPrintf(viewer, "Newton search steps: %D\n", tl->newt);CHKERRQ(ierr);
830a7e14dcfSSatish Balay     ierr = PetscViewerASCIIPrintf(viewer, "BFGS search steps: %D\n", tl->bfgs);CHKERRQ(ierr);
831a7e14dcfSSatish Balay     ierr = PetscViewerASCIIPrintf(viewer, "Scaled gradient search steps: %D\n", tl->sgrad);CHKERRQ(ierr);
832a7e14dcfSSatish Balay     ierr = PetscViewerASCIIPrintf(viewer, "Gradient search steps: %D\n", tl->grad);CHKERRQ(ierr);
833a7e14dcfSSatish Balay     ierr = PetscViewerASCIIPopTab(viewer);CHKERRQ(ierr);
834a7e14dcfSSatish Balay   }
835a7e14dcfSSatish Balay   PetscFunctionReturn(0);
836a7e14dcfSSatish Balay }
837a7e14dcfSSatish Balay 
838a7e14dcfSSatish Balay /* ---------------------------------------------------------- */
8391522df2eSJason Sarich /*MC
8401522df2eSJason Sarich   TAONTR - Newton's method with trust region and linesearch
8411522df2eSJason Sarich   for unconstrained minimization.
8421522df2eSJason Sarich   At each iteration, the Newton trust region method solves the system for d
8431522df2eSJason Sarich   and performs a line search in the d direction:
8441522df2eSJason Sarich 
8451522df2eSJason Sarich             min_d  .5 dT Hk d + gkT d,  s.t.   ||d|| < Delta_k
8461522df2eSJason Sarich 
8471522df2eSJason Sarich   Options Database Keys:
84855119615STodd Munson + -tao_ntl_pc_type - "none","ahess","bfgs","petsc"
8491522df2eSJason Sarich . -tao_ntl_bfgs_scale_type - type of scaling with bfgs pc, "ahess" or "bfgs"
8501522df2eSJason Sarich . -tao_ntl_init_type - "constant","direction","interpolation"
8511522df2eSJason Sarich . -tao_ntl_update_type - "reduction","interpolation"
8521522df2eSJason Sarich . -tao_ntl_min_radius - lower bound on trust region radius
8531522df2eSJason Sarich . -tao_ntl_max_radius - upper bound on trust region radius
8541522df2eSJason Sarich . -tao_ntl_epsilon - tolerance for accepting actual / predicted reduction
8551522df2eSJason Sarich . -tao_ntl_mu1_i - mu1 interpolation init factor
8561522df2eSJason Sarich . -tao_ntl_mu2_i - mu2 interpolation init factor
8571522df2eSJason Sarich . -tao_ntl_gamma1_i - gamma1 interpolation init factor
8581522df2eSJason Sarich . -tao_ntl_gamma2_i - gamma2 interpolation init factor
8591522df2eSJason Sarich . -tao_ntl_gamma3_i - gamma3 interpolation init factor
8601522df2eSJason Sarich . -tao_ntl_gamma4_i - gamma4 interpolation init factor
8611522df2eSJason Sarich . -tao_ntl_theta_i - thetha1 interpolation init factor
8621522df2eSJason Sarich . -tao_ntl_eta1 - eta1 reduction update factor
8631522df2eSJason Sarich . -tao_ntl_eta2 - eta2 reduction update factor
8641522df2eSJason Sarich . -tao_ntl_eta3 - eta3 reduction update factor
8651522df2eSJason Sarich . -tao_ntl_eta4 - eta4 reduction update factor
8661522df2eSJason Sarich . -tao_ntl_alpha1 - alpha1 reduction update factor
8671522df2eSJason Sarich . -tao_ntl_alpha2 - alpha2 reduction update factor
8681522df2eSJason Sarich . -tao_ntl_alpha3 - alpha3 reduction update factor
8691522df2eSJason Sarich . -tao_ntl_alpha4 - alpha4 reduction update factor
8701522df2eSJason Sarich . -tao_ntl_alpha4 - alpha4 reduction update factor
8711522df2eSJason Sarich . -tao_ntl_mu1 - mu1 interpolation update
8721522df2eSJason Sarich . -tao_ntl_mu2 - mu2 interpolation update
8731522df2eSJason Sarich . -tao_ntl_gamma1 - gamma1 interpolcation update
8741522df2eSJason Sarich . -tao_ntl_gamma2 - gamma2 interpolcation update
8751522df2eSJason Sarich . -tao_ntl_gamma3 - gamma3 interpolcation update
8761522df2eSJason Sarich . -tao_ntl_gamma4 - gamma4 interpolation update
8771522df2eSJason Sarich - -tao_ntl_theta - theta1 interpolation update
8781522df2eSJason Sarich 
8791eb8069cSJason Sarich   Level: beginner
8801522df2eSJason Sarich M*/
8811522df2eSJason Sarich 
882728e0ed0SBarry Smith PETSC_EXTERN PetscErrorCode TaoCreate_NTL(Tao tao)
883a7e14dcfSSatish Balay {
884a7e14dcfSSatish Balay   TAO_NTL        *tl;
885a7e14dcfSSatish Balay   PetscErrorCode ierr;
8868caf6e8cSBarry Smith   const char     *morethuente_type = TAOLINESEARCHMT;
88753506e15SBarry Smith 
888a7e14dcfSSatish Balay   PetscFunctionBegin;
8893c9e27cfSGeoffrey Irving   ierr = PetscNewLog(tao,&tl);CHKERRQ(ierr);
890a7e14dcfSSatish Balay   tao->ops->setup = TaoSetUp_NTL;
891a7e14dcfSSatish Balay   tao->ops->solve = TaoSolve_NTL;
892a7e14dcfSSatish Balay   tao->ops->view = TaoView_NTL;
893a7e14dcfSSatish Balay   tao->ops->setfromoptions = TaoSetFromOptions_NTL;
894a7e14dcfSSatish Balay   tao->ops->destroy = TaoDestroy_NTL;
895a7e14dcfSSatish Balay 
8966552cf8aSJason Sarich   /* Override default settings (unless already changed) */
8976552cf8aSJason Sarich   if (!tao->max_it_changed) tao->max_it = 50;
8986552cf8aSJason Sarich   if (!tao->trust0_changed) tao->trust0 = 100.0;
8996552cf8aSJason Sarich 
900a7e14dcfSSatish Balay   tao->data = (void*)tl;
901a7e14dcfSSatish Balay 
902a7e14dcfSSatish Balay   /* Default values for trust-region radius update based on steplength */
903a7e14dcfSSatish Balay   tl->nu1 = 0.25;
904a7e14dcfSSatish Balay   tl->nu2 = 0.50;
905a7e14dcfSSatish Balay   tl->nu3 = 1.00;
906a7e14dcfSSatish Balay   tl->nu4 = 1.25;
907a7e14dcfSSatish Balay 
908a7e14dcfSSatish Balay   tl->omega1 = 0.25;
909a7e14dcfSSatish Balay   tl->omega2 = 0.50;
910a7e14dcfSSatish Balay   tl->omega3 = 1.00;
911a7e14dcfSSatish Balay   tl->omega4 = 2.00;
912a7e14dcfSSatish Balay   tl->omega5 = 4.00;
913a7e14dcfSSatish Balay 
914a7e14dcfSSatish Balay   /* Default values for trust-region radius update based on reduction */
915a7e14dcfSSatish Balay   tl->eta1 = 1.0e-4;
916a7e14dcfSSatish Balay   tl->eta2 = 0.25;
917a7e14dcfSSatish Balay   tl->eta3 = 0.50;
918a7e14dcfSSatish Balay   tl->eta4 = 0.90;
919a7e14dcfSSatish Balay 
920a7e14dcfSSatish Balay   tl->alpha1 = 0.25;
921a7e14dcfSSatish Balay   tl->alpha2 = 0.50;
922a7e14dcfSSatish Balay   tl->alpha3 = 1.00;
923a7e14dcfSSatish Balay   tl->alpha4 = 2.00;
924a7e14dcfSSatish Balay   tl->alpha5 = 4.00;
925a7e14dcfSSatish Balay 
926a7e14dcfSSatish Balay   /* Default values for trust-region radius update based on interpolation */
927a7e14dcfSSatish Balay   tl->mu1 = 0.10;
928a7e14dcfSSatish Balay   tl->mu2 = 0.50;
929a7e14dcfSSatish Balay 
930a7e14dcfSSatish Balay   tl->gamma1 = 0.25;
931a7e14dcfSSatish Balay   tl->gamma2 = 0.50;
932a7e14dcfSSatish Balay   tl->gamma3 = 2.00;
933a7e14dcfSSatish Balay   tl->gamma4 = 4.00;
934a7e14dcfSSatish Balay 
935a7e14dcfSSatish Balay   tl->theta = 0.05;
936a7e14dcfSSatish Balay 
937a7e14dcfSSatish Balay   /* Default values for trust region initialization based on interpolation */
938a7e14dcfSSatish Balay   tl->mu1_i = 0.35;
939a7e14dcfSSatish Balay   tl->mu2_i = 0.50;
940a7e14dcfSSatish Balay 
941a7e14dcfSSatish Balay   tl->gamma1_i = 0.0625;
942a7e14dcfSSatish Balay   tl->gamma2_i = 0.5;
943a7e14dcfSSatish Balay   tl->gamma3_i = 2.0;
944a7e14dcfSSatish Balay   tl->gamma4_i = 5.0;
945a7e14dcfSSatish Balay 
946a7e14dcfSSatish Balay   tl->theta_i = 0.25;
947a7e14dcfSSatish Balay 
948a7e14dcfSSatish Balay   /* Remaining parameters */
949a7e14dcfSSatish Balay   tl->min_radius = 1.0e-10;
950a7e14dcfSSatish Balay   tl->max_radius = 1.0e10;
951a7e14dcfSSatish Balay   tl->epsilon = 1.0e-6;
952a7e14dcfSSatish Balay 
953a7e14dcfSSatish Balay   tl->pc_type         = NTL_PC_BFGS;
954a7e14dcfSSatish Balay   tl->bfgs_scale_type = BFGS_SCALE_AHESS;
955a7e14dcfSSatish Balay   tl->init_type       = NTL_INIT_INTERPOLATION;
956a7e14dcfSSatish Balay   tl->update_type     = NTL_UPDATE_REDUCTION;
957a7e14dcfSSatish Balay 
958a7e14dcfSSatish Balay   ierr = TaoLineSearchCreate(((PetscObject)tao)->comm, &tao->linesearch);CHKERRQ(ierr);
959*63b15415SAlp Dener   ierr = PetscObjectIncrementTabLevel((PetscObject)tao->linesearch, (PetscObject)tao, 1);CHKERRQ(ierr);
960a7e14dcfSSatish Balay   ierr = TaoLineSearchSetType(tao->linesearch, morethuente_type);CHKERRQ(ierr);
961441846f8SBarry Smith   ierr = TaoLineSearchUseTaoRoutines(tao->linesearch, tao);CHKERRQ(ierr);
9625d527766SPatrick Farrell   ierr = TaoLineSearchSetOptionsPrefix(tao->linesearch,tao->hdr.prefix);CHKERRQ(ierr);
963a7e14dcfSSatish Balay   ierr = KSPCreate(((PetscObject)tao)->comm,&tao->ksp);CHKERRQ(ierr);
964*63b15415SAlp Dener   ierr = PetscObjectIncrementTabLevel((PetscObject)tao->ksp, (PetscObject)tao, 1);CHKERRQ(ierr);
9655d527766SPatrick Farrell   ierr = KSPSetOptionsPrefix(tao->ksp,tao->hdr.prefix);CHKERRQ(ierr);
96655119615STodd Munson   ierr = KSPSetType(tao->ksp,KSPCGSTCG);CHKERRQ(ierr);
967a7e14dcfSSatish Balay   PetscFunctionReturn(0);
968a7e14dcfSSatish Balay }
969