#include typedef enum {SNES_QN_SEQUENTIAL, SNES_QN_COMPOSED} SNESQNCompositionType; typedef struct { Vec *dX; /* The change in X */ Vec *dF; /* The change in F */ PetscInt m; /* the number of kept previous steps */ PetscScalar *alpha; PetscScalar *beta; PetscScalar *rho; PetscViewer monitor; PetscReal powell_gamma; /* Powell angle restart condition */ PetscReal powell_downhill; /* Powell descent restart condition */ PetscReal scaling; /* scaling of H0 */ SNESQNCompositionType compositiontype; /* determine if the composition is done sequentially or as a composition */ } SNES_QN; #undef __FUNCT__ #define __FUNCT__ "LBGFSApplyJinv_Private" PetscErrorCode LBGFSApplyJinv_Private(SNES snes, PetscInt it, Vec D, Vec Y) { PetscErrorCode ierr; SNES_QN *qn = (SNES_QN*)snes->data; Vec *dX = qn->dX; Vec *dF = qn->dF; PetscScalar *alpha = qn->alpha; PetscScalar *beta = qn->beta; PetscScalar *rho = qn->rho; PetscInt k, i; PetscInt m = qn->m; PetscScalar t; PetscInt l = m; PetscFunctionBegin; ierr = VecCopy(D, Y);CHKERRQ(ierr); if (it < m) l = it; /* outward recursion starting at iteration k's update and working back */ for (i = 0; i < l; i++) { k = (it - i - 1) % l; ierr = VecDot(dX[k], Y, &t);CHKERRQ(ierr); alpha[k] = t*rho[k]; if (qn->monitor) { ierr = PetscViewerASCIIAddTab(qn->monitor,((PetscObject)snes)->tablevel+2);CHKERRQ(ierr); ierr = PetscViewerASCIIPrintf(qn->monitor, "it: %d k: %d alpha: %14.12e\n", it, k, PetscRealPart(alpha[k]));CHKERRQ(ierr); ierr = PetscViewerASCIISubtractTab(qn->monitor,((PetscObject)snes)->tablevel+2);CHKERRQ(ierr); } ierr = VecAXPY(Y, -alpha[k], dF[k]);CHKERRQ(ierr); } ierr = VecScale(Y, qn->scaling);CHKERRQ(ierr); /* inward recursion starting at the first update and working forward */ for (i = 0; i < l; i++) { k = (it + i - l) % l; ierr = VecDot(dF[k], Y, &t);CHKERRQ(ierr); beta[k] = rho[k]*t; ierr = VecAXPY(Y, (alpha[k] - beta[k]), dX[k]); if (qn->monitor) { ierr = PetscViewerASCIIAddTab(qn->monitor,((PetscObject)snes)->tablevel+2);CHKERRQ(ierr); ierr = PetscViewerASCIIPrintf(qn->monitor, "it: %d k: %d alpha - beta: %14.12e\n", it, k, PetscRealPart(alpha[k] - beta[k]));CHKERRQ(ierr); ierr = PetscViewerASCIISubtractTab(qn->monitor,((PetscObject)snes)->tablevel+2);CHKERRQ(ierr); } } PetscFunctionReturn(0); } #undef __FUNCT__ #define __FUNCT__ "SNESSolve_QN" static PetscErrorCode SNESSolve_QN(SNES snes) { PetscErrorCode ierr; SNES_QN *qn = (SNES_QN*) snes->data; Vec X, Xold; Vec F, G, B; Vec W, Y, FPC, D, Dold; SNESConvergedReason reason; PetscInt i, i_r, k; PetscReal fnorm, xnorm = 0, ynorm, gnorm; PetscInt m = qn->m; PetscBool lssucceed, changed; PetscScalar rhosc; Vec *dX = qn->dX; Vec *dF = qn->dF; PetscScalar *rho = qn->rho; PetscScalar DolddotD, DolddotDold, DdotD, YdotD, a; /* basically just a regular newton's method except for the application of the jacobian */ PetscFunctionBegin; X = snes->vec_sol; /* solution vector */ F = snes->vec_func; /* residual vector */ Y = snes->vec_sol_update; /* search direction generated by J^-1D*/ B = snes->vec_rhs; G = snes->work[0]; W = snes->work[1]; Xold = snes->work[2]; /* directions generated by the preconditioned problem with F_pre = F or x - M(x, b) */ D = snes->work[3]; Dold = snes->work[4]; snes->reason = SNES_CONVERGED_ITERATING; ierr = PetscObjectTakeAccess(snes);CHKERRQ(ierr); snes->iter = 0; snes->norm = 0.; ierr = PetscObjectGrantAccess(snes);CHKERRQ(ierr); ierr = SNESComputeFunction(snes,X,F);CHKERRQ(ierr); if (snes->domainerror) { snes->reason = SNES_DIVERGED_FUNCTION_DOMAIN; PetscFunctionReturn(0); } ierr = VecNorm(F, NORM_2, &fnorm);CHKERRQ(ierr); /* fnorm <- ||F|| */ if (PetscIsInfOrNanReal(fnorm)) SETERRQ(PETSC_COMM_SELF,PETSC_ERR_FP,"Infinite or not-a-number generated in norm"); ierr = PetscObjectTakeAccess(snes);CHKERRQ(ierr); snes->norm = fnorm; ierr = PetscObjectGrantAccess(snes);CHKERRQ(ierr); SNESLogConvHistory(snes,fnorm,0); ierr = SNESMonitor(snes,0,fnorm);CHKERRQ(ierr); /* set parameter for default relative tolerance convergence test */ snes->ttol = fnorm*snes->rtol; /* test convergence */ ierr = (*snes->ops->converged)(snes,0,0.0,0.0,fnorm,&snes->reason,snes->cnvP);CHKERRQ(ierr); if (snes->reason) PetscFunctionReturn(0); /* composed solve -- either sequential or composed */ if (snes->pc) { if (qn->compositiontype == SNES_QN_SEQUENTIAL) { ierr = SNESSolve(snes->pc, B, X);CHKERRQ(ierr); ierr = SNESGetConvergedReason(snes->pc,&reason);CHKERRQ(ierr); if (reason < 0 && (reason != SNES_DIVERGED_MAX_IT)) { snes->reason = SNES_DIVERGED_INNER; PetscFunctionReturn(0); } ierr = SNESGetFunction(snes->pc, &FPC, PETSC_NULL, PETSC_NULL);CHKERRQ(ierr); ierr = VecCopy(FPC, F);CHKERRQ(ierr); ierr = SNESGetFunctionNorm(snes->pc, &fnorm);CHKERRQ(ierr); ierr = VecCopy(F, Y);CHKERRQ(ierr); } else { ierr = VecCopy(X, Y);CHKERRQ(ierr); ierr = SNESSolve(snes->pc, B, Y);CHKERRQ(ierr); ierr = SNESGetConvergedReason(snes->pc,&reason);CHKERRQ(ierr); if (reason < 0 && (reason != SNES_DIVERGED_MAX_IT)) { snes->reason = SNES_DIVERGED_INNER; PetscFunctionReturn(0); } ierr = VecAYPX(Y,-1.0,X);CHKERRQ(ierr); } } else { ierr = VecCopy(F, Y);CHKERRQ(ierr); } ierr = VecCopy(Y, D);CHKERRQ(ierr); for(i = 0, i_r = 0; i < snes->max_its; i++, i_r++) { /* line search for lambda */ ynorm = 1; gnorm = fnorm; ierr = VecCopy(D, Dold);CHKERRQ(ierr); ierr = VecCopy(X, Xold);CHKERRQ(ierr); ierr = SNESLineSearchPreCheckApply(snes,X,Y,&changed);CHKERRQ(ierr); ierr = SNESLineSearchApply(snes,X,F,Y,fnorm,xnorm,W,G,&ynorm,&gnorm,&lssucceed);CHKERRQ(ierr); if (snes->reason == SNES_DIVERGED_FUNCTION_COUNT) break; if (snes->domainerror) { snes->reason = SNES_DIVERGED_FUNCTION_DOMAIN; PetscFunctionReturn(0); } if (!lssucceed) { if (++snes->numFailures >= snes->maxFailures) { snes->reason = SNES_DIVERGED_LINE_SEARCH; break; } } /* Update function and solution vectors */ fnorm = gnorm; ierr = VecCopy(G,F);CHKERRQ(ierr); ierr = VecCopy(W,X);CHKERRQ(ierr); /* convergence monitoring */ ierr = PetscInfo4(snes,"fnorm=%18.16e, gnorm=%18.16e, ynorm=%18.16e, lssucceed=%d\n",(double)fnorm,(double)gnorm,(double)ynorm,(int)lssucceed);CHKERRQ(ierr); ierr = SNESSetIterationNumber(snes, i+1);CHKERRQ(ierr); ierr = SNESSetFunctionNorm(snes, fnorm);CHKERRQ(ierr); SNESLogConvHistory(snes,snes->norm,snes->iter); ierr = SNESMonitor(snes,snes->iter,snes->norm);CHKERRQ(ierr); /* set parameter for default relative tolerance convergence test */ ierr = (*snes->ops->converged)(snes,snes->iter,0.0,0.0,fnorm,&snes->reason,snes->cnvP);CHKERRQ(ierr); if (snes->reason) PetscFunctionReturn(0); if (snes->pc) { if (qn->compositiontype == SNES_QN_SEQUENTIAL) { ierr = SNESSolve(snes->pc, B, X);CHKERRQ(ierr); ierr = SNESGetConvergedReason(snes->pc,&reason);CHKERRQ(ierr); if (reason < 0 && (reason != SNES_DIVERGED_MAX_IT)) { snes->reason = SNES_DIVERGED_INNER; PetscFunctionReturn(0); } ierr = SNESGetFunction(snes->pc, &FPC, PETSC_NULL, PETSC_NULL);CHKERRQ(ierr); ierr = VecCopy(FPC, F);CHKERRQ(ierr); ierr = SNESGetFunctionNorm(snes->pc, &fnorm);CHKERRQ(ierr); ierr = VecCopy(F, D);CHKERRQ(ierr); } else { ierr = VecCopy(X, D);CHKERRQ(ierr); ierr = SNESSolve(snes->pc, B, D);CHKERRQ(ierr); ierr = SNESGetConvergedReason(snes->pc,&reason);CHKERRQ(ierr); if (reason < 0 && (reason != SNES_DIVERGED_MAX_IT)) { snes->reason = SNES_DIVERGED_INNER; PetscFunctionReturn(0); } ierr = VecAYPX(D,-1.0,X);CHKERRQ(ierr); } } else { ierr = VecCopy(F, D);CHKERRQ(ierr); } /* check restart by Powell's Criterion: |F^T H_0 Fold| > 0.2 * |Fold^T H_0 Fold| */ ierr = VecDot(Dold, Dold, &DolddotDold);CHKERRQ(ierr); ierr = VecDot(Dold, D, &DolddotD);CHKERRQ(ierr); ierr = VecDot(D, D, &DdotD);CHKERRQ(ierr); ierr = VecDot(Y, D, &YdotD);CHKERRQ(ierr); if (PetscAbs(PetscRealPart(DolddotD)) > qn->powell_gamma*PetscAbs(PetscRealPart(DolddotDold))) { if (qn->monitor) { ierr = PetscViewerASCIIAddTab(qn->monitor,((PetscObject)snes)->tablevel+2);CHKERRQ(ierr); ierr = PetscViewerASCIIPrintf(qn->monitor, "restart! |%14.12e| > %4.2f*|%14.12e|\n", k, PetscRealPart(DolddotD), qn->powell_gamma, PetscRealPart(DolddotDold));CHKERRQ(ierr); ierr = PetscViewerASCIISubtractTab(qn->monitor,((PetscObject)snes)->tablevel+2);CHKERRQ(ierr); } i_r = -1; /* general purpose update */ if (snes->ops->update) { ierr = (*snes->ops->update)(snes, snes->iter);CHKERRQ(ierr); } ierr = VecCopy(D, Y);CHKERRQ(ierr); } else { /* set the differences */ k = i_r % m; ierr = VecCopy(D, dF[k]);CHKERRQ(ierr); ierr = VecAXPY(dF[k], -1.0, Dold);CHKERRQ(ierr); ierr = VecCopy(X, dX[k]);CHKERRQ(ierr); ierr = VecAXPY(dX[k], -1.0, Xold);CHKERRQ(ierr); ierr = VecDot(dX[k], dF[k], &rhosc);CHKERRQ(ierr); /* set scaling to be shanno scaling */ rho[k] = 1. / rhosc; ierr = VecDot(dF[k], dF[k], &a);CHKERRQ(ierr); qn->scaling = PetscRealPart(rhosc) / PetscRealPart(a); /* general purpose update */ if (snes->ops->update) { ierr = (*snes->ops->update)(snes, snes->iter);CHKERRQ(ierr); } /* apply the current iteration of the approximate jacobian in order to get the next search direction*/ ierr = LBGFSApplyJinv_Private(snes, i_r+1, D, Y);CHKERRQ(ierr); } } if (i == snes->max_its) { ierr = PetscInfo1(snes, "Maximum number of iterations has been reached: %D\n", snes->max_its);CHKERRQ(ierr); if (!snes->reason) snes->reason = SNES_DIVERGED_MAX_IT; } PetscFunctionReturn(0); } #undef __FUNCT__ #define __FUNCT__ "SNESSetUp_QN" static PetscErrorCode SNESSetUp_QN(SNES snes) { SNES_QN *qn = (SNES_QN*)snes->data; PetscErrorCode ierr; PetscFunctionBegin; ierr = VecDuplicateVecs(snes->vec_sol, qn->m, &qn->dX);CHKERRQ(ierr); ierr = VecDuplicateVecs(snes->vec_sol, qn->m, &qn->dF);CHKERRQ(ierr); ierr = PetscMalloc3(qn->m, PetscScalar, &qn->alpha, qn->m, PetscScalar, &qn->beta, qn->m, PetscScalar, &qn->rho);CHKERRQ(ierr); ierr = SNESDefaultGetWork(snes,5);CHKERRQ(ierr); PetscFunctionReturn(0); } #undef __FUNCT__ #define __FUNCT__ "SNESReset_QN" static PetscErrorCode SNESReset_QN(SNES snes) { PetscErrorCode ierr; SNES_QN *qn; PetscFunctionBegin; if (snes->data) { qn = (SNES_QN*)snes->data; if (qn->dX) { ierr = VecDestroyVecs(qn->m, &qn->dX);CHKERRQ(ierr); } if (qn->dF) { ierr = VecDestroyVecs(qn->m, &qn->dF);CHKERRQ(ierr); } ierr = PetscFree3(qn->alpha, qn->beta, qn->rho);CHKERRQ(ierr); } PetscFunctionReturn(0); } #undef __FUNCT__ #define __FUNCT__ "SNESDestroy_QN" static PetscErrorCode SNESDestroy_QN(SNES snes) { PetscErrorCode ierr; PetscFunctionBegin; ierr = SNESReset_QN(snes);CHKERRQ(ierr); ierr = PetscFree(snes->data);CHKERRQ(ierr); ierr = PetscObjectComposeFunctionDynamic((PetscObject)snes,"","",PETSC_NULL);CHKERRQ(ierr); PetscFunctionReturn(0); } #undef __FUNCT__ #define __FUNCT__ "SNESSetFromOptions_QN" static PetscErrorCode SNESSetFromOptions_QN(SNES snes) { PetscErrorCode ierr; SNES_QN *qn; const char *compositions[] = {"sequential", "composed"}; PetscInt indx = 0; PetscBool flg; PetscBool monflg = PETSC_FALSE; PetscFunctionBegin; qn = (SNES_QN*)snes->data; ierr = PetscOptionsHead("SNES QN options");CHKERRQ(ierr); ierr = PetscOptionsInt("-snes_qn_m", "Number of past states saved for L-BFGS methods", "SNESQN", qn->m, &qn->m, PETSC_NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-snes_qn_powell_gamma", "Powell angle tolerance", "SNESQN", qn->powell_gamma, &qn->powell_gamma, PETSC_NULL);CHKERRQ(ierr); ierr = PetscOptionsReal("-snes_qn_powell_downhill", "Powell descent tolerance", "SNESQN", qn->powell_downhill, &qn->powell_downhill, PETSC_NULL);CHKERRQ(ierr); ierr = PetscOptionsBool("-snes_qn_monitor", "Monitor for the QN methods", "SNESQN", monflg, &monflg, PETSC_NULL);CHKERRQ(ierr); ierr = PetscOptionsEList("-snes_qn_composition", "Composition type", "SNESQN",compositions,2,"sequential",&indx,&flg);CHKERRQ(ierr); if (flg) { switch (indx) { case 0: qn->compositiontype = SNES_QN_SEQUENTIAL; break; case 1: qn->compositiontype = SNES_QN_COMPOSED; break; } } ierr = PetscOptionsTail();CHKERRQ(ierr); if (monflg) { qn->monitor = PETSC_VIEWER_STDOUT_(((PetscObject)snes)->comm);CHKERRQ(ierr); } PetscFunctionReturn(0); } EXTERN_C_BEGIN #undef __FUNCT__ #define __FUNCT__ "SNESLineSearchSetType_QN" PetscErrorCode SNESLineSearchSetType_QN(SNES snes, SNESLineSearchType type) { PetscErrorCode ierr; PetscFunctionBegin; switch (type) { case SNES_LS_BASIC: ierr = SNESLineSearchSet(snes,SNESLineSearchNo,PETSC_NULL);CHKERRQ(ierr); break; case SNES_LS_BASIC_NONORMS: ierr = SNESLineSearchSet(snes,SNESLineSearchNoNorms,PETSC_NULL);CHKERRQ(ierr); break; case SNES_LS_QUADRATIC: ierr = SNESLineSearchSet(snes,SNESLineSearchQuadraticSecant,PETSC_NULL);CHKERRQ(ierr); break; case SNES_LS_SECANT: ierr = SNESLineSearchSet(snes,SNESLineSearchSecant,PETSC_NULL);CHKERRQ(ierr); break; default: SETERRQ(PETSC_COMM_SELF, PETSC_ERR_SUP,"Unknown line search type"); break; } snes->ls_type = type; PetscFunctionReturn(0); } EXTERN_C_END /* -------------------------------------------------------------------------- */ /*MC SNESQN - Limited-Memory Quasi-Newton methods for the solution of nonlinear systems. Options Database: + -snes_qn_m - Number of past states saved for the L-Broyden methods. - -snes_qn_monitor - Monitors the quasi-newton jacobian. Notes: This implements the L-BFGS algorithm for the solution of F(x) = b using previous change in F(x) and x to form the approximate inverse Jacobian using a series of multiplicative rank-one updates. This will eventually be generalized to implement several limited-memory Broyden methods. References: L-Broyden Methods: a generalization of the L-BFGS method to the limited memory Broyden family, M. B. Reed, International Journal of Computer Mathematics, vol. 86, 2009. Level: beginner .seealso: SNESCreate(), SNES, SNESSetType(), SNESLS, SNESTR M*/ EXTERN_C_BEGIN #undef __FUNCT__ #define __FUNCT__ "SNESCreate_QN" PetscErrorCode SNESCreate_QN(SNES snes) { PetscErrorCode ierr; SNES_QN *qn; PetscFunctionBegin; snes->ops->setup = SNESSetUp_QN; snes->ops->solve = SNESSolve_QN; snes->ops->destroy = SNESDestroy_QN; snes->ops->setfromoptions = SNESSetFromOptions_QN; snes->ops->view = 0; snes->ops->reset = SNESReset_QN; snes->usespc = PETSC_TRUE; snes->usesksp = PETSC_FALSE; snes->max_funcs = 30000; snes->max_its = 10000; ierr = PetscNewLog(snes,SNES_QN,&qn);CHKERRQ(ierr); snes->data = (void *) qn; qn->m = 30; qn->scaling = 1.0; qn->dX = PETSC_NULL; qn->dF = PETSC_NULL; qn->monitor = PETSC_NULL; qn->powell_gamma = 0.9; qn->powell_downhill = 0.2; qn->compositiontype = SNES_QN_SEQUENTIAL; ierr = PetscObjectComposeFunctionDynamic((PetscObject)snes,"SNESLineSearchSetType_C","SNESLineSearchSetType_QN",SNESLineSearchSetType_QN);CHKERRQ(ierr); ierr = SNESLineSearchSetType(snes, SNES_LS_SECANT);CHKERRQ(ierr); PetscFunctionReturn(0); } EXTERN_C_END