Tempus_WrapperModelEvaluatorPairPartIMEX_CombinedFSA_impl.hpp

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//@HEADER
// *****************************************************************************
//          Tempus: Time Integration and Sensitivity Analysis Package
//
// Copyright 2017 NTESS and the Tempus contributors.
// SPDX-License-Identifier: BSD-3-Clause
// *****************************************************************************
//@HEADER
 
#ifndef Tempus_ModelEvaluatorPairPartIMEX_CombinedFSA_impl_hpp
#define Tempus_ModelEvaluatorPairPartIMEX_CombinedFSA_impl_hpp
 
#include "Thyra_VectorStdOps.hpp"
#include "Thyra_MultiVectorStdOps.hpp"
 
namespace Tempus {
 
template <typename Scalar>
WrapperModelEvaluatorPairPartIMEX_CombinedFSA<Scalar>::
    WrapperModelEvaluatorPairPartIMEX_CombinedFSA(
        const Teuchos::RCP<const WrapperModelEvaluatorPairPartIMEX_Basic<
            Scalar> >& forwardModel,
        const Teuchos::RCP<const Teuchos::ParameterList>& pList)
  : forwardModel_(forwardModel),
    use_dfdp_as_tangent_(false),
    y_tangent_index_(3)
{
  using Teuchos::RCP;
  using Teuchos::rcp;
  using Thyra::multiVectorProductVectorSpace;
 
  RCP<Teuchos::ParameterList> pl = Teuchos::parameterList();
  if (pList != Teuchos::null) *pl = *pList;
  pl->validateParametersAndSetDefaults(*this->getValidParameters());
  use_dfdp_as_tangent_ = pl->get<bool>("Use DfDp as Tangent");
  y_tangent_index_     = pl->get<int>("Sensitivity Y Tangent Index");
  pl->remove("Sensitivity Y Tangent Index");
 
  appExplicitModel_ = forwardModel_->getExplicitModel();
  appImplicitModel_ = forwardModel_->getImplicitModel();
  fsaExplicitModel_ = rcp(
      new FSAME(appExplicitModel_, appExplicitModel_, appExplicitModel_, pl));
  fsaImplicitModel_ = rcp(
      new FSAME(appImplicitModel_, appImplicitModel_, appImplicitModel_, pl));
 
  const int y_param_index    = forwardModel_->getParameterIndex();
  const int sens_param_index = pl->get<int>("Sensitivity Parameter Index");
  const int num_sens_param =
      appImplicitModel_->get_p_space(sens_param_index)->dim();
  RCP<const Thyra::VectorSpaceBase<Scalar> > explicit_y_space =
      appImplicitModel_->get_p_space(y_param_index);
  RCP<const Thyra::VectorSpaceBase<Scalar> > implicit_x_space =
      appImplicitModel_->get_x_space();
  explicit_y_dydp_prod_space_ =
      multiVectorProductVectorSpace(explicit_y_space, num_sens_param + 1);
  explicit_dydp_prod_space_ =
      multiVectorProductVectorSpace(explicit_y_space, num_sens_param);
  imex_x_dxdp_prod_space_ =
      multiVectorProductVectorSpace(implicit_x_space, num_sens_param + 1);
 
  Base::setup(fsaExplicitModel_, fsaImplicitModel_,
              forwardModel_->getNumExplicitOnlyBlocks(), y_param_index);
}
 
template <typename Scalar>
void WrapperModelEvaluatorPairPartIMEX_CombinedFSA<Scalar>::initialize()
{
  using Teuchos::RCP;
  using Teuchos::rcp_dynamic_cast;
 
  this->useImplicitModel_       = true;
  this->wrapperImplicitInArgs_  = this->createInArgs();
  this->wrapperImplicitOutArgs_ = this->createOutArgs();
  this->useImplicitModel_       = false;
 
  RCP<const Thyra::VectorBase<Scalar> > z =
      this->explicitModel_->getNominalValues().get_x();
 
  // A Thyra::VectorSpace requirement
  TEUCHOS_TEST_FOR_EXCEPTION(
      !(getIMEXVector(z)->space()->isCompatible(
          *(this->implicitModel_->get_x_space()))),
      std::logic_error,
      "Error - WrapperModelEvaluatorPairIMEX_CombinedFSA::initialize()\n"
          << "  Explicit and Implicit vector x spaces are incompatible!\n"
          << "  Explicit vector x space = "
          << *(getIMEXVector(z)->space())
          << "\n  Implicit vector x space = "
          << *(this->implicitModel_->get_x_space()) << "\n");
 
  // Valid number of blocks?
  const RCP<const DMVPV> z_dmvpv = rcp_dynamic_cast<const DMVPV>(z, true);
  const RCP<const Thyra::MultiVectorBase<Scalar> > z_mv =
      z_dmvpv->getMultiVector();
  RCP<const PMVB> zPVector = rcp_dynamic_cast<const PMVB>(z_mv);
  TEUCHOS_TEST_FOR_EXCEPTION(
      zPVector == Teuchos::null, std::logic_error,
      "Error - WrapperModelEvaluatorPairPartIMEX_CombinedFSA::initialize()\n"
      "  was given a VectorBase that could not be cast to a\n"
      "  ProductVectorBase!\n");
 
  int numBlocks = zPVector->productSpace()->numBlocks();
 
  TEUCHOS_TEST_FOR_EXCEPTION(
      !(0 <= this->numExplicitOnlyBlocks_ &&
        this->numExplicitOnlyBlocks_ < numBlocks),
      std::logic_error,
      "Error - WrapperModelEvaluatorPairPartIMEX_CombinedFSA::initialize()\n"
      "Invalid number of explicit-only blocks = "
          << this->numExplicitOnlyBlocks_
          << "\nShould be in the interval [0, numBlocks) = [0, "
          << numBlocks << ")\n");
}
 
template <typename Scalar>
Teuchos::RCP<const Thyra::VectorSpaceBase<Scalar> >
WrapperModelEvaluatorPairPartIMEX_CombinedFSA<Scalar>::get_p_space(int i) const
{
  if (this->useImplicitModel_) {
    if (i == this->parameterIndex_)
      return explicit_y_dydp_prod_space_;
    else
      return appImplicitModel_->get_p_space(i);
  }
 
  return appExplicitModel_->get_p_space(i);
}
 
template <typename Scalar>
Teuchos::RCP<Thyra::VectorBase<Scalar> >
WrapperModelEvaluatorPairPartIMEX_CombinedFSA<Scalar>::getIMEXVector(
    const Teuchos::RCP<Thyra::VectorBase<Scalar> >& full) const
{
  using Teuchos::RCP;
  using Teuchos::rcp_dynamic_cast;
  using Thyra::MultiVectorBase;
  using Thyra::multiVectorProductVector;
  using Thyra::VectorBase;
 
  // CombinedFSA ME stores vectors as DMVPV's.  To extract the implicit
  // part of the vector, cast it to DMVPV,  extract the multi-vector,
  // cast it to a product multi-vector, extract the IMEX block, then
  // create a DMVPV from it.
 
  if (full == Teuchos::null) return Teuchos::null;
 
  if (this->numExplicitOnlyBlocks_ == 0) return full;
 
  const RCP<DMVPV> full_dmvpv = rcp_dynamic_cast<DMVPV>(full, true);
  const RCP<MultiVectorBase<Scalar> > full_mv =
      full_dmvpv->getNonconstMultiVector();
  const RCP<PMVB> blk_full_mv = rcp_dynamic_cast<PMVB>(full_mv, true);
 
  // special case where the implicit terms are not blocked
  const int numBlocks         = blk_full_mv->productSpace()->numBlocks();
  const int numExplicitBlocks = this->numExplicitOnlyBlocks_;
  if (numBlocks == numExplicitBlocks + 1) {
    const RCP<MultiVectorBase<Scalar> > imex_mv =
        blk_full_mv->getNonconstMultiVectorBlock(numExplicitBlocks);
    return multiVectorProductVector(imex_x_dxdp_prod_space_, imex_mv);
  }
 
  // Not supposed to get here, apparently
  TEUCHOS_ASSERT(false);
  return Teuchos::null;
}
 
template <typename Scalar>
Teuchos::RCP<const Thyra::VectorBase<Scalar> >
WrapperModelEvaluatorPairPartIMEX_CombinedFSA<Scalar>::getIMEXVector(
    const Teuchos::RCP<const Thyra::VectorBase<Scalar> >& full) const
{
  using Teuchos::RCP;
  using Teuchos::rcp_dynamic_cast;
  using Thyra::MultiVectorBase;
  using Thyra::multiVectorProductVector;
  using Thyra::VectorBase;
 
  // CombinedFSA ME stores vectors as DMVPV's.  To extract the implicit
  // part of the vector, cast it to DMVPV,  extract the multi-vector,
  // cast it to a product multi-vector, extract the IMEX block, then
  // create a DMVPV from it.
 
  if (full == Teuchos::null) return Teuchos::null;
 
  if (this->numExplicitOnlyBlocks_ == 0) return full;
 
  const RCP<const DMVPV> full_dmvpv = rcp_dynamic_cast<const DMVPV>(full, true);
  const RCP<const MultiVectorBase<Scalar> > full_mv =
      full_dmvpv->getMultiVector();
  const RCP<const PMVB> blk_full_mv =
      rcp_dynamic_cast<const PMVB>(full_mv, true);
 
  // special case where the implicit terms are not blocked
  const int numBlocks         = blk_full_mv->productSpace()->numBlocks();
  const int numExplicitBlocks = this->numExplicitOnlyBlocks_;
  if (numBlocks == numExplicitBlocks + 1) {
    const RCP<const MultiVectorBase<Scalar> > imex_mv =
        blk_full_mv->getMultiVectorBlock(numExplicitBlocks);
    return multiVectorProductVector(imex_x_dxdp_prod_space_, imex_mv);
  }
 
  // Not supposed to get here, apparently
  TEUCHOS_ASSERT(false);
  return Teuchos::null;
}
 
template <typename Scalar>
Teuchos::RCP<Thyra::VectorBase<Scalar> >
WrapperModelEvaluatorPairPartIMEX_CombinedFSA<Scalar>::getExplicitOnlyVector(
    const Teuchos::RCP<Thyra::VectorBase<Scalar> >& full) const
{
  using Teuchos::RCP;
  using Teuchos::rcp_dynamic_cast;
  using Thyra::MultiVectorBase;
  using Thyra::multiVectorProductVector;
  using Thyra::multiVectorProductVectorSpace;
  using Thyra::VectorBase;
 
  // CombinedFSA ME stores vectors as DMVPV's.  To extract the explicit
  // part of the vector, cast it to DMVPV,  extract the multi-vector,
  // cast it to a product multi-vector, extract the explicit block, then
  // create a DMVPV from it.
 
  if (full == Teuchos::null) return Teuchos::null;
 
  if (this->numExplicitOnlyBlocks_ == 0) return full;
 
  const RCP<DMVPV> full_dmvpv = rcp_dynamic_cast<DMVPV>(full, true);
  const RCP<MultiVectorBase<Scalar> > full_mv =
      full_dmvpv->getNonconstMultiVector();
  const RCP<PMVB> blk_full_mv = rcp_dynamic_cast<PMVB>(full_mv, true);
 
  // special case where the explicit terms are not blocked
  const int numExplicitBlocks = this->numExplicitOnlyBlocks_;
  if (numExplicitBlocks == 1) {
    const RCP<MultiVectorBase<Scalar> > explicit_mv =
        blk_full_mv->getNonconstMultiVectorBlock(0);
    return multiVectorProductVector(explicit_y_dydp_prod_space_, explicit_mv);
  }
 
  // Not supposed to get here, apparently
  TEUCHOS_ASSERT(false);
  return Teuchos::null;
}
 
template <typename Scalar>
Teuchos::RCP<const Thyra::VectorBase<Scalar> >
WrapperModelEvaluatorPairPartIMEX_CombinedFSA<Scalar>::getExplicitOnlyVector(
    const Teuchos::RCP<const Thyra::VectorBase<Scalar> >& full) const
{
  using Teuchos::RCP;
  using Teuchos::rcp_dynamic_cast;
  using Thyra::MultiVectorBase;
  using Thyra::multiVectorProductVector;
  using Thyra::multiVectorProductVectorSpace;
  using Thyra::VectorBase;
 
  // CombinedFSA ME stores vectors as DMVPV's.  To extract the explicit
  // part of the vector, cast it to DMVPV,  extract the multi-vector,
  // cast it to a product multi-vector, extract the explicit block, then
  // create a DMVPV from it.
 
  if (full == Teuchos::null) return Teuchos::null;
 
  if (this->numExplicitOnlyBlocks_ == 0) return full;
 
  const RCP<const DMVPV> full_dmvpv = rcp_dynamic_cast<const DMVPV>(full, true);
  const RCP<const MultiVectorBase<Scalar> > full_mv =
      full_dmvpv->getMultiVector();
  const RCP<const PMVB> blk_full_mv =
      rcp_dynamic_cast<const PMVB>(full_mv, true);
 
  // special case where the explicit terms are not blocked
  const int numExplicitBlocks = this->numExplicitOnlyBlocks_;
  if (numExplicitBlocks == 1) {
    const RCP<const MultiVectorBase<Scalar> > explicit_mv =
        blk_full_mv->getMultiVectorBlock(0);
    return multiVectorProductVector(explicit_y_dydp_prod_space_, explicit_mv);
  }
 
  // Not supposed to get here, apparently
  TEUCHOS_ASSERT(false);
  return Teuchos::null;
}
 
template <typename Scalar>
Teuchos::RCP<const Thyra::ModelEvaluator<Scalar> >
WrapperModelEvaluatorPairPartIMEX_CombinedFSA<Scalar>::getForwardModel() const
{
  return forwardModel_;
}
 
template <typename Scalar>
Thyra::ModelEvaluatorBase::InArgs<Scalar>
WrapperModelEvaluatorPairPartIMEX_CombinedFSA<Scalar>::createInArgs() const
{
  using Teuchos::RCP;
  using Teuchos::rcp_dynamic_cast;
  using Thyra::createMember;
 
  Thyra::ModelEvaluatorBase::InArgs<Scalar> inArgs = Base::createInArgs();
 
  // Set p to be the correct product vector form for the explicit only vector y
  if (this->useImplicitModel_ == true) {
    RCP<const Thyra::VectorBase<Scalar> > y =
        inArgs.get_p(this->parameterIndex_);
    if (y != Teuchos::null) {
      RCP<DMVPV> y_dydp =
          rcp_dynamic_cast<DMVPV>(createMember(*explicit_y_dydp_prod_space_));
      Thyra::assign(y_dydp->getNonconstMultiVector().ptr(), Scalar(0.0));
      Thyra::assign(y_dydp->getNonconstMultiVector()->col(0).ptr(), *y);
      inArgs.set_p(this->parameterIndex_, y_dydp);
    }
  }
  return inArgs;
}
 
template <typename Scalar>
void WrapperModelEvaluatorPairPartIMEX_CombinedFSA<Scalar>::evalModelImpl(
    const Thyra::ModelEvaluatorBase::InArgs<Scalar>& inArgs,
    const Thyra::ModelEvaluatorBase::OutArgs<Scalar>& outArgs) const
{
  typedef Thyra::ModelEvaluatorBase MEB;
  using Teuchos::Range1D;
  using Teuchos::RCP;
  using Teuchos::rcp_dynamic_cast;
 
  const int p_index = this->parameterIndex_;
 
  //
  // From Base::evalModelImpl()
  //
  RCP<const Thyra::VectorBase<Scalar> > x = inArgs.get_x();
  RCP<Thyra::VectorBase<Scalar> > x_dot =
      Thyra::createMember(fsaImplicitModel_->get_x_space());
  this->timeDer_->compute(x, x_dot);
 
  MEB::InArgs<Scalar> fsaImplicitInArgs(this->wrapperImplicitInArgs_);
  MEB::OutArgs<Scalar> fsaImplicitOutArgs(this->wrapperImplicitOutArgs_);
  fsaImplicitInArgs.set_x(x);
  fsaImplicitInArgs.set_x_dot(x_dot);
  for (int i = 0; i < fsaImplicitModel_->Np(); ++i) {
    // Copy over parameters except for the parameter for explicit-only vector!
    if ((inArgs.get_p(i) != Teuchos::null) && (i != p_index))
      fsaImplicitInArgs.set_p(i, inArgs.get_p(i));
  }
 
  // p-vector for index parameterIndex_ is part of the IMEX solution vector,
  // and therefore is an n+1 column multi-vector where n is the number of
  // sensitivity parameters.  Pull out the sensitivity components before
  // passing along to the ME, then use them for adding in dg/dy*dy/dp term.
  RCP<const Thyra::VectorBase<Scalar> > y;
  RCP<const Thyra::MultiVectorBase<Scalar> > dydp;
  if (fsaImplicitInArgs.get_p(p_index) != Teuchos::null) {
    RCP<const Thyra::VectorBase<Scalar> > p = fsaImplicitInArgs.get_p(p_index);
    RCP<const Thyra::MultiVectorBase<Scalar> > p_mv =
        rcp_dynamic_cast<const DMVPV>(p, true)->getMultiVector();
    const int num_param = p_mv->domain()->dim() - 1;
    y                   = p_mv->col(0);
    dydp                = p_mv->subView(Range1D(1, num_param));
    fsaImplicitInArgs.set_p(p_index, y);
  }
  if (use_dfdp_as_tangent_) {
    RCP<const Thyra::VectorBase<Scalar> > dydp_vec =
        Thyra::multiVectorProductVector(explicit_dydp_prod_space_, dydp);
    fsaImplicitInArgs.set_p(y_tangent_index_, dydp_vec);
  }
 
  fsaImplicitOutArgs.set_f(outArgs.get_f());
  fsaImplicitOutArgs.set_W_op(outArgs.get_W_op());
 
  fsaImplicitModel_->evalModel(fsaImplicitInArgs, fsaImplicitOutArgs);
 
  // Compute derivative of implicit residual with respect to explicit only
  // vector y, which is passed as a parameter
  if (!use_dfdp_as_tangent_ && outArgs.get_f() != Teuchos::null) {
    MEB::InArgs<Scalar> appImplicitInArgs =
        appImplicitModel_->getNominalValues();
    RCP<const Thyra::VectorBase<Scalar> > app_x =
        rcp_dynamic_cast<const DMVPV>(x, true)->getMultiVector()->col(0);
    RCP<const Thyra::VectorBase<Scalar> > app_x_dot =
        rcp_dynamic_cast<const DMVPV>(x_dot, true)->getMultiVector()->col(0);
    appImplicitInArgs.set_x(app_x);
    appImplicitInArgs.set_x_dot(app_x_dot);
    for (int i = 0; i < appImplicitModel_->Np(); ++i) {
      if (i != p_index) appImplicitInArgs.set_p(i, inArgs.get_p(i));
    }
    appImplicitInArgs.set_p(p_index, y);
    if (appImplicitInArgs.supports(MEB::IN_ARG_t))
      appImplicitInArgs.set_t(inArgs.get_t());
    MEB::OutArgs<Scalar> appImplicitOutArgs =
        appImplicitModel_->createOutArgs();
    MEB::DerivativeSupport dfdp_support =
        appImplicitOutArgs.supports(MEB::OUT_ARG_DfDp, p_index);
    Thyra::EOpTransp trans = Thyra::NOTRANS;
    if (dfdp_support.supports(MEB::DERIV_LINEAR_OP)) {
      if (my_dfdp_op_ == Teuchos::null)
        my_dfdp_op_ = appImplicitModel_->create_DfDp_op(p_index);
      appImplicitOutArgs.set_DfDp(p_index,
                                  MEB::Derivative<Scalar>(my_dfdp_op_));
      trans = Thyra::NOTRANS;
    }
    else if (dfdp_support.supports(MEB::DERIV_MV_JACOBIAN_FORM)) {
      if (my_dfdp_mv_ == Teuchos::null)
        my_dfdp_mv_ = Thyra::createMembers(
            appImplicitModel_->get_f_space(),
            appImplicitModel_->get_p_space(p_index)->dim());
      appImplicitOutArgs.set_DfDp(
          p_index,
          MEB::Derivative<Scalar>(my_dfdp_mv_, MEB::DERIV_MV_JACOBIAN_FORM));
      my_dfdp_op_ = my_dfdp_mv_;
      trans       = Thyra::NOTRANS;
    }
    else if (dfdp_support.supports(MEB::DERIV_MV_GRADIENT_FORM)) {
      if (my_dfdp_mv_ == Teuchos::null)
        my_dfdp_mv_ =
            Thyra::createMembers(appImplicitModel_->get_p_space(p_index),
                                 appImplicitModel_->get_f_space()->dim());
      appImplicitOutArgs.set_DfDp(
          p_index,
          MEB::Derivative<Scalar>(my_dfdp_mv_, MEB::DERIV_MV_GRADIENT_FORM));
      my_dfdp_op_ = my_dfdp_mv_;
      trans       = Thyra::TRANS;
    }
    else
      TEUCHOS_TEST_FOR_EXCEPTION(true, std::logic_error,
                                 "Invalid df/dp support");
 
    appImplicitModel_->evalModel(appImplicitInArgs, appImplicitOutArgs);
 
    // Add df/dy*dy/dp term to residual
    RCP<DMVPV> f_dfdp   = rcp_dynamic_cast<DMVPV>(outArgs.get_f(), true);
    const int num_param = f_dfdp->getNonconstMultiVector()->domain()->dim() - 1;
    RCP<Thyra::MultiVectorBase<Scalar> > dfdp =
        f_dfdp->getNonconstMultiVector()->subView(Range1D(1, num_param));
    my_dfdp_op_->apply(trans, *dydp, dfdp.ptr(), Scalar(1.0), Scalar(1.0));
  }
}
 
template <typename Scalar>
Teuchos::RCP<const Teuchos::ParameterList>
WrapperModelEvaluatorPairPartIMEX_CombinedFSA<Scalar>::getValidParameters()
    const
{
  Teuchos::RCP<const Teuchos::ParameterList> fsa_pl =
      CombinedForwardSensitivityModelEvaluator<Scalar>::getValidParameters();
  Teuchos::RCP<Teuchos::ParameterList> pl = Teuchos::parameterList(*fsa_pl);
  pl->set<int>("Sensitivity Y Tangent Index", 3);
  return pl;
}
 
}  // namespace Tempus
 
#endif  // Tempus_ModelEvaluatorPairPartIMEX_CombinedFSA_impl_hpp