Merge Pull Request trilinos#12770 from dridzal/Trilinos/rol-trilinos-sync

Automatically Merged using Trilinos Pull Request AutoTester
PR Title: b'ROL Trilinos Sync 23-Feb-2024'
PR Author: dridzal

Author: trilinos-autotester

packages/rol/CMakeLists.txt

@@ -24,6 +24,12 @@ TRIBITS_ADD_OPTION_AND_DEFINE(${PACKAGE_NAME}_ENABLE_TIMERS
   OFF
   )
 
+TRIBITS_ADD_OPTION_AND_DEFINE(${PACKAGE_NAME}_ENABLE_PYROL
+  ENABLE_PYBIND11_PYROL
+  "Build ROL with PyROL interface."
+  OFF
+  )
+
 # Build Options
 SET( CMAKE_MODULE_PATH ${CMAKE_MODULE_PATH} ${CMAKE_CURRENT_SOURCE_DIR}/cmake)
 INCLUDE(BuildOptions)
@@ -49,6 +55,10 @@ IF (ROL_ENABLE_ArrayFireCPU)
   ADD_SUBDIRECTORY(adapters/arrayfire)
 ENDIF()
 
+IF( ROL_ENABLE_PYROL ) 
+  ADD_SUBDIRECTORY(pyrol)
+ENDIF()
+
 # Adapters which require use of Teuchos
 
 #GET_PROPERTY( PTR_STRING GLOBAL PROPERTY PTR_IMPL )

packages/rol/cmake/PythonTest.cmake

@@ -0,0 +1,22 @@
+MACRO(PYTHON_ADD_TEST TEST_NAME)
+
+  TRIBITS_ADD_TEST(
+    ${PYTHON_EXECUTABLE}
+    NOEXEPREFIX
+    NOEXESUFFIX
+    NAME PYTHON_${TEST_NAME}
+    ARGS "-m unittest ${TEST_NAME}.py"
+    NUM_MPI_PROCS 1
+    PASS_REGULAR_EXPRESSION "OK"
+    ${ARGN}
+    )
+
+  IF(TPL_ENABLE_MPI)
+    tribits_set_tests_properties(ROL_PYTHON_${TEST_NAME}_MPI_1
+      PROPERTIES ENVIRONMENT "${PyROL_PYTHONPATH}")
+  ELSE()
+    tribits_set_tests_properties(ROL_PYTHON_${TEST_NAME}
+      PROPERTIES ENVIRONMENT "${PyROL_PYTHONPATH}")
+  ENDIF()
+
+ENDMACRO(PYTHON_ADD_TEST TEST_NAME)

packages/rol/cmake/ROL_config.h.in

@@ -51,3 +51,6 @@
 
 /* Define for performance timer support. */
 #cmakedefine ROL_TIMERS
+
+/* Define for python interface support. */
+#cmakedefine ENABLE_PYBIND11_PYROL

packages/rol/example/PDE-OPT/dynamic/adv_diff/CMakeLists.txt

@@ -19,6 +19,11 @@ IF(${PROJECT_NAME}_ENABLE_Intrepid AND
     SOURCES example_02.cpp
     ADD_DIR_TO_NAME
   )
+  TRIBITS_ADD_EXECUTABLE(
+    example_03
+    SOURCES example_03.cpp
+    ADD_DIR_TO_NAME
+  )
   TRIBITS_COPY_FILES_TO_BINARY_DIR(
     ParabolicDataCopy
     SOURCE_FILES

packages/rol/example/PDE-OPT/dynamic/adv_diff/example_03.cpp

@@ -0,0 +1,283 @@
+// @HEADER
+// ************************************************************************
+//
+//               Rapid Optimization Library (ROL) Package
+//                 Copyright (2014) Sandia Corporation
+//
+// Under terms of Contract DE-AC04-94AL85000, there is a non-exclusive
+// license for use of this work by or on behalf of the U.S. Government.
+//
+// Redistribution and use in source and binary forms, with or without
+// modification, are permitted provided that the following conditions are
+// met:
+//
+// 1. Redistributions of source code must retain the above copyright
+// notice, this list of conditions and the following disclaimer.
+//
+// 2. Redistributions in binary form must reproduce the above copyright
+// notice, this list of conditions and the following disclaimer in the
+// documentation and/or other materials provided with the distribution.
+//
+// 3. Neither the name of the Corporation nor the names of the
+// contributors may be used to endorse or promote products derived from
+// this software without specific prior written permission.
+//
+// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
+// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
+// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
+// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
+// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
+// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
+// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+//
+// Questions? Contact lead developers:
+//              Drew Kouri   (dpkouri@sandia.gov) and
+//              Denis Ridzal (dridzal@sandia.gov)
+//
+// ************************************************************************
+// @HEADER
+
+/*! \file  example_01.cpp
+    \brief Solves a source inversion problem governed by the
+           advection-diffusion equation.
+*/
+
+#include "Teuchos_Comm.hpp"
+#include "Teuchos_GlobalMPISession.hpp"
+#include "Tpetra_Core.hpp"
+#include "Tpetra_Version.hpp"
+
+#include "ROL_Stream.hpp"
+#include "ROL_ParameterList.hpp"
+#include "ROL_Solver.hpp"
+#include "ROL_ReducedDynamicObjective.hpp"
+#include "ROL_Bounds.hpp"
+#include "ROL_DynamicConstraintCheck.hpp"
+#include "ROL_DynamicObjectiveCheck.hpp"
+#include "ROL_TypeBIndicatorObjective.hpp"
+#include <iostream>
+//#include <fenv.h>
+
+#include "../../TOOLS/meshmanager.hpp"
+#include "../../TOOLS/lindynconstraint.hpp"
+#include "../../TOOLS/ltiobjective.hpp"
+#include "../../TOOLS/pdevector.hpp"
+#include "../../TOOLS/pdeobjective.hpp"
+#include "dynpde_adv_diff.hpp"
+#include "obj_adv_diff.hpp"
+#include "mesh_adv_diff.hpp"
+#include "l1penaltydynamic.hpp"
+
+#include "ROL_TypeP_TrustRegionAlgorithm.hpp"
+
+
+int main(int argc, char *argv[]) {
+//  feenableexcept(FE_DIVBYZERO | FE_INVALID | FE_OVERFLOW);
+
+  using RealT = double;
+
+  /*** Initialize communicator. ***/
+  Teuchos::GlobalMPISession mpiSession(&argc, &argv);
+  ROL::Ptr<const Teuchos::Comm<int>> comm
+    = Tpetra::getDefaultComm();
+
+  // This little trick lets us print to std::cout only if a (dummy) command-line argument is provided.
+  const int myRank = comm->getRank();
+  ROL::Ptr<std::ostream> outStream = ROL::makeStreamPtr( std::cout, (argc > 1) && (myRank==0) );
+
+  int errorFlag  = 0;
+
+  // *** Example body.
+  try {
+
+    /*** Read in XML input ***/
+    ROL::Ptr<ROL::ParameterList> parlist = ROL::getParametersFromXmlFile("input.xml");
+    int nt         = parlist->sublist("Time Discretization").get("Number of Time Steps", 100);
+    RealT T        = parlist->sublist("Time Discretization").get("End Time",             1.0);
+    RealT dt       = T/static_cast<RealT>(nt);
+    int controlDim = 9;
+
+    /*************************************************************************/
+    /***************** BUILD GOVERNING PDE ***********************************/
+    /*************************************************************************/
+    /*** Initialize main data structure. ***/
+    ROL::Ptr<MeshManager<RealT>> meshMgr
+      = ROL::makePtr<MeshManager_adv_diff<RealT>>(*parlist);
+    // Initialize PDE describing advection-diffusion equation
+    ROL::Ptr<DynamicPDE_adv_diff<RealT>> pde
+      = ROL::makePtr<DynamicPDE_adv_diff<RealT>>(*parlist);
+
+    /*************************************************************************/
+    /***************** BUILD CONSTRAINT **************************************/
+    /*************************************************************************/
+    bool isLTI = !parlist->sublist("Problem").get("Time Varying Coefficients",false);
+    ROL::Ptr<LinDynConstraint<RealT>> dyn_con
+      = ROL::makePtr<LinDynConstraint<RealT>>(pde,meshMgr,comm,*parlist,isLTI,*outStream);
+    dyn_con->getAssembler()->printMeshData(*outStream);
+
+    /*************************************************************************/
+    /***************** BUILD STATE VECTORS ***********************************/
+    /*************************************************************************/
+    ROL::Ptr<Tpetra::MultiVector<>> u0_ptr, uo_ptr, un_ptr, ck_ptr;
+    u0_ptr = dyn_con->getAssembler()->createStateVector();
+    uo_ptr = dyn_con->getAssembler()->createStateVector();
+    un_ptr = dyn_con->getAssembler()->createStateVector();
+    ck_ptr = dyn_con->getAssembler()->createResidualVector();
+    ROL::Ptr<ROL::Vector<RealT>> u0, uo, un, ck, zk;
+    u0 = ROL::makePtr<PDE_PrimalSimVector<RealT>>(u0_ptr,pde,*dyn_con->getAssembler());
+    uo = ROL::makePtr<PDE_PrimalSimVector<RealT>>(uo_ptr,pde,*dyn_con->getAssembler());
+    un = ROL::makePtr<PDE_PrimalSimVector<RealT>>(un_ptr,pde,*dyn_con->getAssembler());
+    ck = ROL::makePtr<PDE_DualSimVector<RealT>>(ck_ptr,pde,*dyn_con->getAssembler());
+    zk = ROL::makePtr<PDE_OptVector<RealT>>(ROL::makePtr<ROL::StdVector<RealT>>(controlDim));
+    ROL::Ptr<ROL::PartitionedVector<RealT>> z
+      = ROL::PartitionedVector<RealT>::create(*zk, nt);
+
+    /*************************************************************************/
+    /***************** BUILD COST FUNCTIONAL *********************************/
+    /*************************************************************************/
+    std::vector<ROL::Ptr<QoI<RealT>>> qoi_vec(2,ROL::nullPtr);
+    qoi_vec[0] = ROL::makePtr<QoI_State_Cost_adv_diff<RealT>>(pde->getFE());
+    qoi_vec[1] = ROL::makePtr<QoI_State_MY_adv_diff<RealT>>(pde->getFE());
+    RealT stateCost   = parlist->sublist("Problem").get("State Cost",1e5);
+    RealT myCost      = 1e0;
+    std::vector<RealT> wts = {stateCost, myCost};
+    ROL::Ptr<ROL::Objective_SimOpt<RealT>> obj_k
+      = ROL::makePtr<PDE_Objective<RealT>>(qoi_vec,wts,dyn_con->getAssembler());
+    ROL::Ptr<LTI_Objective<RealT>> dyn_obj
+      = ROL::makePtr<LTI_Objective<RealT>>(*parlist,obj_k,false);
+
+    /*************************************************************************/
+    /***************** BUILD REDUCED COST FUNCTIONAL *************************/
+    /*************************************************************************/
+    std::vector<ROL::TimeStamp<RealT>> timeStamp(nt);
+    for( int k=0; k<nt; ++k ) {
+      timeStamp.at(k).t.resize(2);
+      timeStamp.at(k).t.at(0) = k*dt;
+      timeStamp.at(k).t.at(1) = (k+1)*dt;
+    }
+    ROL::ParameterList &rpl = parlist->sublist("Reduced Dynamic Objective");
+    ROL::Ptr<ROL::ReducedDynamicObjective<RealT>> obj
+      = ROL::makePtr<ROL::ReducedDynamicObjective<RealT>>(dyn_obj, dyn_con, u0, zk, ck, timeStamp, rpl, outStream);
+ 
+    /*************************************************************************/
+    /***************** BUILD BOUND CONSTRAINT AND L1 PENALTY *****************/
+    /*************************************************************************/
+    ROL::Ptr<ROL::PartitionedVector<RealT>> zlo = ROL::PartitionedVector<RealT>::create(*zk, nt);
+    ROL::Ptr<ROL::PartitionedVector<RealT>> zhi = ROL::PartitionedVector<RealT>::create(*zk, nt);
+    zlo->setScalar(-static_cast<RealT>(1)); zhi->setScalar(static_cast<RealT>(1));   
+    ROL::Ptr<L1_Dyn_Objective<RealT>> nobj
+      = ROL::makePtr<L1_Dyn_Objective<RealT>>(*parlist, timeStamp, zlo, zhi); 
+
+    /*************************************************************************/
+    /***************** RUN VECTOR AND DERIVATIVE CHECKS **********************/
+    /*************************************************************************/
+    bool checkDeriv = parlist->sublist("Problem").get("Check Derivatives",false);
+    if ( checkDeriv ) {
+      ROL::Ptr<ROL::PartitionedVector<RealT>> dz = ROL::PartitionedVector<RealT>::create(*zk, nt);
+      ROL::Ptr<ROL::PartitionedVector<RealT>> hz = ROL::PartitionedVector<RealT>::create(*zk, nt);
+      z->randomize(); dz->randomize(); hz->randomize();
+      zk->randomize(); uo->randomize(); un->randomize();
+      ROL::ValidateFunction<RealT> validate(1,13,20,11,true,*outStream);
+      ROL::DynamicObjectiveCheck<RealT>::check(*dyn_obj,validate,*uo,*un,*zk,timeStamp[0]);
+      ROL::DynamicConstraintCheck<RealT>::check(*dyn_con,validate,*uo,*un,*zk,timeStamp[0]);
+      obj->checkGradient(*z,*dz,true,*outStream);
+      obj->checkHessVec(*z,*dz,true,*outStream);
+      obj->checkHessSym(*z,*dz,*hz,true,*outStream);
+    }
+
+    /*************************************************************************/
+    /***************** SOLVE OPTIMIZATION PROBLEM ****************************/
+    /*************************************************************************/
+    RealT gtol(1e-2), zerr(0), ztol0(1e-6), ztol(1);
+    z->zero();
+    ROL::Ptr<ROL::Vector<RealT>> zprev = z->clone(), zdiff = z->clone();
+    ROL::Ptr<ROL::TypeP::TrustRegionAlgorithm<RealT>> algo;
+    parlist->sublist("Status Test").set("Use Relative Tolerances",false);
+    for (unsigned i = 0; i < 20; ++i) {
+      *outStream << std::endl << "Moreau-Yosida Parameter: "
+                 << myCost << std::endl
+                 << "Gradient Tolerance: "
+                 << gtol << std::endl << std::endl;
+
+      ztol = ztol0 / std::max(static_cast<RealT>(1),z->norm());
+      zprev->set(*z);
+      parlist->sublist("Status Test").set("Gradient Tolerance",gtol);
+      parlist->sublist("Status Test").set("Step Tolerance",static_cast<RealT>(1e-4)*gtol);
+      algo = ROL::makePtr<ROL::TypeP::TrustRegionAlgorithm<RealT>>(*parlist); 
+      std::clock_t timer = std::clock();
+      algo->run(*z, *obj, *nobj, *outStream); 
+      *outStream << "Optimization time: "
+                 << static_cast<RealT>(std::clock()-timer)/static_cast<RealT>(CLOCKS_PER_SEC)
+                 << " seconds." << std::endl << std::endl;
+      parlist->sublist("Reduced Dynamic Objective").set("State Rank", static_cast<int>(obj->getStateRank()));
+      parlist->sublist("Reduced Dynamic Objective").set("Adjoint Rank", static_cast<int>(obj->getAdjointRank()));
+      parlist->sublist("Reduced Dynamic Objective").set("State Sensitivity Rank", static_cast<int>(obj->getStateSensitivityRank()));
+
+      zdiff->set(*z); zdiff->axpy(static_cast<RealT>(-1),*zprev);
+      zerr = zdiff->norm();
+      *outStream << std::endl << "Control Difference: "
+                 << zerr << std::endl << std::endl;
+      if (zerr < ztol && algo->getState()->gnorm < static_cast<RealT>(1e-8)) break;
+
+      myCost *= static_cast<RealT>(2e0);
+      gtol   *= static_cast<RealT>(1e-1); gtol = std::max(gtol,static_cast<RealT>(1e-10));
+      wts     = {stateCost, myCost};
+      obj_k   = ROL::makePtr<PDE_Objective<RealT>>(qoi_vec,wts,dyn_con->getAssembler());
+      dyn_obj = ROL::makePtr<LTI_Objective<RealT>>(*parlist,obj_k,false);
+      obj     = ROL::makePtr<ROL::ReducedDynamicObjective<RealT>>(dyn_obj, dyn_con, u0, zk, ck, timeStamp, rpl, outStream);
+    }
+
+    /*************************************************************************/
+    /***************** OUTPUT RESULTS ****************************************/
+    /*************************************************************************/
+    std::clock_t timer_print = std::clock();
+    // Output control to file
+    if ( myRank == 0 ) {
+      ROL::Ptr<std::vector<RealT>> zn;
+      std::ofstream zfile;
+      zfile.open("control.txt");
+      zfile << std::scientific << std::setprecision(15);
+      for (int n = 0; n < nt; ++n) {
+        zn = ROL::dynamicPtrCast<PDE_OptVector<RealT>>(z->get(n))->getParameter()->getVector();
+        for (int i = 0; i < controlDim; ++i) {
+          zfile << std::right << std::setw(25) << (*zn)[i];
+        }
+        zfile << std::endl;
+      }
+      zfile.close();
+    }
+    // Output state to file
+    uo->set(*u0); un->zero();
+    for (int k = 1; k < nt; ++k) {
+      // Print previous state to file
+      std::stringstream ufile;
+      ufile << "state." << k-1 << ".txt";
+      dyn_con->outputTpetraVector(uo_ptr, ufile.str());
+      // Advance time stepper
+      dyn_con->solve(*ck, *uo, *un, *z->get(k), timeStamp[k]);
+      uo->set(*un);
+    }
+    // Print previous state to file
+    std::stringstream ufile;
+    ufile << "state." << nt-1 << ".txt";
+    dyn_con->outputTpetraVector(uo_ptr, ufile.str());
+    *outStream << "Output time: "
+               << static_cast<RealT>(std::clock()-timer_print)/static_cast<RealT>(CLOCKS_PER_SEC)
+               << " seconds." << std::endl << std::endl;
+  }
+  catch (std::logic_error& err) {
+    *outStream << err.what() << "\n";
+    errorFlag = -1000;
+  }; // end try
+
+  if (errorFlag != 0)
+    std::cout << "End Result: TEST FAILED\n";
+  else
+    std::cout << "End Result: TEST PASSED\n";
+
+  return 0;
+}