main workflow: split CollectSamples for TrainEQP.

LLNL · Apr 10, 2024 · 1dacb91 · 1dacb91
1 parent b500c52
commit 1dacb91
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Showing 4 changed files with 73 additions and 34 deletions.
diff --git a/include/main_workflow.hpp b/include/main_workflow.hpp
@@ -18,10 +18,13 @@ SampleGenerator* InitSampleGenerator(MPI_Comm comm);
 std::vector<std::string> GetGlobalBasisTagList(const TopologyHandlerMode &topol_mode, const TrainMode &train_mode, bool separate_variable_basis);
 
 void GenerateSamples(MPI_Comm comm);
+void CollectSamples(SampleGenerator *sample_generator);
 void BuildROM(MPI_Comm comm);
 void TrainROM(MPI_Comm comm);
-// supremizer-enrichment, hypre-reduction optimization, etc..
+// supremizer-enrichment etc..
 void AuxiliaryTrainROM(MPI_Comm comm, SampleGenerator *sample_generator);
+// EQP training, could include hypre-reduction optimization.
+void TrainEQP(MPI_Comm comm);
 // Input parsing routine to list out all snapshot files for training a basis.
 void FindSnapshotFilesForBasis(const std::string &basis_tag, const std::string &default_filename, std::vector<std::string> &file_list);
 // return relative error if comparing solution.

diff --git a/include/sample_generator.hpp b/include/sample_generator.hpp
@@ -96,11 +96,18 @@ class SampleGenerator
 
    void ReportStatus(const int &sample_idx);
 
-   // Perform SVD over snapshot for basis_tag. Calculate the coverage for ref_num_basis (optional).
-   void FormReducedBasis(const std::string &basis_prefix,
+   /*
+      Collect snapshot matrices from the file list to the specified basis tag.
+   */
+   void CollectSnapshots(const std::string &basis_prefix,
                          const std::string &basis_tag,
-                         const std::vector<std::string> &file_list,
-                         const int &ref_num_basis = -1);
+                         const std::vector<std::string> &file_list);
+   /*
+      Perform SVD over snapshot for basis_tag.
+      Calculate the energy fraction for num_basis.
+      CollectSnapshots must be executed before this.
+   */
+   void FormReducedBasis(const std::string &basis_prefix);
 
 private:
    const int GetDimFromSnapshots(const std::string &filename);

diff --git a/src/main_workflow.cpp b/src/main_workflow.cpp
@@ -224,9 +224,9 @@ void GenerateSamples(MPI_Comm comm)
    config.dict_ = dict0;
 }
 
-void TrainROM(MPI_Comm comm)
+void CollectSamples(SampleGenerator *sample_generator)
 {
-   SampleGenerator *sample_generator = InitSampleGenerator(comm);
+   assert(sample_generator);
 
    TopologyHandlerMode topol_mode = SetTopologyHandlerMode();
    TrainMode train_mode = SetTrainMode();
@@ -239,7 +239,6 @@ void TrainROM(MPI_Comm comm)
    YAML::Node basis_list = config.FindNode("basis/tags");
 
    std::string basis_prefix = config.GetOption<std::string>("basis/prefix", "basis");
-   const int num_basis_default = config.GetOption<int>("basis/number_of_basis", -1);
 
    // loop over the required basis tag list.
    for (int p = 0; p < basis_tags.size(); p++)
@@ -250,29 +249,18 @@ void TrainROM(MPI_Comm comm)
       FindSnapshotFilesForBasis(basis_tags[p], default_filename, file_list);
       assert(file_list.size() > 0);
 
-      int num_basis;
+      sample_generator->CollectSnapshots(basis_prefix, basis_tags[p], file_list);
+   }  // for (int p = 0; p < basis_tags.size(); p++)
+}
 
-      // if optional inputs are specified, parse them first.
-      if (basis_list)
-      {
-         // Find if additional inputs are specified for basis_tags[p].
-         YAML::Node basis_tag_input = config.LookUpFromDict("name", basis_tags[p], basis_list);
-
-         // If basis_tags[p] has additional inputs, parse them.
-         // parse tag-specific number of basis.
-         if (basis_tag_input)
-            num_basis = config.GetOptionFromDict<int>("number_of_basis", num_basis_default, basis_tag_input);
-         else
-            num_basis = num_basis_default;
-      }
-      else
-         // if additional inputs are not specified, use default number of basis.
-         num_basis = num_basis_default;
+void TrainROM(MPI_Comm comm)
+{
+   SampleGenerator *sample_generator = InitSampleGenerator(comm);
 
-      assert(num_basis > 0);
+   std::string basis_prefix = config.GetOption<std::string>("basis/prefix", "basis");
+   CollectSamples(sample_generator);
 
-      sample_generator->FormReducedBasis(basis_prefix, basis_tags[p], file_list, num_basis);
-   }  // for (int p = 0; p < basis_tags.size(); p++)
+   sample_generator->FormReducedBasis(basis_prefix);
 
    AuxiliaryTrainROM(comm, sample_generator);
 
@@ -330,6 +318,11 @@ void AuxiliaryTrainROM(MPI_Comm comm, SampleGenerator *sample_generator)
    }
 }
 
+void TrainEQP(MPI_Comm comm)
+{
+
+}
+
 void FindSnapshotFilesForBasis(const std::string &basis_tag, const std::string &default_filename, std::vector<std::string> &file_list)
 {
    file_list.clear();

diff --git a/src/sample_generator.cpp b/src/sample_generator.cpp
@@ -243,10 +243,9 @@ void SampleGenerator::ReportStatus(const int &sample_idx)
    printf("==============================================\n");
 }
 
-void SampleGenerator::FormReducedBasis(const std::string &basis_prefix,
+void SampleGenerator::CollectSnapshots(const std::string &basis_prefix,
                                        const std::string &basis_tag,
-                                       const std::vector<std::string> &file_list,
-                                       const int &ref_num_basis)
+                                       const std::vector<std::string> &file_list)
 {
    // Get dimension from the first snapshot file.
    const int fom_num_vdof = GetDimFromSnapshots(file_list[0]);
@@ -265,9 +264,46 @@ void SampleGenerator::FormReducedBasis(const std::string &basis_prefix,
 
    for (int s = 0; s < file_list.size(); s++)
       basis_generator->loadSamples(file_list[s], "snapshot", 1e9, CAROM::Database::formats::HDF5_MPIO);
+}
+
+void SampleGenerator::FormReducedBasis(const std::string &basis_prefix)
+{
+   assert(snapshot_generators.Size() > 0);
+   assert(snapshot_generators.Size() == basis_tags.size());
+
+   const int num_basis_default = config.GetOption<int>("basis/number_of_basis", -1);
+   int num_basis;
+   std::string basis_name;
 
-   basis_generator->endSamples(); // save the merged basis file
-   SaveSV(basis_generator, basis_name, ref_num_basis);
+   // tag-specific optional inputs.
+   YAML::Node basis_list = config.FindNode("basis/tags");
+   for (int k = 0; k < snapshot_generators.Size(); k++)
+   {
+      assert(snapshot_generators[k]);
+      assert(snapshot_generators[k]->getNumSamples() > 0);
+      snapshot_generators[k]->endSamples();
+
+      // if optional inputs are specified, parse them first.
+      if (basis_list)
+      {
+         // Find if additional inputs are specified for basis_tags[p].
+         YAML::Node basis_tag_input = config.LookUpFromDict("name", basis_tags[k], basis_list);
+
+         // If basis_tags[p] has additional inputs, parse them.
+         // parse tag-specific number of basis.
+         if (basis_tag_input)
+            num_basis = config.GetOptionFromDict<int>("number_of_basis", num_basis_default, basis_tag_input);
+         else
+            num_basis = num_basis_default;
+      }
+      else
+         // if additional inputs are not specified, use default number of basis.
+         num_basis = num_basis_default;
+
+      assert(num_basis > 0);
+      basis_name = GetBaseFilename(basis_prefix, basis_tags[k]);
+      SaveSV(snapshot_generators[k], basis_name, num_basis);
+   }
 }
 
 const int SampleGenerator::GetDimFromSnapshots(const std::string &filename)
@@ -324,7 +360,7 @@ void SampleGenerator::SaveSV(CAROM::BasisGenerator *basis_generator, const std::
    }
    if (rom_sv->dim() == ref_num_basis) coverage = total;
    coverage /= total;
-   printf("Coverage: %.7f%%\n", coverage * 100.0);
+   printf("Energy fraction with %d basis: %.7f%%\n", ref_num_basis, coverage * 100.0);
 
    // TODO: hdf5 format + parallel case.
    std::string filename = prefix + "_sv.txt";