Tupek/differentiable block solver

src/smith/differentiable_numerics/differentiable_solid_mechanics.hpp

@@ -15,6 +15,7 @@
 #include "smith/differentiable_numerics/solid_mechanics_state_advancer.hpp"
 #include "smith/differentiable_numerics/time_discretized_weak_form.hpp"
 #include "smith/differentiable_numerics/differentiable_physics.hpp"
+#include "gretl/strumm_walther_checkpoint_strategy.hpp"
 
 namespace smith {
 
@@ -35,10 +36,11 @@ namespace smith {
 template <int dim, typename ShapeDispSpace, typename VectorSpace, typename... ParamSpaces>
 auto buildSolidMechanics(std::shared_ptr<smith::Mesh> mesh,
                          std::shared_ptr<DifferentiableSolver> d_solid_nonlinear_solver,
-                         smith::SecondOrderTimeIntegrationRule time_rule, size_t num_checkpoints,
+                         smith::ImplicitNewmarkSecondOrderTimeIntegrationRule time_rule, size_t num_checkpoints,
                          std::string physics_name, const std::vector<std::string>& param_names = {})
 {
-  auto graph = std::make_shared<gretl::DataStore>(num_checkpoints);
+  auto graph =
+      std::make_shared<gretl::DataStore>(std::make_unique<gretl::StrummWaltherCheckpointStrategy>(num_checkpoints));
   auto [shape_disp, states, params, time, solid_mechanics_weak_form] =
       SolidMechanicsStateAdvancer::buildWeakFormAndStates<dim, ShapeDispSpace, VectorSpace, ParamSpaces...>(
           mesh, graph, time_rule, physics_name, param_names);

src/smith/differentiable_numerics/differentiable_solver.cpp

@@ -266,18 +266,153 @@ std::vector<DifferentiableBlockSolver::FieldPtr> LinearDifferentiableBlockSolver
   return u_duals;
 }
 
+NonlinearDifferentiableBlockSolver::NonlinearDifferentiableBlockSolver(std::unique_ptr<EquationSolver> s)
+    : nonlinear_solver_(std::move(s))
+{
+}
+
+void NonlinearDifferentiableBlockSolver::completeSetup(const std::vector<FieldT>&)
+{
+  // TODO: eventually may need something like: initializeSolver(&nonlinear_solver_->preconditioner(), u);
+}
+
+std::vector<DifferentiableBlockSolver::FieldPtr> NonlinearDifferentiableBlockSolver::solve(
+    const std::vector<FieldPtr>& u_guesses,
+    std::function<std::vector<mfem::Vector>(const std::vector<FieldPtr>&)> residual_funcs,
+    std::function<std::vector<std::vector<MatrixPtr>>(const std::vector<FieldPtr>&)> jacobian_funcs) const
+{
+  SMITH_MARK_FUNCTION;
+
+  int num_rows = static_cast<int>(u_guesses.size());
+  SLIC_ERROR_IF(num_rows < 0, "Number of residual rows must be non-negative");
+
+  mfem::Array<int> block_offsets;
+  block_offsets.SetSize(num_rows + 1);
+  block_offsets[0] = 0;
+  for (int row_i = 0; row_i < num_rows; ++row_i) {
+    block_offsets[row_i + 1] = u_guesses[static_cast<size_t>(row_i)]->space().TrueVSize();
+  }
+  block_offsets.PartialSum();
+
+  auto block_u = std::make_unique<mfem::BlockVector>(block_offsets);
+  for (int row_i = 0; row_i < num_rows; ++row_i) {
+    block_u->GetBlock(row_i) = *u_guesses[static_cast<size_t>(row_i)];
+  }
+
+  auto block_r = std::make_unique<mfem::BlockVector>(block_offsets);
+
+  auto residual_op_ = std::make_unique<mfem_ext::StdFunctionOperator>(
+      block_u->Size(),
+      [&residual_funcs, num_rows, &u_guesses, &block_r](const mfem::Vector& u_, mfem::Vector& r_) {
+        const mfem::BlockVector* u = dynamic_cast<const mfem::BlockVector*>(&u_);
+        SLIC_ERROR_IF(!u, "Invalid u cast in block differentiable solver to a block vector");
+        for (int row_i = 0; row_i < num_rows; ++row_i) {
+          *u_guesses[static_cast<size_t>(row_i)] = u->GetBlock(row_i);
+        }
+        auto residuals = residual_funcs(u_guesses);
+        SLIC_ERROR_IF(!block_r, "Invalid r cast in block differentiable solver to a block vector");
+        for (int row_i = 0; row_i < num_rows; ++row_i) {
+          auto r = residuals[static_cast<size_t>(row_i)];
+          block_r->GetBlock(row_i) = r;
+        }
+        r_ = *block_r;
+      },
+      [this, &block_offsets, &u_guesses, jacobian_funcs, num_rows](const mfem::Vector& u_) -> mfem::Operator& {
+        const mfem::BlockVector* u = dynamic_cast<const mfem::BlockVector*>(&u_);
+        SLIC_ERROR_IF(!u, "Invalid u cast in block differentiable solver to a block vector");
+        for (int row_i = 0; row_i < num_rows; ++row_i) {
+          *u_guesses[static_cast<size_t>(row_i)] = u->GetBlock(row_i);
+        }
+        block_jac_ = std::make_unique<mfem::BlockOperator>(block_offsets);
+        matrix_of_jacs_ = jacobian_funcs(u_guesses);
+        for (int i = 0; i < num_rows; ++i) {
+          for (int j = 0; j < num_rows; ++j) {
+            auto& J = matrix_of_jacs_[static_cast<size_t>(i)][static_cast<size_t>(j)];
+            if (J) {
+              block_jac_->SetBlock(i, j, J.get());
+            }
+          }
+        }
+        return *block_jac_;
+      });
+  nonlinear_solver_->setOperator(*residual_op_);
+  nonlinear_solver_->solve(*block_u);
+
+  for (int row_i = 0; row_i < num_rows; ++row_i) {
+    *u_guesses[static_cast<size_t>(row_i)] = block_u->GetBlock(row_i);
+  }
+
+  return u_guesses;
+}
+
+std::vector<DifferentiableBlockSolver::FieldPtr> NonlinearDifferentiableBlockSolver::solveAdjoint(
+    const std::vector<DualPtr>& u_bars, std::vector<std::vector<MatrixPtr>>& jacobian_transposed) const
+{
+  SMITH_MARK_FUNCTION;
+
+  int num_rows = static_cast<int>(u_bars.size());
+  SLIC_ERROR_IF(num_rows < 0, "Number of residual rows must be non-negative");
+
+  std::vector<DifferentiableBlockSolver::FieldPtr> u_duals(static_cast<size_t>(num_rows));
+  for (int row_i = 0; row_i < num_rows; ++row_i) {
+    u_duals[static_cast<size_t>(row_i)] = std::make_shared<DifferentiableBlockSolver::FieldT>(
+        u_bars[static_cast<size_t>(row_i)]->space(), "u_dual_" + std::to_string(row_i));
+  }
+
+  mfem::Array<int> block_offsets;
+  block_offsets.SetSize(num_rows + 1);
+  block_offsets[0] = 0;
+  for (int row_i = 0; row_i < num_rows; ++row_i) {
+    block_offsets[row_i + 1] = u_bars[static_cast<size_t>(row_i)]->space().TrueVSize();
+  }
+  block_offsets.PartialSum();
+
+  auto block_ds = std::make_unique<mfem::BlockVector>(block_offsets);
+  *block_ds = 0.0;
+
+  auto block_r = std::make_unique<mfem::BlockVector>(block_offsets);
+  for (int row_i = 0; row_i < num_rows; ++row_i) {
+    block_r->GetBlock(row_i) = *u_bars[static_cast<size_t>(row_i)];
+  }
+
+  auto block_jac = std::make_unique<mfem::BlockOperator>(block_offsets);
+  for (int i = 0; i < num_rows; ++i) {
+    for (int j = 0; j < num_rows; ++j) {
+      block_jac->SetBlock(i, j, jacobian_transposed[static_cast<size_t>(i)][static_cast<size_t>(j)].get());
+    }
+  }
+
+  auto& linear_solver = nonlinear_solver_->linearSolver();
+  linear_solver.SetOperator(*block_jac);
+  linear_solver.Mult(*block_r, *block_ds);
+
+  for (int row_i = 0; row_i < num_rows; ++row_i) {
+    *u_duals[static_cast<size_t>(row_i)] = block_ds->GetBlock(row_i);
+  }
+
+  return u_duals;
+}
+
 std::shared_ptr<LinearDifferentiableSolver> buildDifferentiableLinearSolver(LinearSolverOptions linear_opts,
                                                                             const smith::Mesh& mesh)
 {
   auto [linear_solver, precond] = smith::buildLinearSolverAndPreconditioner(linear_opts, mesh.getComm());
   return std::make_shared<smith::LinearDifferentiableSolver>(std::move(linear_solver), std::move(precond));
 }
 
-std::shared_ptr<NonlinearDifferentiableSolver> buildDifferentiableNonlinearSolver(
-    smith::NonlinearSolverOptions nonlinear_opts, LinearSolverOptions linear_opts, const smith::Mesh& mesh)
+std::shared_ptr<NonlinearDifferentiableSolver> buildDifferentiableNonlinearSolver(NonlinearSolverOptions nonlinear_opts,
+                                                                                  LinearSolverOptions linear_opts,
+                                                                                  const smith::Mesh& mesh)
+{
+  auto solid_solver = std::make_unique<EquationSolver>(nonlinear_opts, linear_opts, mesh.getComm());
+  return std::make_shared<NonlinearDifferentiableSolver>(std::move(solid_solver));
+}
+
+std::shared_ptr<NonlinearDifferentiableBlockSolver> buildDifferentiableNonlinearBlockSolver(
+    NonlinearSolverOptions nonlinear_opts, LinearSolverOptions linear_opts, const smith::Mesh& mesh)
 {
-  auto solid_solver = std::make_unique<smith::EquationSolver>(nonlinear_opts, linear_opts, mesh.getComm());
-  return std::make_shared<smith::NonlinearDifferentiableSolver>(std::move(solid_solver));
+  auto solid_solver = std::make_unique<EquationSolver>(nonlinear_opts, linear_opts, mesh.getComm());
+  return std::make_shared<NonlinearDifferentiableBlockSolver>(std::move(solid_solver));
 }
 
 }  // namespace smith

src/smith/differentiable_numerics/differentiable_solver.hpp

@@ -19,6 +19,7 @@ namespace mfem {
 class Solver;
 class Vector;
 class HypreParMatrix;
+class BlockOperator;
 }  // namespace mfem
 
 namespace smith {
@@ -175,6 +176,36 @@ class LinearDifferentiableBlockSolver : public DifferentiableBlockSolver {
   mutable std::unique_ptr<mfem::Solver> mfem_preconditioner;  ///< stored mfem block preconditioner
 };
 
+/// @brief Implementation of the DifferentiableBlockSolver interface for the special case of nonlinear solves with
+/// linear adjoint solves
+class NonlinearDifferentiableBlockSolver : public DifferentiableBlockSolver {
+ public:
+  /// @brief Construct from a linear solver and linear block precondition which may be used by the linear solver
+  NonlinearDifferentiableBlockSolver(std::unique_ptr<EquationSolver> s);
+
+  /// @overload
+  void completeSetup(const std::vector<FieldT>& us) override;
+
+  /// @overload
+  std::vector<FieldPtr> solve(
+      const std::vector<FieldPtr>& u_guesses,
+      std::function<std::vector<mfem::Vector>(const std::vector<FieldPtr>&)> residuals,
+      std::function<std::vector<std::vector<MatrixPtr>>(const std::vector<FieldPtr>&)> jacobians) const override;
+
+  /// @overload
+  std::vector<FieldPtr> solveAdjoint(const std::vector<DualPtr>& u_bars,
+                                     std::vector<std::vector<MatrixPtr>>& jacobian_transposed) const override;
+
+  mutable std::unique_ptr<mfem::BlockOperator>
+      block_jac_;  ///< Need to hold an instance of a block operator to work with the mfem solver interface
+  mutable std::vector<std::vector<MatrixPtr>>
+      matrix_of_jacs_;  ///< Holding vectors of block matrices to that do not going out of scope before the mfem solver
+                        ///< is done with using them in the block_jac_
+
+  mutable std::unique_ptr<EquationSolver>
+      nonlinear_solver_;  ///< the nonlinear equation solver used for the forward pass
+};
+
 /// @brief Create a differentiable linear solver
 /// @param linear_opts linear options struct
 /// @param mesh mesh
@@ -189,4 +220,11 @@ std::shared_ptr<NonlinearDifferentiableSolver> buildDifferentiableNonlinearSolve
                                                                                   LinearSolverOptions linear_opts,
                                                                                   const smith::Mesh& mesh);
 
+/// @brief Create a differentiable nonlinear block solver
+/// @param nonlinear_opts nonlinear options struct
+/// @param linear_opts linear options struct
+/// @param mesh mesh
+std::shared_ptr<NonlinearDifferentiableBlockSolver> buildDifferentiableNonlinearBlockSolver(
+    NonlinearSolverOptions nonlinear_opts, LinearSolverOptions linear_opts, const smith::Mesh& mesh);
+
 }  // namespace smith

src/smith/differentiable_numerics/dirichlet_boundary_conditions.hpp

@@ -72,74 +72,56 @@ class DirichletBoundaryConditions {
 
   /// @brief Specify time and space varying Dirichlet boundary conditions over a domain.
   /// @param domain All dofs in this domain have boundary conditions applied to it.
-  /// @param component component direction to apply boundary condition to if the underlying field is a vector-field.
   /// @param applied_displacement applied_displacement is a functor which takes time, and a
   /// smith::tensor<double,spatial_dim> corresponding to the spatial coordinate.  The functor must return a double.  For
   /// example: [](double t, smith::tensor<double, dim> X) { return 1.0; }
   template <int spatial_dim, typename AppliedDisplacementFunction>
-  void setVectorBCs(const Domain& domain, int component, AppliedDisplacementFunction applied_displacement)
+  void setScalarBCs(const Domain& domain, AppliedDisplacementFunction applied_displacement)
   {
-    const int field_dim = space_.GetVDim();
-    SLIC_ERROR_IF(component >= field_dim,
-                  axom::fmt::format("Trying to set boundary conditions on a field with dim {}, using component {}",
-                                    field_dim, component));
     auto mfem_coefficient_function = [applied_displacement](const mfem::Vector& X_mfem, double t) {
       auto X = make_tensor<spatial_dim>([&X_mfem](int k) { return X_mfem[k]; });
       return applied_displacement(t, X);
     };
 
     auto dof_list = domain.dof_list(&space_);
-    // scalar ldofs -> vector ldofs
-    space_.DofsToVDofs(component, dof_list);
+    space_.DofsToVDofs(static_cast<int>(0), dof_list);
 
     auto component_disp_bdr_coef_ = std::make_shared<mfem::FunctionCoefficient>(mfem_coefficient_function);
-    bcs_.addEssential(dof_list, component_disp_bdr_coef_, space_, component);
-  }
-
-  /// @brief Specify time and space varying Dirichlet boundary conditions over a domain.
-  /// @param domain All dofs in this domain have boundary conditions applied to it.
-  /// @param applied_displacement applied_displacement is a functor which takes time, and a
-  /// smith::tensor<double,spatial_dim> corresponding to the spatial coordinate.  The functor must return a double.  For
-  /// example: [](double t, smith::tensor<double, dim> X) { return 1.0; }
-  template <int spatial_dim, typename AppliedDisplacementFunction>
-  void setScalarBCs(const Domain& domain, AppliedDisplacementFunction applied_displacement)
-  {
-    setScalarBCs<spatial_dim>(domain, 0, applied_displacement);
+    bcs_.addEssential(dof_list, component_disp_bdr_coef_, space_, 0);
   }
 
   /// @brief Constrain the dofs of a scalar field over a domain
   template <int spatial_dim>
   void setFixedScalarBCs(const Domain& domain)
   {
-    setVectorBCs<spatial_dim>(domain, [](auto, auto) { return 0.0; });
+    setScalarBCs<spatial_dim>(domain, [](auto, auto) { return 0.0; });
   }
 
-  /// @brief Constrain the dofs of a scalar field over a domain
-  template <int spatial_dim>
-  void setFixedVectorBCs(const Domain& domain, int component)
+  /// @brief Constrain the vector dofs over a domain corresponding to a subset of the vector components
+  template <int spatial_dim, int field_dim>
+  void setFixedVectorBCs(const Domain& domain, std::vector<int> components)
   {
-    setScalarBCs<spatial_dim>(domain, component, [](auto, auto) { return 0.0; });
+    setVectorBCs<spatial_dim>(domain, components, [](auto, auto) { return smith::tensor<double, field_dim>{}; });
   }
 
-  /// @brief Constrain the vector dofs over a domain corresponding to a subset of the vector components
-  template <int spatial_dim>
-  void setFixedVectorBCs(const Domain& domain, std::vector<int> components)
+  /// @brief Constrain the dofs of a scalar field over a domain
+  template <int spatial_dim, int field_dim>
+  void setFixedVectorBCs(const Domain& domain, int component)
   {
-    setVectorBCs<spatial_dim>(domain, components, [](auto, auto) { return smith::tensor<double, spatial_dim>{}; });
+    std::vector<int> components{component};
+    setVectorBCs<spatial_dim, field_dim>(domain, components);
   }
 
   /// @brief Constrain all the vector dofs over a domain
-  template <int spatial_dim>
+  template <int spatial_dim, int field_dim = spatial_dim>
   void setFixedVectorBCs(const Domain& domain)
   {
-    const int field_dim = space_.GetVDim();
-    SLIC_ERROR_IF(field_dim != spatial_dim,
-                  "Vector boundary conditions current only work if they match the spatial dimension");
+    SLIC_ERROR_IF(field_dim != space_.GetVDim(), "Vector boundary condition field_dim does not match the fields vdim");
     std::vector<int> components(static_cast<size_t>(field_dim));
     for (int component = 0; component < field_dim; ++component) {
       components[static_cast<size_t>(component)] = component;
     }
-    setFixedVectorBCs<spatial_dim>(domain, components);
+    setFixedVectorBCs<spatial_dim, field_dim>(domain, components);
   }
 
   /// @brief Return the smith BoundaryConditionManager

src/smith/differentiable_numerics/field_state.hpp

@@ -212,22 +212,30 @@ inline std::vector<const mfem::ParFiniteElementSpace*> spaces(const std::vector<
 };
 
 /// @brief Get a vector of FieldPtr or DualFieldPtr from a vector of FieldState
-inline std::vector<FiniteElementState*> getFieldPointers(std::vector<FieldState>& states)
+inline std::vector<FiniteElementState*> getFieldPointers(std::vector<FieldState>& states,
+                                                         std::vector<FieldState> params = {})
 {
   std::vector<FiniteElementState*> pointers;
   for (auto& t : states) {
     pointers.push_back(t.get().get());
   }
+  for (auto& p : params) {
+    pointers.push_back(p.get().get());
+  }
   return pointers;
 }
 
 /// @brief Get a vector of ConstFieldPtr or ConstDualFieldPtr from a vector of FieldState
-inline std::vector<const FiniteElementState*> getConstFieldPointers(const std::vector<FieldState>& states)
+inline std::vector<const FiniteElementState*> getConstFieldPointers(const std::vector<FieldState>& states,
+                                                                    const std::vector<FieldState>& params = {})
 {
   std::vector<const FiniteElementState*> pointers;
   for (auto& t : states) {
     pointers.push_back(t.get().get());
   }
+  for (auto& p : params) {
+    pointers.push_back(p.get().get());
+  }
   return pointers;
 }