RModel_GNN.hxx

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#ifndef TMVA_SOFIE_RMODEL_GNN
#define TMVA_SOFIE_RMODEL_GNN
 
#include <ctime>
 
#include "TMVA/RModel_Base.hxx"
#include "TMVA/RModel.hxx"
#include "TMVA/RFunction.hxx"
 
namespace TMVA {
namespace Experimental {
namespace SOFIE {
 
class RFunction_Update;
class RFunction_Aggregate;
 
struct GNN_Init {
 
   // Explicitly define default constructor so cppyy doesn't attempt
   // aggregate initialization.
   GNN_Init() {}
 
   // update blocks
   std::unique_ptr<RFunction_Update> edges_update_block;
   std::unique_ptr<RFunction_Update> nodes_update_block;
   std::unique_ptr<RFunction_Update> globals_update_block;
 
   // aggregation blocks
   std::unique_ptr<RFunction_Aggregate> edge_node_agg_block;
   std::unique_ptr<RFunction_Aggregate> edge_global_agg_block;
   std::unique_ptr<RFunction_Aggregate> node_global_agg_block;
 
   std::size_t num_nodes;
   std::vector<std::pair<int, int>> edges;
 
   std::size_t num_node_features;
   std::size_t num_edge_features;
   std::size_t num_global_features;
 
   std::string filename;
 
   ~GNN_Init()
   {
      edges_update_block.reset();
      nodes_update_block.reset();
      globals_update_block.reset();
 
      edge_node_agg_block.reset();
      edge_global_agg_block.reset();
      node_global_agg_block.reset();
   }
 
   template <typename T>
   void createUpdateFunction(T &updateFunction)
   {
      switch (updateFunction.GetFunctionTarget()) {
      case FunctionTarget::EDGES: {
         edges_update_block.reset(new T(updateFunction));
         break;
      }
      case FunctionTarget::NODES: {
         nodes_update_block.reset(new T(updateFunction));
         break;
      }
      case FunctionTarget::GLOBALS: {
         globals_update_block.reset(new T(updateFunction));
         break;
      }
      default: {
         throw std::runtime_error("TMVA SOFIE: Invalid Update function supplied for creating GNN function block.");
      }
      }
   }
 
   template <typename T>
   void createAggregateFunction(T &aggFunction, FunctionRelation relation)
   {
      switch (relation) {
      case FunctionRelation::NODES_EDGES: {
         edge_node_agg_block.reset(new T(aggFunction));
         break;
      }
      case FunctionRelation::NODES_GLOBALS: {
         node_global_agg_block.reset(new T(aggFunction));
         break;
      }
      case FunctionRelation::EDGES_GLOBALS: {
         edge_global_agg_block.reset(new T(aggFunction));
         break;
      }
      default: {
         throw std::runtime_error("TMVA SOFIE: Invalid Aggregate function supplied for creating GNN function block.");
      }
      }
   }
};
 
class RModel_GNN final : public RModel_GNNBase {
 
private:
   // update function for edges, nodes & global attributes
   std::unique_ptr<RFunction_Update> edges_update_block;
   std::unique_ptr<RFunction_Update> nodes_update_block;
   std::unique_ptr<RFunction_Update> globals_update_block;
 
   // aggregation function for edges, nodes & global attributes
   std::unique_ptr<RFunction_Aggregate> edge_node_agg_block;
   std::unique_ptr<RFunction_Aggregate> edge_global_agg_block;
   std::unique_ptr<RFunction_Aggregate> node_global_agg_block;
 
   std::size_t num_nodes; // maximum number of nodes
   std::size_t num_edges; // maximum number of edges
 
   std::size_t num_node_features;
   std::size_t num_edge_features;
   std::size_t num_global_features;
 
public:
   /**
       Default constructor. Needed to allow serialization of ROOT objects. See
       https://root.cern/manual/io_custom_classes/#restrictions-on-types-root-io-can-handle
   */
   RModel_GNN() = default;
   RModel_GNN(GNN_Init &graph_input_struct);
 
   // Rule of five: explicitly define move semantics, disallow copy
   RModel_GNN(RModel_GNN &&other);
   RModel_GNN &operator=(RModel_GNN &&other);
   RModel_GNN(const RModel_GNN &other) = delete;
   RModel_GNN &operator=(const RModel_GNN &other) = delete;
   ~RModel_GNN() final = default;
 
   void Generate() final;
};
 
} // namespace SOFIE
} // namespace Experimental
} // namespace TMVA
 
#endif // TMVA_SOFIE_RMODEL_GNN