increase batch size

src/descriptor_identifier/solver/SISSOSolver.cpp

@@ -122,7 +122,7 @@ void SISSOSolver::l0_regularization(const int n_dim)
 
     while (!feature_combinations.is_finished())
     {
-        const size_t MAX_BATCH_SIZE = 128;
+        const size_t MAX_BATCH_SIZE = 4096;
         std::vector<std::vector<int>> feature_indices;
         for (auto counter = 0; counter < MAX_BATCH_SIZE; ++counter)
         {

src/loss_function/LossFunctionPearsonRMSE.hpp

@@ -42,7 +42,7 @@ public:
     using PropertyView = Kokkos::View<double**, Kokkos::LayoutLeft>;
 
 protected:
-    static constexpr int MAX_BATCHES = 128;
+    static constexpr int MAX_BATCHES = 4096;
 
     /// dim 0: material samples
     /// dim 1: features