Pyomo.DoE: Corrected initialization when using only lower diagonal of FIM

pyomo/contrib/doe/doe.py

@@ -309,7 +309,23 @@
                 (len(model.parameter_names), len(model.parameter_names))
             )
 
-            L_vals_sq = np.linalg.cholesky(fim_np)
+            # Need to compute the full FIM before initializing the Cholesky factorization
+            if self.only_compute_fim_lower:
+                fim_np = fim_np + fim_np.T - np.diag(np.diag(fim_np))
+
+            # Check if the FIM is positive definite
+            # If not, add jitter to the diagonal
+            # to ensure positive definiteness
+            min_eig = np.min(np.linalg.eigvals(fim_np))
+            if min_eig < 1e-6:
+                jitter = np.abs(min_eig) + 1e-6
+            else:
+                jitter = 0
+
+            # Add jitter to the diagonal to ensure positive definiteness
+            L_vals_sq = np.linalg.cholesky(
+                fim_np + jitter * np.eye(len(model.parameter_names))
+            )
             for i, c in enumerate(model.parameter_names):
                 for j, d in enumerate(model.parameter_names):
                     model.L[c, d].value = L_vals_sq[i, j]