Type checker

.gitignore

@@ -145,3 +145,6 @@ cython_debug/
 
 # tmp dir
 **tmp*
+
+# Avoid add of DS_Store files
+**.DS_Store

docs/source/_rst/_code.rst

@@ -68,15 +68,19 @@ Solvers
     SolverInterface <solver/solver_interface.rst>
     SingleSolverInterface <solver/single_solver_interface.rst>
     MultiSolverInterface <solver/multi_solver_interface.rst>
+    SupervisedSolverInterface <solver/supervised_solver/supervised_solver_interface>
+    DeepEnsembleSolverInterface <solver/ensemble_solver/ensemble_solver_interface>
     PINNInterface <solver/physics_informed_solver/pinn_interface.rst>
     PINN <solver/physics_informed_solver/pinn.rst>
     GradientPINN <solver/physics_informed_solver/gradient_pinn.rst>
     CausalPINN <solver/physics_informed_solver/causal_pinn.rst>
     CompetitivePINN <solver/physics_informed_solver/competitive_pinn.rst>
     SelfAdaptivePINN <solver/physics_informed_solver/self_adaptive_pinn.rst>
     RBAPINN <solver/physics_informed_solver/rba_pinn.rst>
-    SupervisedSolver <solver/supervised.rst>
-    ReducedOrderModelSolver <solver/reduced_order_model.rst>
+    DeepEnsemblePINN <solver/ensemble_solver/ensemble_pinn>
+    SupervisedSolver <solver/supervised_solver/supervised.rst>
+    DeepEnsembleSupervisedSolver <solver/ensemble_solver/ensemble_supervised>
+    ReducedOrderModelSolver <solver/supervised_solver/reduced_order_model.rst>
     GAROM <solver/garom.rst>
 
 

docs/source/_rst/solver/ensemble_solver/ensemble_pinn.rst

@@ -0,0 +1,8 @@
+DeepEnsemblePINN
+==================
+.. currentmodule:: pina.solver.ensemble_solver.ensemble_pinn
+
+.. autoclass:: DeepEnsemblePINN
+    :show-inheritance:
+    :members:
+

docs/source/_rst/solver/ensemble_solver/ensemble_solver_interface.rst

@@ -0,0 +1,8 @@
+DeepEnsembleSolverInterface
+=============================
+.. currentmodule:: pina.solver.ensemble_solver.ensemble_solver_interface
+
+.. autoclass:: DeepEnsembleSolverInterface
+    :show-inheritance:
+    :members:
+

docs/source/_rst/solver/ensemble_solver/ensemble_supervised.rst

@@ -0,0 +1,8 @@
+DeepEnsembleSupervisedSolver
+=============================
+.. currentmodule:: pina.solver.ensemble_solver.ensemble_supervised
+
+.. autoclass:: DeepEnsembleSupervisedSolver
+    :show-inheritance:
+    :members:
+

docs/source/_rst/solver/reduced_order_model.rst → docs/source/_rst/solver/supervised_solver/reduced_order_model.rst

@@ -1,6 +1,6 @@
 ReducedOrderModelSolver
 ==========================
-.. currentmodule:: pina.solver.reduced_order_model
+.. currentmodule:: pina.solver.supervised_solver.reduced_order_model
 
 .. autoclass:: ReducedOrderModelSolver
    :members:

docs/source/_rst/solver/supervised.rst → docs/source/_rst/solver/supervised_solver/supervised.rst

@@ -1,6 +1,6 @@
 SupervisedSolver
 ===================
-.. currentmodule:: pina.solver.supervised
+.. currentmodule:: pina.solver.supervised_solver.supervised
 
 .. autoclass:: SupervisedSolver
    :members:

docs/source/_rst/solver/supervised_solver/supervised_solver_interface.rst

@@ -0,0 +1,8 @@
+SupervisedSolverInterface
+==========================
+.. currentmodule:: pina.solver.supervised_solver.supervised_solver_interface
+
+.. autoclass:: SupervisedSolverInterface
+    :show-inheritance:
+    :members:
+

pina/graph.py

@@ -3,6 +3,7 @@
 import torch
 from torch_geometric.data import Data, Batch
 from torch_geometric.utils import to_undirected
+from torch_geometric.utils.loop import remove_self_loops
 from .label_tensor import LabelTensor
 from .utils import check_consistency, is_function
 
@@ -209,6 +210,7 @@ def __new__(
         x=None,
         edge_attr=False,
         custom_edge_func=None,
+        loop=True,
         **kwargs,
     ):
         """
@@ -224,18 +226,19 @@ def __new__(
         :param x: Optional tensor of node features of shape ``(N, F)``, where
             ``F`` is the number of features per node.
         :type x: torch.Tensor | LabelTensor, optional
-        :param edge_attr: Optional tensor of edge attributes of shape ``(E, F)``
-            , where ``F`` is the number of features per edge.
-        :type edge_attr: torch.Tensor, optional
+        :param bool edge_attr: Whether to compute the edge attributes.
         :param custom_edge_func: A custom function to compute edge attributes.
             If provided, overrides ``edge_attr``.
         :type custom_edge_func: Callable, optional
+        :param bool loop: Whether to include self-loops.
         :param kwargs: Additional keyword arguments passed to the
             :class:`~pina.graph.Graph` class constructor.
         :return: A :class:`~pina.graph.Graph` instance constructed using the
             provided information.
         :rtype: Graph
         """
+        if not loop:
+            edge_index = remove_self_loops(edge_index)[0]
         edge_attr = cls._create_edge_attr(
             pos, edge_index, edge_attr, custom_edge_func or cls._build_edge_attr
         )
@@ -374,11 +377,8 @@ def compute_knn_graph(points, neighbours):
             representing the edge indices of the graph.
         :rtype: torch.Tensor
         """
-
         dist = torch.cdist(points, points, p=2)
-        knn_indices = torch.topk(dist, k=neighbours + 1, largest=False).indices[
-            :, 1:
-        ]
+        knn_indices = torch.topk(dist, k=neighbours, largest=False).indices
         row = torch.arange(points.size(0)).repeat_interleave(neighbours)
         col = knn_indices.flatten()
         return torch.stack([row, col], dim=0).as_subclass(torch.Tensor)

pina/label_tensor.py

@@ -58,7 +58,7 @@ def __init__(self, x, labels):
             >>> from pina import LabelTensor
             >>> tensor = LabelTensor(
             >>>     torch.rand((2000, 3)),
-            ...     {1: {"name": "space", "dof": ['a', 'b', 'c'])
+            ...     {1: {"name": "space", "dof": ['a', 'b', 'c']}})
             >>> tensor = LabelTensor(
             >>>     torch.rand((2000, 3)),
             ...     ["a", "b", "c"])