Message Passing Module

[dario-coscia]

Fixes #515

Tentative RoadMap

• MessagePassingInterface: handles the shared methods and attributes, can be overridden from MessagePassing from PyG. Possible additional features it might contain are if the graph is equivariant/invariant, the associated symmetry group, and others ...
• InteractionNetworkBlock: implements the interaction network (See sec.2 of https://arxiv.org/pdf/1704.01212)
• DeepTensorNetworkBlock: implements the Deep Tensor Neural Networks block (See sec.2 of https://arxiv.org/pdf/1704.01212)
• EGNNBlock: implements the E(n) Equivariant Graph Neural Network block(See sec.3 of https://arxiv.org/pdf/2102.09844)
• RadialFieldBlock: implements the radial field network block (See Tab1. of https://arxiv.org/pdf/2102.09844)
• TensorFieldBlock: implements the tensor field block (See Tab1. of https://arxiv.org/pdf/2102.09844)
• SchnetBlock: implements the schnet block (See Tab1. of https://arxiv.org/pdf/2102.09844)

[github-actions]

Code Coverage Summary

Filename                                                Stmts    Miss  Cover    Missing
----------------------------------------------------  -------  ------  -------  -----------------------------------------------------------------------------------------------------------------
__init__.py                                                 7       0  100.00%
collector.py                                               40       1  97.50%   46
graph.py                                                  111      11  90.09%   98-99, 111, 123, 125, 141, 143, 165, 168, 181, 268
label_tensor.py                                           248      29  88.31%   81, 121, 148, 165, 177, 182, 188-193, 273, 280, 332, 348, 444-447, 490, 548, 632, 652-654, 667-676, 691, 713, 716
operator.py                                                86      16  81.40%   63, 65, 84, 95, 107, 137, 146, 149, 220, 263-276
operators.py                                                6       6  0.00%    3-12
plotter.py                                                  1       1  0.00%    3
trainer.py                                                 75       6  92.00%   195-204, 293, 314, 318, 322
utils.py                                                   56       8  85.71%   109, 146, 149, 152, 188-191
adaptive_function/__init__.py                               3       0  100.00%
adaptive_function/adaptive_function.py                     55       0  100.00%
adaptive_function/adaptive_function_interface.py           51       6  88.24%   98, 141, 148-151
adaptive_functions/__init__.py                              6       6  0.00%    3-12
callback/__init__.py                                        5       0  100.00%
callback/adaptive_refinement_callback.py                    8       1  87.50%   37
callback/linear_weight_update_callback.py                  28       1  96.43%   63
callback/optimizer_callback.py                             22       1  95.45%   34
callback/processing_callback.py                            49       5  89.80%   42-43, 73, 168, 171
callbacks/__init__.py                                       6       6  0.00%    3-12
condition/__init__.py                                       7       0  100.00%
condition/condition.py                                     35       8  77.14%   23, 127-128, 131-132, 135-136, 151
condition/condition_interface.py                           32       3  90.62%   31, 76, 100
condition/data_condition.py                                26       1  96.15%   56
condition/domain_equation_condition.py                     19       0  100.00%
condition/input_equation_condition.py                      44       1  97.73%   129
condition/input_target_condition.py                        44       1  97.73%   125
data/__init__.py                                            3       0  100.00%
data/data_module.py                                       207      31  85.02%   42-53, 133, 173, 194, 234, 318-322, 328-332, 404, 426, 471, 553, 644, 646, 657-664
data/dataset.py                                            74       6  91.89%   42, 123-126, 285
domain/__init__.py                                         10       0  100.00%
domain/cartesian.py                                       112      10  91.07%   37, 47, 75-76, 92, 97, 103, 246, 256, 264
domain/difference_domain.py                                25       2  92.00%   54, 87
domain/domain_interface.py                                 20       5  75.00%   37-41
domain/ellipsoid.py                                       104      24  76.92%   52, 56, 127, 250-257, 269-282, 286-287, 290, 295
domain/exclusion_domain.py                                 28       1  96.43%   86
domain/intersection_domain.py                              28       1  96.43%   85
domain/operation_interface.py                              26       1  96.15%   88
domain/simplex.py                                          72      14  80.56%   62, 207-225, 246-247, 251, 256
domain/union_domain.py                                     25       2  92.00%   43, 114
equation/__init__.py                                        4       0  100.00%
equation/equation.py                                       11       0  100.00%
equation/equation_factory.py                               24      10  58.33%   37, 62-75, 97-110, 132-145
equation/equation_interface.py                              4       0  100.00%
equation/system_equation.py                                22       0  100.00%
geometry/__init__.py                                        7       7  0.00%    3-15
loss/__init__.py                                            7       0  100.00%
loss/loss_interface.py                                     17       2  88.24%   45, 51
loss/lp_loss.py                                            15       0  100.00%
loss/ntk_weighting.py                                      26       0  100.00%
loss/power_loss.py                                         15       0  100.00%
loss/scalar_weighting.py                                   16       0  100.00%
loss/weighting_interface.py                                 6       0  100.00%
model/__init__.py                                          10       0  100.00%
model/average_neural_operator.py                           31       2  93.55%   73, 82
model/deeponet.py                                          93      13  86.02%   187-190, 209, 240, 283, 293, 303, 313, 323, 333, 488, 498
model/feed_forward.py                                      89      11  87.64%   58, 195, 200, 278-292
model/fourier_neural_operator.py                           78      10  87.18%   96-100, 110, 155-159, 218, 220, 242, 342
model/graph_neural_operator.py                             40       2  95.00%   58, 60
model/kernel_neural_operator.py                            34       6  82.35%   83-84, 103-104, 123-124
model/low_rank_neural_operator.py                          27       2  92.59%   89, 98
model/multi_feed_forward.py                                12       5  58.33%   25-31
model/spline.py                                            89      37  58.43%   30, 41-66, 69, 128-132, 135, 159-177, 180
model/block/__init__.py                                    12       0  100.00%
model/block/average_neural_operator_block.py               12       0  100.00%
model/block/convolution.py                                 64      13  79.69%   77, 81, 85, 91, 97, 111, 114, 151, 161, 171, 181, 191, 201
model/block/convolution_2d.py                             146      27  81.51%   155, 162, 282, 314, 379-433, 456
model/block/embedding.py                                   48       7  85.42%   93, 143-146, 155, 168
model/block/fourier_block.py                               31       0  100.00%
model/block/gno_block.py                                   22       4  81.82%   73-77, 87
model/block/integral.py                                    18       4  77.78%   22-25, 71
model/block/low_rank_block.py                              24       0  100.00%
model/block/orthogonal.py                                  37       0  100.00%
model/block/pod_block.py                                   65       9  86.15%   54-57, 69, 99, 134-139, 170, 195
model/block/rbf_block.py                                  179      25  86.03%   18, 42, 53, 64, 75, 86, 97, 223, 280, 282, 298, 301, 329, 335, 363, 367, 511-524
model/block/residual.py                                    46       0  100.00%
model/block/spectral.py                                    83       4  95.18%   132, 140, 262, 270
model/block/stride.py                                      28       7  75.00%   55, 58, 61, 67, 72-74
model/block/utils_convolution.py                           22       3  86.36%   58-60
model/layers/__init__.py                                    6       6  0.00%    3-12
optim/__init__.py                                           5       0  100.00%
optim/optimizer_interface.py                                7       0  100.00%
optim/scheduler_interface.py                                7       0  100.00%
optim/torch_optimizer.py                                   14       0  100.00%
optim/torch_scheduler.py                                   19       2  89.47%   5-6
problem/__init__.py                                         6       0  100.00%
problem/abstract_problem.py                               104      14  86.54%   52, 61, 101-106, 135, 147, 165, 239, 243, 272
problem/inverse_problem.py                                 22       0  100.00%
problem/parametric_problem.py                               8       1  87.50%   29
problem/spatial_problem.py                                  8       0  100.00%
problem/time_dependent_problem.py                           8       0  100.00%
problem/zoo/__init__.py                                     8       0  100.00%
problem/zoo/advection.py                                   33       7  78.79%   36-38, 52, 108-110
problem/zoo/allen_cahn.py                                  20       6  70.00%   20-22, 34-36
problem/zoo/diffusion_reaction.py                          29       5  82.76%   94-104
problem/zoo/helmholtz.py                                   30       6  80.00%   36-42, 103-107
problem/zoo/inverse_poisson_2d_square.py                   31       0  100.00%
problem/zoo/poisson_2d_square.py                           19       3  84.21%   65-70
problem/zoo/supervised_problem.py                          11       0  100.00%
solver/__init__.py                                          6       0  100.00%
solver/garom.py                                           110       4  96.36%   129-130, 368, 378
solver/reduced_order_model.py                              22       1  95.45%   137
solver/solver.py                                          173       8  95.38%   181, 261, 265, 281, 284-285, 447, 478
solver/supervised.py                                       25       0  100.00%
solver/physics_informed_solver/__init__.py                  8       0  100.00%
solver/physics_informed_solver/causal_pinn.py              47       3  93.62%   157, 166-167
solver/physics_informed_solver/competitive_pinn.py         58       0  100.00%
solver/physics_informed_solver/gradient_pinn.py            17       0  100.00%
solver/physics_informed_solver/pinn.py                     17       0  100.00%
solver/physics_informed_solver/pinn_interface.py           72       0  100.00%
solver/physics_informed_solver/rba_pinn.py                 35       3  91.43%   155-158
solver/physics_informed_solver/self_adaptive_pinn.py       90       3  96.67%   319-322
solvers/__init__.py                                         6       6  0.00%    3-12
solvers/pinns/__init__.py                                   6       6  0.00%    3-12
TOTAL                                                    4405     509  88.44%

Results for commit: b17fd16

Minimum allowed coverage is 80.123%

♻️ This comment has been updated with latest results