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Dev Update (#582)

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* Fix adaptive refinement (#571)


---------

Co-authored-by: Dario Coscia <93731561+dario-coscia@users.noreply.github.com>

* Remove collector

* Fixes

* Fixes

* rm unnecessary comment

* fix advection (#581)

* Fix tutorial .html link (#580)

* fix problem data collection for v0.1 (#584)

* Message Passing Module (#516)

* add deep tensor network block

* add interaction network block

* add radial field network block

* add schnet block

* add equivariant network block

* fix + tests + doc files

* fix egnn + equivariance/invariance tests

Co-authored-by: Dario Coscia <dariocos99@gmail.com>

---------

Co-authored-by: giovanni <giovanni.canali98@yahoo.it>
Co-authored-by: AleDinve <giuseppealessio.d@student.unisi.it>

* add type checker (#527)

---------

Co-authored-by: Filippo Olivo <filippo@filippoolivo.com>
Co-authored-by: Giovanni Canali <115086358+GiovanniCanali@users.noreply.github.com>
Co-authored-by: giovanni <giovanni.canali98@yahoo.it>
Co-authored-by: AleDinve <giuseppealessio.d@student.unisi.it>
This commit is contained in:
Dario Coscia
2025-06-13 17:34:37 +02:00
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parent 6b355b45de
commit 7bf7d34d0f
40 changed files with 1963 additions and 581 deletions
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@@ -9,39 +9,39 @@ The table below provides an overview of each tutorial. All tutorials are also av
| Description | Tutorial |
|---------------|-----------|
Introductory Tutorial: A Beginner’s Guide to PINA|[[.ipynb](tutorial17/tutorial.ipynb),[.py](tutorial17/tutorial.py),[.html](http://mathlab.github.io/PINA/_rst/tutorials/tutorial17/tutorial.html)]|
How to build a `Problem` in PINA|[[.ipynb](tutorial16/tutorial.ipynb),[.py](tutorial16/tutorial.py),[.html](http://mathlab.github.io/PINA/_rst/tutorials/tutorial16/tutorial.html)]|
Introduction to Solver classes|[[.ipynb](tutorial18/tutorial.ipynb),[.py](tutorial18/tutorial.py),[.html](http://mathlab.github.io/PINA/_rst/tutorials/tutorial18/tutorial.html)]|
Introduction to `Trainer` class|[[.ipynb](tutorial11/tutorial.ipynb),[.py](tutorial11/tutorial.py),[.html](http://mathlab.github.io/PINA/_rst/tutorials/tutorial11/tutorial.html)]|
Data structure for SciML: `Tensor`, `LabelTensor`, `Data` and `Graph` |[[.ipynb](tutorial19/tutorial.ipynb),[.py](tutorial19/tutorial.py),[.html](http://mathlab.github.io/PINA/_rst/tutorials/tutorial19/tutorial.html)]|
Building geometries with `DomainInterface` class|[[.ipynb](tutorial6/tutorial.ipynb),[.py](tutorial6/tutorial.py),[.html](http://mathlab.github.io/PINA/_rst/tutorials/tutorial6/tutorial.html)]|
Introduction to PINA `Equation` class|[[.ipynb](tutorial12/tutorial.ipynb),[.py](tutorial12/tutorial.py),[.html](http://mathlab.github.io/PINA/_rst/tutorials/tutorial12/tutorial.html)]|
Introductory Tutorial: A Beginner’s Guide to PINA|[[.ipynb](tutorial17/tutorial.ipynb),[.py](tutorial17/tutorial.py),[.html](http://mathlab.github.io/PINA/tutorial17/tutorial.html)]|
How to build a `Problem` in PINA|[[.ipynb](tutorial16/tutorial.ipynb),[.py](tutorial16/tutorial.py),[.html](http://mathlab.github.io/PINA/tutorial16/tutorial.html)]|
Introduction to Solver classes|[[.ipynb](tutorial18/tutorial.ipynb),[.py](tutorial18/tutorial.py),[.html](http://mathlab.github.io/PINA/tutorial18/tutorial.html)]|
Introduction to `Trainer` class|[[.ipynb](tutorial11/tutorial.ipynb),[.py](tutorial11/tutorial.py),[.html](http://mathlab.github.io/PINA/tutorial11/tutorial.html)]|
Data structure for SciML: `Tensor`, `LabelTensor`, `Data` and `Graph` |[[.ipynb](tutorial19/tutorial.ipynb),[.py](tutorial19/tutorial.py),[.html](http://mathlab.github.io/PINA/tutorial19/tutorial.html)]|
Building geometries with `DomainInterface` class|[[.ipynb](tutorial6/tutorial.ipynb),[.py](tutorial6/tutorial.py),[.html](http://mathlab.github.io/PINA/tutorial6/tutorial.html)]|
Introduction to PINA `Equation` class|[[.ipynb](tutorial12/tutorial.ipynb),[.py](tutorial12/tutorial.py),[.html](http://mathlab.github.io/PINA/tutorial12/tutorial.html)]|
## Physics Informed Neural Networks
| Description | Tutorial |
|---------------|-----------|
Introductory Tutorial: Physics Informed Neural Networks with PINA |[[.ipynb](tutorial1/tutorial.ipynb),[.py](tutorial1/tutorial.py),[.html](http://mathlab.github.io/PINA/_rst/tutorials/tutorial1/tutorial.html)]|
Enhancing PINNs with Extra Features to solve the Poisson Problem |[[.ipynb](tutorial2/tutorial.ipynb),[.py](tutorial2/tutorial.py),[.html](http://mathlab.github.io/PINA/_rst/tutorials/tutorial2/tutorial.html)]|
Applying Hard Constraints in PINNs to solve the Wave Problem |[[.ipynb](tutorial3/tutorial.ipynb),[.py](tutorial3/tutorial.py),[.html](http://mathlab.github.io/PINA/_rst/tutorials/tutorial3/tutorial.html)]|
Applying Periodic Boundary Conditions in PINNs to solve the Helmotz Problem |[[.ipynb](tutorial9/tutorial.ipynb),[.py](tutorial9/tutorial.py),[.html](http://mathlab.github.io/PINA/_rst/tutorials/tutorial9/tutorial.html)]|
Inverse Problem Solving with Physics-Informed Neural Network |[[.ipynb](tutorial7/tutorial.ipynb),[.py](tutorial7/tutorial.py),[.html](http://mathlab.github.io/PINA/_rst/tutorials/tutorial7/tutorial.html)]|
Learning Multiscale PDEs Using Fourier Feature Networks|[[.ipynb](tutorial13/tutorial.ipynb),[.py](tutorial13/tutorial.py),[.html](http://mathlab.github.io/PINA/_rst/tutorials/tutorial13/tutorial.html)]|
Learning Bifurcating PDE Solutions with Physics-Informed Deep Ensembles|[[.ipynb](tutorial14/tutorial.ipynb),[.py](tutorial14/tutorial.py),[.html](http://mathlab.github.io/PINA/_rst/tutorials/tutorial14/tutorial.html)]|
Introductory Tutorial: Physics Informed Neural Networks with PINA |[[.ipynb](tutorial1/tutorial.ipynb),[.py](tutorial1/tutorial.py),[.html](http://mathlab.github.io/PINA/tutorial1/tutorial.html)]|
Enhancing PINNs with Extra Features to solve the Poisson Problem |[[.ipynb](tutorial2/tutorial.ipynb),[.py](tutorial2/tutorial.py),[.html](http://mathlab.github.io/PINA/tutorial2/tutorial.html)]|
Applying Hard Constraints in PINNs to solve the Wave Problem |[[.ipynb](tutorial3/tutorial.ipynb),[.py](tutorial3/tutorial.py),[.html](http://mathlab.github.io/PINA/tutorial3/tutorial.html)]|
Applying Periodic Boundary Conditions in PINNs to solve the Helmholtz Problem |[[.ipynb](tutorial9/tutorial.ipynb),[.py](tutorial9/tutorial.py),[.html](http://mathlab.github.io/PINA/tutorial9/tutorial.html)]|
Inverse Problem Solving with Physics-Informed Neural Network |[[.ipynb](tutorial7/tutorial.ipynb),[.py](tutorial7/tutorial.py),[.html](http://mathlab.github.io/PINA/tutorial7/tutorial.html)]|
Learning Multiscale PDEs Using Fourier Feature Networks|[[.ipynb](tutorial13/tutorial.ipynb),[.py](tutorial13/tutorial.py),[.html](http://mathlab.github.io/PINA/tutorial13/tutorial.html)]|
Learning Bifurcating PDE Solutions with Physics-Informed Deep Ensembles|[[.ipynb](tutorial14/tutorial.ipynb),[.py](tutorial14/tutorial.py),[.html](http://mathlab.github.io/PINA/tutorial14/tutorial.html)]|
## Neural Operator Learning
| Description | Tutorial |
|---------------|-----------|
Introductory Tutorial: Neural Operator Learning with PINA |[[.ipynb](tutorial21/tutorial.ipynb),[.py](tutorial21/tutorial.py),[.html](http://mathlab.github.io/PINA/_rst/tutorials/tutorial21/tutorial.html)]|
Modeling 2D Darcy Flow with the Fourier Neural Operator |[[.ipynb](tutorial5/tutorial.ipynb),[.py](tutorial5/tutorial.py),[.html](http://mathlab.github.io/PINA/_rst/tutorials/tutorial5/tutorial.html)]|
Solving the Kuramoto–Sivashinsky Equation with Averaging Neural Operator |[[.ipynb](tutorial10/tutorial.ipynb),[.py](tutorial10/tutorial.py),[.html](http://mathlab.github.io/PINA/_rst/tutorials/tutorial10/tutorial.html)]|
Introductory Tutorial: Neural Operator Learning with PINA |[[.ipynb](tutorial21/tutorial.ipynb),[.py](tutorial21/tutorial.py),[.html](http://mathlab.github.io/PINA/tutorial21/tutorial.html)]|
Modeling 2D Darcy Flow with the Fourier Neural Operator |[[.ipynb](tutorial5/tutorial.ipynb),[.py](tutorial5/tutorial.py),[.html](http://mathlab.github.io/PINA/tutorial5/tutorial.html)]|
Solving the Kuramoto–Sivashinsky Equation with Averaging Neural Operator |[[.ipynb](tutorial10/tutorial.ipynb),[.py](tutorial10/tutorial.py),[.html](http://mathlab.github.io/PINA/tutorial10/tutorial.html)]|
## Supervised Learning
| Description | Tutorial |
|---------------|-----------|
Introductory Tutorial: Supervised Learning with PINA |[[.ipynb](tutorial20/tutorial.ipynb),[.py](tutorial20/tutorial.py),[.html](http://mathlab.github.io/PINA/_rst/tutorials/tutorial20/tutorial.html)]|
Chemical Properties Prediction with Graph Neural Networks |[[.ipynb](tutorial15/tutorial.ipynb),[.py](tutorial15/tutorial.py),[.html](http://mathlab.github.io/PINA/_rst/tutorials/tutorial15/tutorial.html)]|
Unstructured Convolutional Autoencoders with Continuous Convolution |[[.ipynb](tutorial4/tutorial.ipynb),[.py](tutorial4/tutorial.py),[.html](http://mathlab.github.io/PINA/_rst/tutorials/tutorial4/tutorial.html)]|
Reduced Order Modeling with POD-RBF and POD-NN Approaches for Fluid Dynamics| [[.ipynb](tutorial8/tutorial.ipynb),[.py](tutorial8/tutorial.py),[.html](http://mathlab.github.io/PINA/_rst/tutorials/tutorial8/tutorial.html)]|
Introductory Tutorial: Supervised Learning with PINA |[[.ipynb](tutorial20/tutorial.ipynb),[.py](tutorial20/tutorial.py),[.html](http://mathlab.github.io/PINA/tutorial20/tutorial.html)]|
Chemical Properties Prediction with Graph Neural Networks |[[.ipynb](tutorial15/tutorial.ipynb),[.py](tutorial15/tutorial.py),[.html](http://mathlab.github.io/PINA/tutorial15/tutorial.html)]|
Unstructured Convolutional Autoencoders with Continuous Convolution |[[.ipynb](tutorial4/tutorial.ipynb),[.py](tutorial4/tutorial.py),[.html](http://mathlab.github.io/PINA/tutorial4/tutorial.html)]|
Reduced Order Modeling with POD-RBF and POD-NN Approaches for Fluid Dynamics| [[.ipynb](tutorial8/tutorial.ipynb),[.py](tutorial8/tutorial.py),[.html](http://mathlab.github.io/PINA/tutorial8/tutorial.html)]|

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@@ -287,7 +287,7 @@
"metadata": {},
"source": [
"<p align=\\\"center\\\">\n",
"<img src=\"../static/logging.png\" alt=\\\"Logging API\\\" width=\\\"400\\\"/>\n",
" <img src=\"http://raw.githubusercontent.com/mathLab/PINA/master/tutorials/static/logging.png\" alt=\\\"Logging API\\\" width=\\\"400\\\"/>\n",
"</p>"
]
},

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@@ -58,7 +58,7 @@
"This approach allows the ensemble to capture different perspectives of the problem, leading to more accurate and reliable predictions.\n",
"\n",
"<p align=\"center\">\n",
" <img src=\"../static/deep_ensemble.png\" alt=\"PINA Workflow\" width=\"600\"/>\n",
" <img src=\"http://raw.githubusercontent.com/mathLab/PINA/master/tutorials/static/deep_ensemble.png\" alt=\"Deep ensemble\" width=\"600\"/>\n",
"</p>\n",
"\n",
"The image above illustrates a Deep Ensemble setup, where multiple models attempt to predict the text from an image. While individual models may make errors (e.g., predicting \"PONY\" instead of \"PINA\"), combining their outputs—such as taking the majority vote—often leads to the correct result. This ensemble effect improves reliability by mitigating the impact of individual model biases.\n",

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@@ -11,9 +11,10 @@
"[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/mathLab/PINA/blob/master/tutorials/tutorial17/tutorial.ipynb)\n",
"\n",
"<p align=\"left\">\n",
" <img src=\"../static/pina_logo.png\" alt=\"PINA Logo\" width=\"90\"/>\n",
" <img src=\"https://raw.githubusercontent.com/mathLab/PINA/master/readme/pina_logo.png\" alt=\"PINA logo\" width=\"90\"/>\n",
"</p>\n",
"\n",
"\n",
"Welcome to **PINA**!\n",
"\n",
"PINA [1] is an open-source Python library designed for **Scientific Machine Learning (SciML)** tasks, particularly involving:\n",
@@ -39,7 +40,7 @@
"## The PINA Workflow \n",
"\n",
"<p align=\"center\">\n",
" <img src=\"../static/pina_wokflow.png\" alt=\"PINA Workflow\" width=\"1000\"/>\n",
" <img src=\"http://raw.githubusercontent.com/mathLab/PINA/master/tutorials/static/pina_wokflow.png\" alt=\"PINA Workflow\" width=\"1000\"/>\n",
"</p>\n",
"\n",
"Solving a differential problem in **PINA** involves four main steps:\n",

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@@ -163,10 +163,9 @@
"At their core, **Neural Operators** transform an input function $a$ into an output function $u$. The general structure of a Neural Operator consists of three key components:\n",
"\n",
"<p align=\"center\">\n",
" <img src=\"../static/neural_operator.png\" alt=\"Neural Operators\" width=\"800\"/>\n",
" <img src=\"http://raw.githubusercontent.com/mathLab/PINA/master/tutorials/static/neural_operator.png\" alt=\"Neural Operators\" width=\"800\"/>\n",
"</p>\n",
"\n",
"\n",
"1. **Encoder**: The encoder maps the input into a specific embedding space.\n",
"\n",
"2. **Processor**: The processor consists of multiple layers performing **function convolutions**, which is the core computational unit in a Neural Operator. \n",

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"cell_type": "markdown",
"metadata": {},
"source": [
"# Tutorial: Applying Periodic Boundary Conditions in PINNs to solve the Helmotz Problem\n",
"# Tutorial: Applying Periodic Boundary Conditions in PINNs to solve the Helmholtz Problem\n",
"\n",
"[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/mathLab/PINA/blob/master/tutorials/tutorial9/tutorial.ipynb)\n",
"\n",