#!/usr/bin/env python # coding: utf-8 # # Tutorial: Introduction to PINA `Equation` class # # [![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/mathLab/PINA/blob/master/tutorials/tutorial12/tutorial.ipynb) # # # In this tutorial, we will explore how to use the `Equation` class in **PINA**. We will focus on how to leverage this class, along with its inherited subclasses, to enforce residual minimization in **Physics-Informed Neural Networks (PINNs)**. # # By the end of this guide, you'll understand how to integrate physical laws and constraints directly into your model training, ensuring that the solution adheres to the underlying differential equations. # # # ## Example: The Burgers 1D equation # We will start implementing the viscous Burgers 1D problem Class, described as follows: # # $$ # \begin{equation} # \begin{cases} # \frac{\partial u}{\partial t} + u \frac{\partial u}{\partial x} &= \nu \frac{\partial^2 u}{ \partial x^2}, \quad x\in(0,1), \quad t>0\\ # u(x,0) &= -\sin (\pi x), \quad x\in(0,1)\\ # u(x,t) &= 0, \quad x = \pm 1, \quad t>0\\ # \end{cases} # \end{equation} # $$ # # where we set $ \nu = \frac{0.01}{\pi}$. # # In the class that models this problem we will see in action the `Equation` class and one of its inherited classes, the `FixedValue` class. # In[ ]: ## routine needed to run the notebook on Google Colab try: import google.colab IN_COLAB = True except: IN_COLAB = False if IN_COLAB: get_ipython().system('pip install "pina-mathlab[tutorial]"') import torch # useful imports from pina import Condition from pina.problem import SpatialProblem, TimeDependentProblem from pina.equation import Equation, FixedValue from pina.domain import CartesianDomain from pina.operator import grad, fast_grad, laplacian # Let's begin by defining the Burgers equation and its initial condition as Python functions. These functions will take the model's `input` (spatial and temporal coordinates) and `output` (predicted solution) as arguments. The goal is to compute the residuals for the Burgers equation, which we will minimize during training. # In[2]: # define the burger equation def burger_equation(input_, output_): du = fast_grad(output_, input_, components=["u"], d=["x"]) ddu = grad(du, input_, components=["dudx"]) return ( du.extract(["dudt"]) + output_.extract(["u"]) * du.extract(["dudx"]) - (0.01 / torch.pi) * ddu.extract(["ddudxdx"]) ) # define initial condition def initial_condition(input_, output_): u_expected = -torch.sin(torch.pi * input_.extract(["x"])) return output_.extract(["u"]) - u_expected # Above we use the `grad` operator from `pina.operator` to compute the gradient. In PINA each differential operator takes the following inputs: # - `output_`: A tensor on which the operator is applied. # - `input_`: A tensor with respect to which the operator is computed. # - `components`: The names of the output variables for which the operator is evaluated. # - `d`: The names of the variables with respect to which the operator is computed. # # Each differential operator has its **fast** version, which performs no internal checks on input and output tensors. For these methods, the user is always required to specify both ``components`` and ``d`` as lists of strings. # # Let's define now the problem! # # > **👉 Do you want to learn more on Problems? Check the dedicated [tutorial](https://mathlab.github.io/PINA/tutorial16/tutorial.html) to learn how to build a Problem from scratch.** # In[ ]: class Burgers1D(TimeDependentProblem, SpatialProblem): # assign output/ spatial and temporal variables output_variables = ["u"] spatial_domain = CartesianDomain({"x": [-1, 1]}) temporal_domain = CartesianDomain({"t": [0, 1]}) domains = { "bound_cond1": CartesianDomain({"x": -1, "t": [0, 1]}), "bound_cond2": CartesianDomain({"x": 1, "t": [0, 1]}), "time_cond": CartesianDomain({"x": [-1, 1], "t": 0}), "phys_cond": CartesianDomain({"x": [-1, 1], "t": [0, 1]}), } # problem condition statement conditions = { "bound_cond1": Condition( domain="bound_cond1", equation=FixedValue(0.0) ), "bound_cond2": Condition( domain="bound_cond2", equation=FixedValue(0.0) ), "time_cond": Condition( domain="time_cond", equation=Equation(initial_condition) ), "phys_cond": Condition( domain="phys_cond", equation=Equation(burger_equation) ), } # The `Equation` class takes as input a function (in this case it happens twice, with `initial_condition` and `burger_equation`) which computes a residual of an equation, such as a PDE. In a problem class such as the one above, the `Equation` class with such a given input is passed as a parameter in the specified `Condition`. # # The `FixedValue` class takes as input a value of the same dimensions as the output functions. This class can be used to enforce a fixed value for a specific condition, such as Dirichlet boundary conditions, as demonstrated in our example. # # Once the equations are set as above in the problem conditions, the PINN solver will aim to minimize the residuals described in each equation during the training phase. # # ### Available classes of equations: # - `FixedGradient` and `FixedFlux`: These work analogously to the `FixedValue` class, where we can enforce a constant value on the gradient or the divergence of the solution, respectively. # - `Laplace`: This class can be used to enforce that the Laplacian of the solution is zero. # - `SystemEquation`: This class allows you to enforce multiple conditions on the same subdomain by passing a list of residual equations defined in the problem. # # ## Defining a new Equation class # `Equation` classes can also be inherited to define a new class. For example, we can define a new class `Burgers1D` to represent the Burgers equation. During the class call, we can pass the viscosity parameter $\nu$: # # ```python # class Burgers1D(Equation): # def __init__(self, nu): # self.nu = nu # # def equation(self, input_, output_): # ... # ``` # In this case, the `Burgers1D` class will inherit from the `Equation` class and compute the residual of the Burgers equation. The viscosity parameter $\nu$ is passed when instantiating the class and used in the residual calculation. Let's see it in more details: # In[3]: class Burgers1DEquation(Equation): def __init__(self, nu=0.0): """ Burgers1D class. This class can be used to enforce the solution u to solve the viscous Burgers 1D Equation. :param torch.float32 nu: the viscosity coefficient. Default value is set to 0. """ self.nu = nu def equation(input_, output_): return ( grad(output_, input_, d="t") + output_ * grad(output_, input_, d="x") - self.nu * laplacian(output_, input_, d="x") ) super().__init__(equation) # Now we can just pass the above class as input for the last condition, setting $\nu= \frac{0.01}{\pi}$: # In[4]: class Burgers1D(TimeDependentProblem, SpatialProblem): # define initial condition def initial_condition(input_, output_): u_expected = -torch.sin(torch.pi * input_.extract(["x"])) return output_.extract(["u"]) - u_expected # assign output/ spatial and temporal variables output_variables = ["u"] spatial_domain = CartesianDomain({"x": [-1, 1]}) temporal_domain = CartesianDomain({"t": [0, 1]}) domains = { "bound_cond1": CartesianDomain({"x": -1, "t": [0, 1]}), "bound_cond2": CartesianDomain({"x": 1, "t": [0, 1]}), "time_cond": CartesianDomain({"x": [-1, 1], "t": 0}), "phys_cond": CartesianDomain({"x": [-1, 1], "t": [0, 1]}), } # problem condition statement conditions = { "bound_cond1": Condition( domain="bound_cond1", equation=FixedValue(0.0) ), "bound_cond2": Condition( domain="bound_cond2", equation=FixedValue(0.0) ), "time_cond": Condition( domain="time_cond", equation=Equation(initial_condition) ), "phys_cond": Condition( domain="phys_cond", equation=Burgers1DEquation(nu=0.01 / torch.pi) ), } # ## What's Next? # # Congratulations on completing the `Equation` class tutorial of **PINA**! As we've seen, you can build new classes that inherit from `Equation` to store more complex equations, such as the 1D Burgers equation, by simply passing the characteristic coefficients of the problem. # # From here, you can: # # - **Define Additional Complex Equation Classes**: Create your own equation classes, such as `SchrodingerEquation`, `NavierStokesEquation`, etc. # - **Define More `FixedOperator` Classes**: Implement operators like `FixedCurl`, `FixedDivergence`, and others for more advanced simulations. # - **Integrate Custom Equations and Operators**: Combine your custom equations and operators into larger systems for more complex simulations. # - **and many more!**: Explore for example different residual minimization techniques to improve the performance and accuracy of your models. # # For more resources and tutorials, check out the [PINA Documentation](https://mathlab.github.io/PINA/).