#!/usr/bin/env python # coding: utf-8 # # Tutorial 1: Physics Informed Neural Networks on PINA # In this tutorial, we will demonstrate a typical use case of PINA on a toy problem. Specifically, the tutorial aims to introduce the following topics: # # * Defining a PINA Problem, # * Building a `pinn` object, # * Sampling points in a domain # # These are the three main steps needed **before** training a Physics Informed Neural Network (PINN). We will show each step in detail, and at the end, we will solve the problem. # ## PINA Problem # ### Initialize the `Problem` class # Problem definition in the PINA framework is done by building a python `class`, which inherits from one or more problem classes (`SpatialProblem`, `TimeDependentProblem`, `ParametricProblem`) depending on the nature of the problem. Below is an example: # #### Simple Ordinary Differential Equation # Consider the following: # # $$ # \begin{equation} # \begin{cases} # \frac{d}{dx}u(x) &= u(x) \quad x\in(0,1)\\ # u(x=0) &= 1 \\ # \end{cases} # \end{equation} # $$ # # with the analytical solution $u(x) = e^x$. In this case, our ODE depends only on the spatial variable $x\in(0,1)$ , meaning that our `Problem` class is going to be inherited from the `SpatialProblem` class: # # ```python # from pina.problem import SpatialProblem # from pina import CartesianProblem # # class SimpleODE(SpatialProblem): # # output_variables = ['u'] # spatial_domain = CartesianProblem({'x': [0, 1]}) # # # other stuff ... # ``` # # Notice that we define `output_variables` as a list of symbols, indicating the output variables of our equation (in this case only $u$). The `spatial_domain` variable indicates where the sample points are going to be sampled in the domain, in this case $x\in[0,1]$. # What about if our equation is also time dependent? In this case, our `class` will inherit from both `SpatialProblem` and `TimeDependentProblem`: # # In[1]: from pina.problem import SpatialProblem, TimeDependentProblem from pina import CartesianDomain class TimeSpaceODE(SpatialProblem, TimeDependentProblem): output_variables = ['u'] spatial_domain = CartesianDomain({'x': [0, 1]}) temporal_domain = CartesianDomain({'t': [0, 1]}) # other stuff ... # where we have included the `temporal_domain` variable, indicating the time domain wanted for the solution. # # In summary, using PINA, we can initialize a problem with a class which inherits from three base classes: `SpatialProblem`, `TimeDependentProblem`, `ParametricProblem`, depending on the type of problem we are considering. For reference: # * `SpatialProblem` $\rightarrow$ a differential equation with spatial variable(s) # * `TimeDependentProblem` $\rightarrow$ a time-dependent differential equation # * `ParametricProblem` $\rightarrow$ a parametrized differential equation # ### Write the `Problem` class # # Once the `Problem` class is initialized, we need to represent the differential equation in PINA. In order to do this, we need to load the PINA operators from `pina.operators` module. Again, we'll consider Equation (1) and represent it in PINA: # In[2]: from pina.problem import SpatialProblem from pina.operators import grad from pina import Condition, CartesianDomain from pina.equation.equation import Equation import torch class SimpleODE(SpatialProblem): output_variables = ['u'] spatial_domain = CartesianDomain({'x': [0, 1]}) # defining the ode equation def ode_equation(input_, output_): # computing the derivative u_x = grad(output_, input_, components=['u'], d=['x']) # extracting the u input variable u = output_.extract(['u']) # calculate the residual and return it return u_x - u # defining the initial condition def initial_condition(input_, output_): # setting the initial value value = 1.0 # extracting the u input variable u = output_.extract(['u']) # calculate the residual and return it return u - value # conditions to hold conditions = { 'x0': Condition(location=CartesianDomain({'x': 0.}), equation=Equation(initial_condition)), 'D': Condition(location=CartesianDomain({'x': [0, 1]}), equation=Equation(ode_equation)), } # sampled points (see below) input_pts = None # defining the true solution def truth_solution(self, pts): return torch.exp(pts.extract(['x'])) # After we define the `Problem` class, we need to write different class methods, where each method is a function returning a residual. These functions are the ones minimized during PINN optimization, given the initial conditions. For example, in the domain $[0,1]$, the ODE equation (`ode_equation`) must be satisfied. We represent this by returning the difference between subtracting the variable `u` from its gradient (the residual), which we hope to minimize to 0. This is done for all conditions (`ode_equation`, `initial_condition`). # # Once we have defined the function, we need to tell the neural network where these methods are to be applied. To do so, we use the `Condition` class. In the `Condition` class, we pass the location points and the function we want minimized on those points (other possibilities are allowed, see the documentation for reference) as parameters. # # Finally, it's possible to define a `truth_solution` function, which can be useful if we want to plot the results and see how the real solution compares to the expected (true) solution. Notice that the `truth_solution` function is a method of the `PINN` class, but is not mandatory for problem definition. # # ## Build the `PINN` object # The basic requirements for building a `PINN` model are a `Problem` and a model. We have just covered the `Problem` definition. For the model parameter, one can use either the default models provided in PINA or a custom model. We will not go into the details of model definition (see Tutorial2 and Tutorial3 for more details on model definition). # In[3]: from pina.model import FeedForward from pina import PINN # initialize the problem problem = SimpleODE() # build the model model = FeedForward( layers=[10, 10], func=torch.nn.Tanh, output_dimensions=len(problem.output_variables), input_dimensions=len(problem.input_variables) ) # create the PINN object pinn = PINN(problem, model) # Creating the `PINN` object is fairly simple. Different optional parameters include: optimizer, batch size, ... (see [documentation](https://mathlab.github.io/PINA/) for reference). # ## Sample points in the domain # Once the `PINN` object is created, we need to generate the points for starting the optimization. To do so, we use the `sample` method of the `CartesianDomain` class. Below are three examples of sampling methods on the $[0,1]$ domain: # In[4]: # sampling 20 points in [0, 1] through discretization pinn.problem.discretise_domain(n=20, mode='grid', variables=['x']) # sampling 20 points in (0, 1) through latin hypercube samping pinn.problem.discretise_domain(n=20, mode='latin', variables=['x']) # sampling 20 points in (0, 1) randomly pinn.problem.discretise_domain(n=20, mode='random', variables=['x']) # ### Very simple training and plotting # # Once we have defined the PINA model, created a network, and sampled points in the domain, we have everything necessary for training a PINN. To do so, we make use of the `Trainer` class. # In[5]: from pina import Trainer # initialize trainer trainer = Trainer(pinn) # train the model trainer.train()