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توضیحات

Constitutive Relation Inference Toolkit

ویژگی	مقدار
سیستم عامل	-
نام فایل	crikit-0.1.5
نام	crikit
نسخه کتابخانه	0.1.5
نگهدارنده	[]
ایمیل نگهدارنده	[]
نویسنده	CRIKit Team
ایمیل نویسنده	-
آدرس صفحه اصلی	https://gitlab.com/crikit/crikit
آدرس اینترنتی	https://pypi.org/project/crikit/
مجوز	-

# CRIKit: The Constitutive Relation Inference Toolkit [**Quick Start** ](#quick-start)|[ **Documentation** ](https://crikit.science)|[ **Installation Guide** ](#installation) ## Overview CRIKit integrates [FEniCS] and [Pyadjoint] with machine learning libraries like [JAX] and [TensorFlow], and provides tools to infer physically-compatible constitutive relations from sparse, noisy observations of a system modeled by partial differential equations. CRIKit bridges the FEniCS world with those of JAX and TensorFlow by storing [covering maps] between abstract `Space` classes that represent spaces like a FEniCS `FunctionSpace` or a space of JAX arrays of a particular shape, or a [direct sum] of multiple `Space`s. ![](https://gitlab.com/crikit/crikit/-/raw/main/images/diagram.png) CRIKit also provides tools to help perform post-processing, such as observation operators, as well as a collection of loss functions. ## Quick Start ### Constructing And Optimizing a CR This guide will show you the basics of constructing and optimizing a simple CR that represents linear elasticity, assuming that you're already familiar with the basics of [FEniCS]. You can compare the mechanics of CRIKit to that of FEniCS directly by comparing this example to [the 2D linear elasticity example] from [Numerical tours of Computational Mechanics using FEniCS]. The primary difference between the model shown here and the linked example in the previous sentence is that here we use a geometrically nonlinear model, as described in the documentation for the [libCEED hyperelasticity example]. ```python from crikit import * import jax from jax import numpy as jnp import numpy as np from functools import partial # set up mesh, FunctionSpace, etc fe_order = 2 dims = 2 Nx, Ny = 50, 5 L = 20. H = 1. mesh = RectangleMesh(Point(0., 0.), Point(L, H), Nx, Ny) V = VectorFunctionSpace(mesh, "CG", fe_order) quad_params = {'quadrature_degree' : fe_order + 1} set_default_covering_params(domain=mesh.ufl_domain(), quad_params=quad_params) u = Function(V) def left_boundary(x, on_boundary): return near(x[0], 0.) bcs = [DirichletBC(V, Constant((0., 0.)), left_boundary)] # these will tell CRIKit what the inputs and ouputs to the CR # are so that we can automatically generate the scalar and form-invariants # Let's suppose you want the Cauchy stress tensor as a function of the # strain sym(grad(u)) input_types = (TensorType.make_symmetric(2, dims, 'strain'),) output_type = TensorType.make_symmetric(2, dims, 'stress') # initial guess of parameters Youngs = 1.0e5 Poisson = 0.3 lmbda = (Youngs * Poisson) / ((1 + Poisson) * (1 - 2 * Poisson)) mu = Youngs / (2 * (1 + Poisson)) # since this is 2-d, we need to use a modified version of lambda # to make our initial guesses physical lmbda = 2 * lmbda * mu / (lmbda + 2 * mu) theta = array([lmbda, mu]) def cr_func(invariants, theta): lmbda, mu = theta return jnp.array([lmbda * jnp.log1p(invariants[0]), 2 * mu]) cr = CR(output_type, input_types, cr_func, params=[theta]) # If you're in a Jupyter notebook, run this at the bottom of a cell instead of # calling `print()` on it to get neatly-rendered HTML output. # This function shows you a description of the scalar and form invariants of `cr` # in the order they are placed in the arrays print(cr.invariant_descriptions()) # set the default covering params for crikit.covering so we can automatically # generate covering maps between spaces of FEniCS Functions and JAX arrays # Let's just pretend that degree 3 is sufficient quadrature for whatever problem # we're solving quad_params = {'quadrature_degree' : 3} set_default_covering_params(domain=mesh.ufl_domain(), quad_params=quad_params) # create_ufl_standins() returns a tuple of objects that can act as standins # for the output of a CR. You can't directly call the CR on the inputs because # the CR expects JAX arrays as an input, not a FEniCS Function. You'll instead have # to assembly the variational form F using assemble_with_cr(), which will generate # a covering map from the space of FEniCS Functions to the space of JAX arrays # using crikit.covering (and likewise from the output JAX array space to a space of # `crikit.fe.Function`s), use it to get appropriate arguments, call the CR, and project the result # back into a Function target_shape = tuple(i for i in cr.target.shape() if i != -1) standin_sigma, = create_ufl_standins((target_shape,)) # create your form as if standin_sigma were (cr(sym(grad(u))) v = TestFunction(V) # external force f = Constant((0,-1e-3), name='force') F = inner(standin_sigma, sym(grad(v))) * dx - inner(f, v) * dx # define a new sub-tape that records the actions of this equation with push_tape(): # a function that we can assemble the variational form into # using the `tensor` kwarg of `crikit.assemble()`, which # is directly passed on to `crikit.fe.backend.assemble()` # (e.g. `fenics.assemble()`) residual = Function(V) # input to the CR is sym(grad(u)) assemble_with_cr(F, cr, sym(grad(u)), standin_sigma, tensor=residual, quad_params=quad_params) ucontrol = Control(u) # a ReducedFunction to represent the residual as a function of `u` res_rf = ReducedFunction(residual, ucontrol) # an object to represent the equation defined above red_eq = ReducedEquation(res_rf, bcs, homogenize_bcs(bcs)) # and an object to solve it. Make sure your .petscrc is set appropriately! # if you want to pass an assembled Jacobian, use 'jmat_type' : 'assembled', # but if you want the solver to instead use the matrix-free Jacobian action, # pass 'jmat_type' : 'action' solver = SNESSolver(red_eq, {'jmat_type' : 'assembled'}) pred_u = solver.solve(ucontrol) # define a loss function and an observer num_slices = 100 seed = 0 # sliced quadratic Wasserstein distance loss = SlicedWassersteinDistance(V, num_slices, jax.random.PRNGKey(seed), p=2) class ObservedSubDomain(SubDomain): def inside(self, x, on_boundary): ... # return appropriate True/False if x is in the observed subdomain or not # observe only on a given SubDomain observer = SubdomainObserver(mesh, ObservedSubDomain()) # get your observations from somewhere as a Function in V obs = ... err = loss(observer(obs), observer(pred_u)) Jhat = ReducedFunctional(err, Control(theta)) #check the derivative h = np.random.randn(*theta.shape) v = array(1.0) # test the adjoint assert taylor_test(Jhat, theta, h, v=v) >= 1.9 # choose an optimization method opt_method = 'L-BFGS-B' optimal_params = minimize(Jhat, method=opt_method) ``` ## Installation First, install [FEniCS]. Then you can install the latest development version of this package by running pip install . or, to install in editable mode (useful for devs), pip install -e . There are four optional sets of dependencies that can be installed by listing any of them (with no spaces) in square brackets. Or if you want to install all of them, you can use the key `all`, so the two lines below are equivalent. pip install -e .[test,visualization,tensorflow,doc] pip install -e .[all] If you would rather install the latest release version of CRIKit, you can instead run pip install crikit Make sure you have install CRIKit into an environment with a working FEniCS installation, or the build might fail. In particular, if you encounter errors building `petsc4py`, ensure that the FEniCS installation in your environment works. ### Setting Up a Conda Environment FEniCS provides a conda package, so installation into a conda environment is simple. ```shell conda create --name fenics2019 python=3.7 --no-default-packages -y -q conda activate fenics2019 conda install -c conda-forge fenics=2019.1.0 -y -q pip install -e .[all] ``` Whenever you want to enter this environment, run `conda activate fenics2019`. ## Documentation Documentation is done with [Sphinx]. Documentation can be built by running `make` in the `docs` folder. By default, that will create HTML documentation in `docs/build/html`, and you can view it by opening up `docs/build/html/index.html` in your favorite browser. Run `make todo=true` to include Todo blocks in the output. Otherwise, they won't show up. You can also run `make help` to see a list of other formats that can be built. For instance, - `make coverage` creates a file showing what classes/functions are missing documentation. - `make doctest` tests the example code in the documentation. ## Examples Example programs are in the `examples` folder. Run with the `--help` argument to see command-line parameters. For example, cd examples/p-stokes python p-stokes.py --help ## Tests You can run the main tests with the command below. python3 -m pytest tests You can run a specific test by running `python3 -m pytest tests -k test_name`, where `test_name` is all or part of the test name. For example, python3 -m pytest tests/crikit/test_assemble_with_cr.py -k test_assemble_with_cr_scalar or python3 -m pytest tests/crikit/test_assemble_with_cr.py -k scalar Some implementation files and documentation files have doctests. Those can be run like so: python -m pytest --doctest-modules --rootdir tests crikit cd docs && make doctest ## Developer style guidelines CRIKit uses the auto-formatter [black] to ensure the code has a consistent style. To automatically run it before each git commit, use the following commands. pip install -e .[dev] pre-commit install ## Support This material is based upon work supported by the National Science Foundation under Grant No. 1835825 and 1835792. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation. [FEniCS]: https://fenicsproject.org/download/ [Sphinx]: https://www.sphinx-doc.org/ [black]: https://github.com/psf/black [JAX]: https://github.com/google/jax [Pyadjoint]: https://github.com/dolfin-adjoint/pyadjoint [TensorFlow]: https://tensorflow.org [covering maps]: https://en.wikipedia.org/wiki/Covering_space [direct sum]: https://en.wikipedia.org/wiki/Direct_sum [the 2D linear elasticity example]: https://comet-fenics.readthedocs.io/en/latest/demo/elasticity/2D_elasticity.py.html [Numerical tours of Computational Mechanics using FEniCS]: https://comet-fenics.readthedocs.io/en/latest/index.html [libCEED hyperelasticity example]: https://libceed.readthedocs.io/en/latest/examples/solids/#hyperelasticity-at-small-strain

نیازمندی

مقدار	نام
>=2019.1.1	dolfin-adjoint
-	numpy
-	autograd
>=3.11.0	petsc4py
-	jax
-	jaxlib
>=3.10	pytest
-	pytest-rerunfailures
-	flake8
-	coverage
-	matplotlib
-	flax
>=2.0	tensorflow
-	sphinx
-	myst-nb
-	sphinxcontrib-bibtex
-	sphinxcontrib-katex
-	pydata-sphinx-theme
-	linkify-it-py
-	black
-	pre-commit
-	build
-	black
-	pre-commit
-	build
-	sphinx
-	myst-nb
-	sphinxcontrib-bibtex
-	sphinxcontrib-katex
-	pydata-sphinx-theme
-	linkify-it-py
-	flax
>=2.0	tensorflow
>=3.10	pytest
-	pytest-rerunfailures
-	flake8
-	coverage
-	matplotlib

زبان مورد نیاز

مقدار	نام
>=3.7	Python

نحوه نصب

نصب پکیج whl crikit-0.1.5:

pip install crikit-0.1.5.whl

نصب پکیج tar.gz crikit-0.1.5:

pip install crikit-0.1.5.tar.gz