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Package for building scientific simulators, with dynamic arguments arranged in a directed acyclic graph.

Project description

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caskade

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Build scientific simulators, treating them as a directed acyclic graph. Handles argument passing for complex nested simulators.

Install

pip install caskade

More details on the docs page. if you want to use caskade with jax then run:

pip install caskade[jax]

Alternately, just pip install jax/jaxlib separately as they are the only extra requirements.

Usage

Make a Module object which may have some Params. Define a forward method using the decorator.

from caskade import Module, Param, forward

class MySim(Module):
    def __init__(self, a, b=None):
        super().__init__()
        self.a = a
        self.b = Param("b", b)

    @forward
    def myfun(self, x, b=None):
        return x + self.a + b

We may now create instances of the simulator and pass the dynamic parameters.

import torch

sim = MySim(1.0)

params = [torch.tensor(2.0)]

print(sim.myfun(3.0, params=params))

Which will print 6 by automatically filling b with the value from params.

Why do this?

The above example is not very impressive, the real power comes from the fact that Module objects can be nested, making an arbitrarily complicated analysis graph. Some other features include:

  • Unroll parameters into 1D vector to interface with other packages (emcee, scipy.optimize, dynesty, etc.)
  • Link parameters by value or functional relationship
  • Reparametrize (e.g. between polar and cartesian) without modifying underlying code
  • Save and load sampling chains automatically in HDF5
  • Track metadata alongside parameters
  • And much more! Beginner tutorial and Advanced tutorial

Use different backends

caskade can be run with different backends for torch, numpy, and jax. See the Beginners Guide tutorial to learn more!

Documentation

The caskade interface has lots of flexibility, check out the docs to learn more. For a quick start, jump right to the Jupyter notebook tutorial!

The caustics package can serve as a project template utilizing the many features of caskade.

The caskade package maintains 100% coverage for unit testing, ensuring reliability as the backbone of a research project.

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