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Painless variables in PyTorch and TensorFlow

Project description

Varz

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Painless optimisation of constrained variables in PyTorch, TensorFlow, and AutoGrad

Installation

Before installing the package, please ensure that gcc and gfortran are available. On OS X, these are both installed with brew install gcc; users of Anaconda may want to instead consider conda install gcc. Then simply

pip install varz

Manual

from varz import Vars

To begin with, create a variable container of the right data type. For use with NumPy and AutoGrad, use a np.* data type; for use with PyTorch, use a torch.* data type; and for use with TensorFlow, use a tf.* data type. In this example we'll use NumPy and AutoGrad.

>>> vs = Vars(np.float64)

Now a variable can be created by requesting it, giving it an initial value and a name.

>>> vs.get(np.random.randn(2, 2), name='x')
array([[ 1.04404354, -1.98478763],
       [ 1.14176728, -3.2915562 ]])

If the same variable is created again, because a variable with the name x already exists, the existing variable will be returned.

>>> vs.get(name='x')
array([[ 1.04404354, -1.98478763],
       [ 1.14176728, -3.2915562 ]])

Alternatively, indexing syntax may be used to get the existing variable x.

>>> vs['x']
array([[ 1.04404354, -1.98478763],
       [ 1.14176728, -3.2915562 ]])

The value of x may be changed by assigning it a different value.

>>> vs.assign('x', np.random.randn(2, 2))
array([[ 1.43477728,  0.51006941],
       [-0.74686452, -1.05285767]])

By default, assignment is non-differentiable and overwrites data. For differentiable assignment, set the keyword argument differentiable=True.

>>> vs.assign('x', np.random.randn(2, 2), differentiable=True)
array([[ 0.12500578, -0.21510423],
       [-0.61336039,  1.23074066]])

Note: In TensorFlow, non-differentiable assignment operations return tensors that must be run to perform the assignments.

Naming

Variables may be organised by naming them hierarchically using /s. For example, group1/bar, group1/foo, and group2/bar. This is helpful for extracting collections of variables, where wildcards may be used to match names. For example, */bar would match group1/bar and group2/bar, and group1/* would match group1/bar and group1/foo.

Constrained Variables

A variable that is constrained to be positive can be created using Vars.positive or Vars.pos.

>>> vs.pos(name='positive_variable')
0.016925610008314832

A variable that is constrained to be bounded can be created using Vars.bounded or Vars.bnd.

>>> vs.bnd(name='bounded_variable', lower=1, upper=2)
1.646772663807718

These constrained variables are created by transforming some latent unconstrained representation to the desired constrained space. The latent variables can be obtained using Vars.get_vars.

>>> vs.get_vars('positive_variable', 'bounded_variable')
[array(-4.07892742), array(-0.604883)]

To illustrate the use of wildcards, the following is equivalent:

>>> vs.get_vars('*_variable')
[array(-4.07892742), array(-0.604883)]

Getting and Setting Variables as a Vector

It may be desirable to get the latent representations of a collection of variables as a single vector, e.g. when feeding them to an optimiser. This can be achieved with Vars.get_vector.

>>> vs.get_vector('x', '*_variable')
array([ 0.12500578, -0.21510423, -0.61336039,  1.23074066, -4.07892742,
       -0.604883  ])

Similarly, to update the latent representation of a collection of variables, Vars.set_vector can be used.

>>> vs.set_vector(np.ones(6), 'x', '*_variable')
[array([[1., 1.],
        [1., 1.]]), array(1.), array(1.)]

>>> vs.get_vector('x', '*_variable')
array([1., 1., 1., 1., 1., 1.])

AutoGrad

The function varz.numpy.minimise_l_bfgs_b can be used to perform minimisation using the L-BFGS-B algorithm.

Example of optimising variables:

import autograd.numpy as np
from varz.autograd import Vars, minimise_l_bfgs_b

target = 5.


def objective(x):  # `x` must be positive!
    return (x ** .5 - target) ** 2  
>>> vs = Vars(np.float64)

>>> vs.pos(10., name='x')
10.000000000000002

>>> minimise_l_bfgs_b(lambda v: objective(v['x']), vs, names=['x'])
3.17785950743424e-19  # Final objective function value.

>>> vs['x'] - target ** 2
-5.637250666268301e-09

TensorFlow

All the variables held by a container can be initialised at once with Vars.init.

Example of optimising variables:

import tensorflow as tf
from tensorflow.contrib.opt import ScipyOptimizerInterface as SOI
from varz.tensorflow import Vars

target = tf.constant(5., dtype=tf.float64)

vs = Vars(tf.float64)
x = vs.pos(10., name='x')
objective = (x ** .5 - target) ** 2  # `x` must be positive!
>>> opt = SOI(objective, var_list=vs.get_vars('x'))

>>> sess = tf.Session()

>>> vs.init(sess)

>>> opt.minimize(sess)

>>> sess.run(vs['x'] - target ** 2)
-5.637250666268301e-09

PyTorch

All the variables held by a container can be detached from the current computation graph with Vars.detach_vars. To make a copy of the container with detached versions of the variables, use Vars.detach instead. Whether variables require gradients can be configured with Vars.requires_grad. By default, no variable requires a gradient.

The function varz.torch.minimise_l_bfgs_b can be used to perform minimisation using the L-BFGS-B algorithm.

Example of optimising variables:

import torch
from varz.torch import Vars, minimise_l_bfgs_b


target = torch.tensor(5., dtype=torch.float64)


def objective(x):  # `x` must be positive!
    return (x ** .5 - target) ** 2
>>> vs = Vars(torch.float64)

>>> vs.pos(10., name='x')
tensor(10.0000, dtype=torch.float64)

>>> minimise_l_bfgs_b(lambda v: objective(v['x']), vs, names=['x'])
array(1.36449515e-13)  # Final objective function value.

>>> vs['x'] - target ** 2
tensor(1.6378e-07, dtype=torch.float64)

Get Variables from a Source

The keyword argument source can set to a tensor from which the latent variables will be obtained.

Example:

>>> vs = Vars(np.float32, source=np.array([1, 2, 3, 4, 5]))

>>> vs.get()
array(1., dtype=float32)

>>> vs.get(shape=(3,))
array([2., 3., 4.], dtype=float32)

>>> vs.pos()
148.41316

>>> np.exp(5).astype(np.float32)
148.41316

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