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Einstein summation notation for fast, maintainable, interpretable ML code

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Fast, maintainable, interpretable ML code

Quick intro

einexpr brings Einstein summation notation to Python.

Einstein summation notation encourages explicit dimension naming and can dramatically reduce the mental overhead of working with multi-dimensional arrays.

In action

import einexpr as ei
import numpy as np

# Define some vectors
a = ei.array([1,2])
b = ei.array([3,4])
# (So far, pretty normal...)

# Dot product
x = a['i'] * b['i']
assert np.dot(a, b) == x['']  # <-- x[''] collapses (by summing) along dimensions i, turning x['i'] into a scalar

# Outer product
x = a['i'] * b['j']
assert np.all(np.outer(a, b) == x['i j'])

# Define some matrices
X = ei.array([[1, 2], [3, 4]])
Y = ei.array([[5, 6], [7, 8]])

# Flatten
x = X['i j']
assert np.all(np.reshape(X, (-1,)) == x['(i,j)'])

# Matrix-vector multiplication
x = X['i j'] * a['j']
assert np.all(np.matmul(X, a) == x['i'])

einexpr's dimension structure conventions are designed to be intuitive, flexible, and unambiguous.

In the above examples, the string inside the square brackets specifies the dimension structure.

You can also pass dimensions around as first-class objects:

i, j, k = ei.dims(3)

x = X[i, j] * Y[j, k]
assert np.all(np.matmul(X, Y) == x[i, k])

There's no trade-off: feel free to combine strings and objects in any way that you find convenient.

i, j, k = ei.dims('i j k')

Z = X[i, j] * Y[j, k]

# Equivalent ways of flattening along j and k
Z['i (j k)']
Z[i,(j,k)]
Z['i',('j','k')]
jk = (j,k)
Z['i', jk]

# We can check that the dimensions are correct using the `dims` property
assert Z['i (j k)'].dims == ('i', ('j', 'k'))
...

Backends

Generally, einexpr stores the arrays you pass to it as an attribute in their raw format. The are two exceptions: when you pass an array of type NestedSequence[bool | int | float] such as a (potentially nested) list of integers (e.g. [[1,2],[3,4]]), and when you pass another object that neither implements array_namespace()nor belongs to one of the backends supported by Ivy. In either case,einexprwill convert it using theasarray` method of the default backend.

The default backend is NumPy, if it is installed. If not, einexpr will search for array API standard complying libraries (excluding Ivy) that live in the same Python environment as itself. If there is exactly one, it will use that one. If both of these default backend selection methods fall through, an einexpr will throw an error and the user will need to set a default backend like so:

ei.set_default_backend('torch')

To specify a backend explicitly for a given array, use the backend keyword argument. einexpr will then convert the array argument into the backend's array type using its asarray method.

ei.asarray([1,2,3], backend='torch')
ei.asarray(torch.asarray([1,2,3]))

Installation

einexpr makes extensive use of some recent developments in the Python array scene, so it is recommended that you install the development versions of Numpy and Ivy for now.

pip install --upgrade git+https://github.com/numpy/numpy
pip install --upgrade git+https://github.com/unifyai/ivy
pip install einexpr

Integrations

Note: While einexpr is ready for the world, the Python ecosystem is not quite ready for einexpr.

einexpr achieves wide support for array API libraries through two recent standardisation efforts: the Python array API standard and UnifyAI's Ivy.

❤️ Array API standard

einexpr is built with first-class support for Python array API standard-conforming libraries. This means that einexpr will have excellent long-term support for NumPy, PyTorch, TensorsFlow, JAX, and other array libraries. However, since standard is rather new, none of these libraries have finished implementing it yet. Don't worry, though: the devs are probably working on it right now! (e.g. PyTorch).

❤️ Ivy

Ivy is a library that provides a unified interface to a variety of array libraries. It serves a similar purpose to the array API standard, but aims to support a much broader set of functionality and has a different approach to standardisation. It passes calls to Ivy methods into equivalent calls to methods in a variety of backends, including NumPy, PyTorch, TensorFlow, JAX, and MXNet, by converting arguments and return values to and from a commom. Like the array API standard, Ivy is still a work in progress. But, unlike the array API standard, it can be used today.

Consistency

In future, it is likely that all major array libraries will support the array API standard. einexpr prefers to use the array API of its input array, if available. Otherwise, it defaults to Ivy. Since Ivy will also support the array API standard, there will eventually be no functional difference from the users' point of view for array API functions, so einexpr's interface will be consistent across backends. In the meantime, Ivy's discrepencies with the array API standard may cause some inconsistencies in the behavior of einexpr between backends.

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Einstein summation notation for fast, maintainable, interpretable ML code

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