DEVELOPMENT.md

Development

The following features are under active development:

• Experimental Support for GPUs/TPUs

Experimental Support for GPUs/TPUs

The current development branch dev/jax implements experimental support for GPUs/TPUs.

Although OQuPy is built on top of the backend-agnostic TensorNetwork library, OQuPy uses vanilla NumPy and SciPy throughout its implementation. The dev/jax branch adds support for GPUs/TPUs via the JAX library. A new oqupy.backends.numerical_backend.py module handles the breaking changes in JAX NumPy, while the rest of the modules utilizes numpy and scipy.linalg instances from there without explicitly importing JAX-based libraries.

Enabling Experimental Features

To enable experimental features switch to the dev/jax branch and use

from oqupy.backends import enable_jax_features
enable_jax_features()

Alternatively, the OQUPY_BACKEND environmental variable may be set to jax to initialize the jax backend by default.

Contributing Guidelines

To contribute features compatible with the JAX backend, please adhere to the following set of guidelines:

• avoid wildcard imports of NumPy and SciPy.
• use from oqupy.backends.numerical_backend import np instead of import numpy as np and use the alias default_np in cases vanilla NumPy is explicitly required.
• use from oqupy.backends.numerical_backend import la instead of import scipy.linalg as la, except that for non-symmetric eigen-decomposition, scipy.linalg.eig should be used.
• use one of np.dtype_complex (np.dtype_float) or oqupy.config.NumPyDtypeComplex (oqupy.config.NumPyDtypeFloat) instead of np.complex_ (np.float_).
• convert lists or tuples to arrays when passing them as arguments inside functions.
• use array = np.update(array, indices, values) instead of array[indices] = values.
• use np.get_random_floats(seed, shape) instead of np.random.default_rng(seed).random(shape).
• declare signatures for np.vectorize explicitly.
• avoid directly changing the shape attribute of an array (use .reshape instead)