CurvatureAssembly/curvature_assembly/util.py

import jax.numpy as jnp
import jax


Array = jnp.ndarray
f32 = jnp.float32


def diagonal_mask(X: Array) -> Array:
    """Sets the diagonal of a matrix to zero. A direct copy of jax_md.smap._diagonal_matrix()"""
    if X.shape[0] != X.shape[1]:
        raise ValueError(
            'Diagonal mask can only mask square matrices. Found {}x{}.'.format(
                X.shape[0], X.shape[1]))
    if len(X.shape) > 3:
        raise ValueError(
        ('Diagonal mask can only mask rank-2 or rank-3 tensors. '
         'Found {}.'.format(len(X.shape))))
    N = X.shape[0]
    X = jnp.nan_to_num(X)
    mask = f32(1.0) - jnp.eye(N, dtype=X.dtype)
    if len(X.shape) == 3:
        mask = jnp.reshape(mask, (N, N, 1))
    return mask * X


@jax.custom_vjp
def print_grad(x):
    return x


def _print_grad_fwd(x):
    return x, None


def _print_grad_bwd(_, grad):
    jax.debug.print("grad: {}", grad)
    return (grad,)


print_grad.defvjp(_print_grad_fwd, _print_grad_bwd)