"""
This script demonstrates the implementation of the Softmax function.
It takes as input a vector of K real numbers and normalizes it into a
probability distribution consisting of K probabilities proportional
to the exponentials of the input numbers. After applying softmax,
the elements of the vector always sum up to 1.
Script inspired by its corresponding Wikipedia article:
https://en.wikipedia.org/wiki/Softmax_function
"""
import numpy as np
from numpy.exceptions import AxisError
def softmax(vector: np.ndarray, axis: int | None = -1) -> np.ndarray:
"""
Compute the softmax of ``vector`` along ``axis`` in a numerically-stable way.
Parameters:
vector (np.ndarray | list | tuple): Input data (vector, matrix or
higher-rank tensor). It is converted to a float ``np.ndarray``,
so lists, tuples and integers are accepted too.
axis (int | None, optional): Axis along which softmax is computed so
that the probabilities sum to 1 along that axis. If ``None``, the
softmax is computed over the flattened array (a single
distribution). Default is ``-1`` (the last axis).
Returns:
np.ndarray: An array with the same shape as ``vector`` whose values
along ``axis`` (or over the whole array when ``axis is None``) form a
probability distribution that sums to 1.
Raises:
ValueError: If ``vector`` is empty or cannot be converted to a numeric
float array (for example a string or a dict).
numpy.exceptions.AxisError: If ``axis`` is out of bounds for the input.
Note:
If the input contains ``NaN`` or ``inf`` the result will contain
``NaN`` along the affected axis; softmax is only meaningful for finite
real inputs.
The softmax vector adds up to one. We need to ceil to mitigate precision.
>>> float(np.ceil(np.sum(softmax([1, 2, 3, 4]))))
1.0
Identical logits map to a uniform distribution:
>>> softmax(np.array([5, 5]))
array([0.5, 0.5])
A single element always maps to 1:
>>> softmax([0])
array([1.])
It is numerically stable for large logits (no overflow):
>>> softmax([1000.0, 1001.0, 1002.0])
array([0.09003057, 0.24472847, 0.66524096])
For a 2-D array the ``axis`` selects where probabilities sum to 1:
>>> mat = np.array([[1.0, 2.0, 3.0], [1.0, 2.0, 3.0]])
>>> np.round(softmax(mat, axis=-1), 3)
array([[0.09 , 0.245, 0.665],
[0.09 , 0.245, 0.665]])
>>> np.round(softmax(mat, axis=0), 3)
array([[0.5, 0.5, 0.5],
[0.5, 0.5, 0.5]])
With ``axis=None`` the whole array becomes one distribution that sums to 1:
>>> float(np.round(np.sum(softmax(mat, axis=None)), 6))
1.0
Empty, non-numeric and out-of-bounds inputs raise clear errors:
>>> softmax([])
Traceback (most recent call last):
...
ValueError: softmax input must be non-empty
>>> softmax("not a number")
Traceback (most recent call last):
...
ValueError: softmax input must be numeric, got str
>>> softmax([1, 2, 3], axis=3)
Traceback (most recent call last):
...
numpy.exceptions.AxisError: axis 3 is out of bounds for array of dimension 1
"""
try:
vector = np.asarray(vector, dtype=float)
except (ValueError, TypeError) as exc:
error_message = f"softmax input must be numeric, got {type(vector).__name__}"
raise ValueError(error_message) from exc
if vector.size == 0:
raise ValueError("softmax input must be non-empty")
if axis is not None:
ndim = vector.ndim
if axis >= ndim or axis < -ndim:
error_message = (
f"axis {axis} is out of bounds for array of dimension {ndim}"
)
raise AxisError(error_message)
vector_max = np.max(vector, axis=axis, keepdims=True)
exponent_vector = np.exp(vector - vector_max)
sum_of_exponents = np.sum(exponent_vector, axis=axis, keepdims=True)
softmax_vector = exponent_vector / sum_of_exponents
return softmax_vector
if __name__ == "__main__":
print(softmax((0,)))
print(softmax([1, 2, 3]))
mat = np.array([[1, 2, 3], [4, 5, 6]])
print("Softmax along last axis:\n", softmax(mat))
print("Softmax along axis 0:\n", softmax(mat, axis=0))
print("Softmax over the whole matrix:\n", softmax(mat, axis=None))