我用了这三句简单的话:

x_exp=np.exp(x)
x_sum=np.sum(x_exp, axis = 1, keepdims = True)
s=x_exp / x_sum

下面是使用numpy的广义解，以及与tensorflow和scipy的正确性比较:

数据准备:

import numpy as np

np.random.seed(2019)

batch_size = 1
n_items = 3
n_classes = 2
logits_np = np.random.rand(batch_size,n_items,n_classes).astype(np.float32)
print('logits_np.shape', logits_np.shape)
print('logits_np:')
print(logits_np)

输出:

logits_np.shape (1, 3, 2)
logits_np:
[[[0.9034822  0.3930805 ]
  [0.62397    0.6378774 ]
  [0.88049906 0.299172  ]]]

使用tensorflow的Softmax:

import tensorflow as tf

logits_tf = tf.convert_to_tensor(logits_np, np.float32)
scores_tf = tf.nn.softmax(logits_np, axis=-1)

print('logits_tf.shape', logits_tf.shape)
print('scores_tf.shape', scores_tf.shape)

with tf.Session() as sess:
    scores_np = sess.run(scores_tf)

print('scores_np.shape', scores_np.shape)
print('scores_np:')
print(scores_np)

print('np.sum(scores_np, axis=-1).shape', np.sum(scores_np,axis=-1).shape)
print('np.sum(scores_np, axis=-1):')
print(np.sum(scores_np, axis=-1))

输出:

logits_tf.shape (1, 3, 2)
scores_tf.shape (1, 3, 2)
scores_np.shape (1, 3, 2)
scores_np:
[[[0.62490064 0.37509936]
  [0.4965232  0.5034768 ]
  [0.64137274 0.3586273 ]]]
np.sum(scores_np, axis=-1).shape (1, 3)
np.sum(scores_np, axis=-1):
[[1. 1. 1.]]

使用scipy的Softmax:

from scipy.special import softmax

scores_np = softmax(logits_np, axis=-1)

print('scores_np.shape', scores_np.shape)
print('scores_np:')
print(scores_np)

print('np.sum(scores_np, axis=-1).shape', np.sum(scores_np, axis=-1).shape)
print('np.sum(scores_np, axis=-1):')
print(np.sum(scores_np, axis=-1))

输出:

scores_np.shape (1, 3, 2)
scores_np:
[[[0.62490064 0.37509936]
  [0.4965232  0.5034768 ]
  [0.6413727  0.35862732]]]
np.sum(scores_np, axis=-1).shape (1, 3)
np.sum(scores_np, axis=-1):
[[1. 1. 1.]]

Softmax使用numpy (https://nolanbconaway.github.io/blog/2017/softmax-numpy):

def softmax(X, theta = 1.0, axis = None):
    """
    Compute the softmax of each element along an axis of X.

    Parameters
    ----------
    X: ND-Array. Probably should be floats.
    theta (optional): float parameter, used as a multiplier
        prior to exponentiation. Default = 1.0
    axis (optional): axis to compute values along. Default is the
        first non-singleton axis.

    Returns an array the same size as X. The result will sum to 1
    along the specified axis.
    """

    # make X at least 2d
    y = np.atleast_2d(X)

    # find axis
    if axis is None:
        axis = next(j[0] for j in enumerate(y.shape) if j[1] > 1)

    # multiply y against the theta parameter,
    y = y * float(theta)

    # subtract the max for numerical stability
    y = y - np.expand_dims(np.max(y, axis = axis), axis)

    # exponentiate y
    y = np.exp(y)

    # take the sum along the specified axis
    ax_sum = np.expand_dims(np.sum(y, axis = axis), axis)

    # finally: divide elementwise
    p = y / ax_sum

    # flatten if X was 1D
    if len(X.shape) == 1: p = p.flatten()

    return p


scores_np = softmax(logits_np, axis=-1)

print('scores_np.shape', scores_np.shape)
print('scores_np:')
print(scores_np)

print('np.sum(scores_np, axis=-1).shape', np.sum(scores_np, axis=-1).shape)
print('np.sum(scores_np, axis=-1):')
print(np.sum(scores_np, axis=-1))

输出:

scores_np.shape (1, 3, 2)
scores_np:
[[[0.62490064 0.37509936]
  [0.49652317 0.5034768 ]
  [0.64137274 0.3586273 ]]]
np.sum(scores_np, axis=-1).shape (1, 3)
np.sum(scores_np, axis=-1):
[[1. 1. 1.]]

他们都是正确的，但从数值稳定性的角度来看，你的更合适。

你从

e ^ (x - max(x)) / sum(e^(x - max(x))

利用a^(b - c) = (a^b)/(a^c)我们得到

= e ^ x / (e ^ max(x) * sum(e ^ x / e ^ max(x)))

= e ^ x / sum(e ^ x)

这就是另一个答案说的。你可以用任意变量替换max(x)它会消掉。

我用了这三句简单的话:

x_exp=np.exp(x)
x_sum=np.sum(x_exp, axis = 1, keepdims = True)
s=x_exp / x_sum

我很好奇它们之间的性能差异

import numpy as np

def softmax(x):
    """Compute softmax values for each sets of scores in x."""
    return np.exp(x) / np.sum(np.exp(x), axis=0)

def softmaxv2(x):
    """Compute softmax values for each sets of scores in x."""
    e_x = np.exp(x - np.max(x))
    return e_x / e_x.sum()

def softmaxv3(x):
    """Compute softmax values for each sets of scores in x."""
    e_x = np.exp(x - np.max(x))
    return e_x / np.sum(e_x, axis=0)

def softmaxv4(x):
    """Compute softmax values for each sets of scores in x."""
    return np.exp(x - np.max(x)) / np.sum(np.exp(x - np.max(x)), axis=0)



x=[10,10,18,9,15,3,1,2,1,10,10,10,8,15]

使用

print("----- softmax")
%timeit  a=softmax(x)
print("----- softmaxv2")
%timeit  a=softmaxv2(x)
print("----- softmaxv3")
%timeit  a=softmaxv2(x)
print("----- softmaxv4")
%timeit  a=softmaxv2(x)

增加x内部的值(+100 +200 +500…)我使用原始numpy版本得到的结果始终更好(这里只是一个测试)

----- softmax
The slowest run took 8.07 times longer than the fastest. This could mean that an intermediate result is being cached.
100000 loops, best of 3: 17.8 µs per loop
----- softmaxv2
The slowest run took 4.30 times longer than the fastest. This could mean that an intermediate result is being cached.
10000 loops, best of 3: 23 µs per loop
----- softmaxv3
The slowest run took 4.06 times longer than the fastest. This could mean that an intermediate result is being cached.
10000 loops, best of 3: 23 µs per loop
----- softmaxv4
10000 loops, best of 3: 23 µs per loop

直到……x内的值达到~800，则得到

----- softmax
/usr/local/lib/python3.6/dist-packages/ipykernel_launcher.py:4: RuntimeWarning: overflow encountered in exp
  after removing the cwd from sys.path.
/usr/local/lib/python3.6/dist-packages/ipykernel_launcher.py:4: RuntimeWarning: invalid value encountered in true_divide
  after removing the cwd from sys.path.
The slowest run took 18.41 times longer than the fastest. This could mean that an intermediate result is being cached.
10000 loops, best of 3: 23.6 µs per loop
----- softmaxv2
The slowest run took 4.18 times longer than the fastest. This could mean that an intermediate result is being cached.
10000 loops, best of 3: 22.8 µs per loop
----- softmaxv3
The slowest run took 19.44 times longer than the fastest. This could mean that an intermediate result is being cached.
10000 loops, best of 3: 23.6 µs per loop
----- softmaxv4
The slowest run took 16.82 times longer than the fastest. This could mean that an intermediate result is being cached.
10000 loops, best of 3: 22.7 µs per loop

就像一些人说的，你的版本在“大数字”上更稳定。对于小数字来说，情况可能正好相反。

所以，这实际上是对desertnaut的回答的一个评论，但由于我的声誉，我还不能评论它。正如他所指出的，只有当输入包含单个样本时，你的版本才是正确的。如果您的输入包含多个样本，则是错误的。然而，沙漠探险者的解决方案也是错误的。问题是一旦他得到一个一维的输入然后他又得到一个二维的输入。让我给你们看看这个。

import numpy as np

# your solution:
def your_softmax(x):
    """Compute softmax values for each sets of scores in x."""
    e_x = np.exp(x - np.max(x))
    return e_x / e_x.sum()

# desertnaut solution (copied from his answer): 
def desertnaut_softmax(x):
    """Compute softmax values for each sets of scores in x."""
    e_x = np.exp(x - np.max(x))
    return e_x / e_x.sum(axis=0) # only difference

# my (correct) solution:
def softmax(z):
    assert len(z.shape) == 2
    s = np.max(z, axis=1)
    s = s[:, np.newaxis] # necessary step to do broadcasting
    e_x = np.exp(z - s)
    div = np.sum(e_x, axis=1)
    div = div[:, np.newaxis] # dito
    return e_x / div

让我们以沙漠探险者为例:

x1 = np.array([[1, 2, 3, 6]]) # notice that we put the data into 2 dimensions(!)

输出如下:

your_softmax(x1)
array([[ 0.00626879,  0.01704033,  0.04632042,  0.93037047]])

desertnaut_softmax(x1)
array([[ 1.,  1.,  1.,  1.]])

softmax(x1)
array([[ 0.00626879,  0.01704033,  0.04632042,  0.93037047]])

你可以看到沙漠版本在这种情况下会失败。(如果输入是一维的，就不会像np那样。数组([1,2,3,6])。

现在让我们使用3个样本，因为这就是为什么我们使用二维输入的原因。下面的x2和沙漠例子中的x2不一样。

x2 = np.array([[1, 2, 3, 6],  # sample 1
               [2, 4, 5, 6],  # sample 2
               [1, 2, 3, 6]]) # sample 1 again(!)

该输入由一个有3个样本的批次组成。但样本一和样本三本质上是一样的。我们现在期望3行softmax激活，其中第一行应该与第三行相同，也与x1的激活相同!

your_softmax(x2)
array([[ 0.00183535,  0.00498899,  0.01356148,  0.27238963],
       [ 0.00498899,  0.03686393,  0.10020655,  0.27238963],
       [ 0.00183535,  0.00498899,  0.01356148,  0.27238963]])


desertnaut_softmax(x2)
array([[ 0.21194156,  0.10650698,  0.10650698,  0.33333333],
       [ 0.57611688,  0.78698604,  0.78698604,  0.33333333],
       [ 0.21194156,  0.10650698,  0.10650698,  0.33333333]])

softmax(x2)
array([[ 0.00626879,  0.01704033,  0.04632042,  0.93037047],
       [ 0.01203764,  0.08894682,  0.24178252,  0.65723302],
       [ 0.00626879,  0.01704033,  0.04632042,  0.93037047]])

我希望你能明白，这只是我的解的情况。

softmax(x1) == softmax(x2)[0]
array([[ True,  True,  True,  True]], dtype=bool)

softmax(x1) == softmax(x2)[2]
array([[ True,  True,  True,  True]], dtype=bool)

另外，下面是TensorFlows softmax实现的结果:

import tensorflow as tf
import numpy as np
batch = np.asarray([[1,2,3,6],[2,4,5,6],[1,2,3,6]])
x = tf.placeholder(tf.float32, shape=[None, 4])
y = tf.nn.softmax(x)
init = tf.initialize_all_variables()
sess = tf.Session()
sess.run(y, feed_dict={x: batch})

结果是:

array([[ 0.00626879,  0.01704033,  0.04632042,  0.93037045],
       [ 0.01203764,  0.08894681,  0.24178252,  0.657233  ],
       [ 0.00626879,  0.01704033,  0.04632042,  0.93037045]], dtype=float32)