解决此问题的一种方法是使用finite differences 以数值方式计算导数。
在这种情况下,我们可以定义一个小常数来帮助我们计算数值导数。此函数采用单参数函数并计算其对输入 x 的导数:
ε = 1e-12
def derivative(f, x):
return (f(x + ε) - f(x)) / ε
为了使我们的工作更容易,让我们定义一个计算熵的最内层运算的函数:
def inner(x):
return x * np.log2(x)
回想一下,和的导数是导数的和。因此,真正的导数计算发生在我们刚刚定义的inner函数中。
所以,熵的数值导数是:
def numerical_dentropy(X):
_, frequencies = np.unique(X, return_counts=True)
probabilities = frequencies / X.shape[0]
return -np.sum([derivative(inner, p) for p in probabilities])
我们可以做得更好吗?当然,我们可以!这里的关键见解是产品规则:(f g)' = fg' + gf',其中f=x 和g=np.log2(x)。 (另请注意d[log_a(x)]/dx = 1/(x ln(a))。)
因此,分析熵可以计算为:
import math
def dentropy(X):
_, frequencies = np.unique(X, return_counts=True)
probabilities = frequencies / X.shape[0]
return -np.sum([(1/math.log(2, math.e) + np.log2(p)) for p in probabilities])
使用样本向量进行测试,我们有:
a = np.array([1., 1., 1., 3., 3., 2.])
b = np.array([1., 1., 1., 3., 3., 3.])
c = np.array([1., 1., 1., 1., 1., 1.])
print(f"numerical d[entropy(a)]: {numerical_dentropy(a)}")
print(f"numerical d[entropy(b)]: {numerical_dentropy(b)}")
print(f"numerical d[entropy(c)]: {numerical_dentropy(c)}")
print(f"analytical d[entropy(a)]: {dentropy(a)}")
print(f"analytical d[entropy(b)]: {dentropy(b)}")
print(f"analytical d[entropy(c)]: {dentropy(c)}")
当执行时,给我们:
numerical d[entropy(a)]: 0.8417710972707937
numerical d[entropy(b)]: -0.8854028621385623
numerical d[entropy(c)]: -1.4428232973189605
analytical d[entropy(a)]: 0.8418398787754222
analytical d[entropy(b)]: -0.8853900817779268
analytical d[entropy(c)]: -1.4426950408889634
作为奖励,我们可以使用 automatic differentiation 库测试这是否正确:
import torch
a, b, c = torch.from_numpy(a), torch.from_numpy(b), torch.from_numpy(c)
def torch_entropy(X):
_, frequencies = torch.unique(X, return_counts=True)
frequencies = frequencies.type(torch.float32)
probabilities = frequencies / X.shape[0]
probabilities.requires_grad_(True)
return -(probabilities * torch.log2(probabilities)).sum(), probabilities
for v in a, b, c:
h, p = torch_entropy(v)
print(f'torch entropy: {h}')
h.backward()
print(f'torch derivative: {p.grad.sum()}')
这给了我们:
torch entropy: 1.4591479301452637
torch derivative: 0.8418397903442383
torch entropy: 1.0
torch derivative: -0.885390043258667
torch entropy: -0.0
torch derivative: -1.4426950216293335