python - 执行数学 sigma 和的最快、最有效和 pythonic 方法是什么？

Question

假设我想执行数学求和，比如 Madhava–Leibniz formula for π , 在 Python 中:

在一个名为 Leibniz_pi() 的函数中，我可以创建一个循环来计算第 n^th 个部分和，例如:

def Leibniz_pi(n):
    nth_partial_sum = 0       #initialize the variable
    for i in range(n+1):
        nth_partial_sum += ((-1)**i)/(2*i + 1)
    return nth_partial_sum

我假设使用 xrange() 之类的东西而不是 range() 会更快。使用 numpy 及其内置的 numpy.sum() 方法会更快吗？这样的例子会是什么样子？

Answer 1

我想大多数人会通过@zero 定义最快的解决方案，只使用 numpy 作为最 pythonic，但它肯定不是最快的。通过一些额外的优化，您可以将已经非常快的 numpy 实现提高 50 倍。

仅使用 Numpy (@zero)

import numpy as np
import numexpr as ne
import numba as nb

def Leibniz_point(n):
    val = (-1)**n / (2*n + 1)
    return val

%timeit Leibniz_point(np.arange(1000)).sum()
33.8 µs ± 203 ns per loop (mean ± std. dev. of 7 runs, 10000 loops each)

利用 numexpr

n=np.arange(1000)
%timeit ne.evaluate("sum((-1)**n / (2*n + 1))")
21 µs ± 354 ns per loop (mean ± std. dev. of 7 runs, 10000 loops each)

使用 Numba 编译您的函数

# with error_model="numpy", turns off division-by-zero checks 
@nb.njit(error_model="numpy",cache=True)
def Leibniz_pi(n):
  nth_partial_sum = 0.       #initialize the variable as float64
  for i in range(n+1):
      nth_partial_sum += ((-1)**i)/(2*i + 1)
  return nth_partial_sum

%timeit Leibniz_pi(999)
6.48 µs ± 38.6 ns per loop (mean ± std. dev. of 7 runs, 100000 loops each)

编辑，优化代价高昂的 (-1)**n

import numba as nb
import numpy as np

#replacement for the much more costly (-1)**n
@nb.njit()
def sgn(i):
    if i%2>0:
        return -1.
    else:
        return 1.

# with error_model="numpy", turns off the division-by-zero checks
#
# fastmath=True makes SIMD-vectorization in this case possible
# floating point math is in general not commutative
# e.g. calculating four times sgn(i)/(2*i + 1) at once and then the sum 
# is not exactly the same as doing this sequentially, therefore you have to
# explicitly allow the compiler to make the optimizations

@nb.njit(fastmath=True,error_model="numpy",cache=True)
def Leibniz_pi(n):
    nth_partial_sum = 0.       #initialize the variable
    for i in range(n+1):
        nth_partial_sum += sgn(i)/(2*i + 1)
    return nth_partial_sum

%timeit Leibniz_pi(999)
777 ns ± 5.36 ns per loop (mean ± std. dev. of 7 runs, 1000000 loops each)