Filtering a NumPy Array: what is the best approach?

问题

Suppose I have a NumPy array arr that I want to element-wise filter, e.g. I want to get only values below a certain threshold value k.

There are a couple of methods, e.g.:

1. Using generators: np.fromiter((x for x in arr if x < k), dtype=arr.dtype)
2. Using boolean mask slicing: arr[arr < k]
3. Using np.where(): arr[np.where(arr < k)]
4. Using np.nonzero(): arr[np.nonzero(arr < k)]
5. Using a Cython-based custom implementation(s)
6. Using a Numba-based custom implementation(s)

Which is the fastest? What about memory efficiency?

---

(EDITED: Added np.nonzero() based on @ShadowRanger comment)

回答1:

Definitions

1. Using generators:

def filter_fromiter(arr, k):
    return np.fromiter((x for x in arr if x < k), dtype=arr.dtype)

2. Using boolean mask slicing:

def filter_mask(arr, k):
    return arr[arr < k]

3. Using np.where():

def filter_where(arr, k):
    return arr[np.where(arr < k)]

4. Using np.nonzero()

def filter_nonzero(arr, k):
    return arr[np.nonzero(arr < k)]

5. Using a Cython-based custom implementation(s):
   • single-pass filter_cy()
   • two-passes filter2_cy()

%%cython -c-O3 -c-march=native -a
#cython: language_level=3, boundscheck=False, wraparound=False, initializedcheck=False, cdivision=True, infer_types=True


cimport numpy as cnp
cimport cython as ccy

import numpy as np
import cython as cy


cdef long NUM = 1048576
cdef long MAX_VAL = 1048576
cdef long K = 1048576 // 2


cdef int smaller_than_cy(long x, long k=K):
    return x < k


cdef size_t _filter_cy(long[:] arr, long[:] result, size_t size, long k):
    cdef size_t j = 0
    for i in range(size):
        if smaller_than_cy(arr[i]):
            result[j] = arr[i]
            j += 1
    return j


cpdef filter_cy(arr, k):
    result = np.empty_like(arr)
    new_size = _filter_cy(arr, result, arr.size, k)
    return result[:new_size].copy()


cdef size_t _filtered_size(long[:] arr, size_t size, long k):
    cdef size_t j = 0
    for i in range(size):
        if smaller_than_cy(arr[i]):
            j += 1
    return j


cpdef filter2_cy(arr, k):
    cdef size_t new_size = _filtered_size(arr, arr.size, k)
    result = np.empty(new_size, dtype=arr.dtype)
    new_size = _filter_cy(arr, result, arr.size, k)
    return result

6. Using a Numba-based custom implementation
   • single-pass filter_np_nb()
   • two-passes filter2_np_nb()

import numba as nb


@nb.jit
def filter_func(x, k=K):
    return x < k


@nb.jit
def filter_np_nb(arr):
    result = np.empty_like(arr)
    j = 0
    for i in range(arr.size):
        if filter_func(arr[i]):
            result[j] = arr[i]
            j += 1
    return result[:j].copy()


@nb.jit
def filter2_np_nb(arr):
    j = 0
    for i in range(arr.size):
        if filter_func(arr[i]):
            j += 1
    result = np.empty(j, dtype=arr.dtype)
    j = 0
    for i in range(arr.size):
        if filter_func(arr[i]):
            result[j] = arr[i]
            j += 1
    return result

---

Timing Benchmarks

The generator-based filter_fromiter() method is much slower than the others (by approx. 2 orders of magnitude and it is therefore omitted in the charts).

The timing would depend on both the input array size and the percent of filtered items.

As a function of input size

The first graph addresses the timings as a function of the input size (for ~50% filtered out elements):

In general, the Numba based approach is consistently the fastest, closely followed by the Cython approach. Within them, the two-passes approaches are fastest for medium and larger inputs. Within NumPy, the np.where()-based and np.nonzero()-based approaches are basically the same (except for very small inputs for which np.nonzero() seems to be slightly slower), and they are both faster than the boolean mask slicing, except for very small inputs (below ~100 elements) where the boolean mask slicing is faster. Moreover, for very small inputs, the Cython based solution are slower than NumPy-based ones.

As a function of filling

The second graph addresses the timings as a function of items passing through the filter (for a fixed input size of ~1 million elements):

The first observation is that all methods are slowest when approaching a ~50% filling and with less, or more filling they are faster, and fastest towards no filling (highest percent of filtered-out values, lowest percent of passing through values as indicated in the x-axis of the graph). Again, both Numba and Cython version are typically faster than the NumPy-based counterparts, with Numba being fastest almost always and Cython winning over Numba for the outermost right part of the graph. The notable exception to this is when the filling is close to 100%, when single-pass Numba/Cython versions gets basically copied approx. twice and the boolean mask slicing solution eventually outperforms them. The two-passes approaches have increasing marginal speed gains for larger filling vaules. Within NumPy, the np.where()-based and np.nonzero()-based approaches are again basically the same. When comparing NumPy-based solution, the np.where()/np.nonzero() solutions outperform the boolean mask slicing almost always, except for the outermost right part of the graph, where boolean mask slicing becomes the fastest.

(Full code available here)

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Memory Considerations

The generator-based filter_fromiter() method requires only minimal temporary storage, independently of the size of the input. Memory-wise this is the most efficient method. Of similar memory efficiency are the Cython / Numba two-passes methods, because the size of the output is determined during the first pass.

On the memory side, the single-pass solutions for both Cython and Numba require a temporary array of the size of the input. Hence, these are the least memory-efficient methods.

The boolean mask slicing solution requires a temporary array of the size of the input but of type bool, which in NumPy is 1 bit, so this is ~64 times smaller than the default size of a NumPy array on a typical 64-bit system.

The np.where() based solution has the same requirement as the boolean mask slicing in the first step (inside np.where()), which gets converted to a series of ints (typically int64 on a 64-but system) in the second step (the output of np.where()). This second step, therefore, has variable memory requirements, depending on the number of filtered elements.

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Remarks

• the generator method is also the most flexible when it comes to specifying a different filtering condition
• the Cython solution requires specifying the data types for it to be fast
• for both Numba and Cython, the filtering condition can be specified as a generic function (and therefore does not need to be hardcoded), but it must be specified within their respective environment, and care must be taken to make sure that this is properly compiled for speed, or substantial slowdowns are observed
• the single-pass solutions DO require an extra .copy() right before return to avoid wasting memory
• the NumPy methods do NOT return a view of the input, but a copy, as a result of advanced indexing:

arr = np.arange(100)
k = 50
print('`arr[arr > k]` is a copy: ', arr[arr > k].base is None)
# `arr[arr > k]` is a copy:  True
print('`arr[np.where(arr > k)]` is a copy: ', arr[np.where(arr > k)].base is None)
# `arr[np.where(arr > k)]` is a copy:  True
print('`arr[:k]` is a copy: ', arr[:k].base is None)
# `arr[:k]` is a copy:  False

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(EDITED: Included np.nonzero()-based solutions and fixed memory leaks in the single-pass Cython/Numba versions, included two-passes Cython/Numba versions -- based on @ShadowRanger, @PaulPanzer and @max9111 comments.)

来源：https://stackoverflow.com/questions/58422690/filtering-a-numpy-array-what-is-the-best-approach