python - scipy 版本可以更改 scipy.interpolate.griddata 结果吗？

Question

我的问题始于 scipy 1.2.3 及其函数 scipy.interpolate.griddata，它执行插值并为我提供引用数据集。 (我对三次 2d 插值感兴趣，请参见下面的测试用例)

将 scipy 更新到 scipy 1.5.2 后，我无法生成与以前完全相同的结果...并且差异不可忽略。
通过测试我的 anaconda 发行版中可用的以前版本的 scipy，如果我安装 scipy 1.3.2，我会生成准确的初始插值结果。

所以我认为 griddata 或其子组件之一在 scipy 1.3.2 之后更新。

但我在 Scipy 发行说明中找不到关于它的任何解释:Scipy.org Release Notes , GitHub 上的 scipy/scipy/interpolate/ndgriddata.py 历史上没有任何内容 History ndgriddata , GitHub 上的 scipy/scipy/interpolate/interpnd.pyx 历史上没有任何内容 History interpnd .也许我没有看到明显的东西？

有没有人遇到过这个问题:更新 scipy 改变了 scipy.interpolate.griddata 给出的结果？

---

为了制作测试用例，我借用了一些代码:how-can-i-perform-two-dimensional-interpolation-using-scipy (非常感谢)

from scipy.interpolate import griddata
import numpy as np


# scipy 1.2.3 or (scipy 1.3.2) reference dataset   
z_griddata_scipy_1_2_3 = np.array([[1.22464680e-16, 2.99260075e-02, 4.64921877e-02, 3.63387200e-02,
                                    -1.17334278e-02, -4.10790167e-02, -3.53276896e-02, -1.32599029e-02,
                                    6.57516828e-03, 1.46193750e-02, 1.29942167e-02, 4.60176170e-03,
                                    -1.02398072e-02, -3.13455739e-02, -3.89274672e-02, -1.15549286e-02,
                                    3.59960447e-02, 4.60537630e-02, 2.96438015e-02, 1.22464680e-16],
                                   [3.06593878e-01, 2.94590471e-01, 2.55311166e-01, 1.72704804e-01,
                                    6.75755257e-02, -8.71796149e-02, -1.69793095e-01, -2.16754270e-01,
                                    -2.45929090e-01, -2.64204208e-01, -2.83893302e-01, -2.86038057e-01,
                                    -2.52505900e-01, -1.93389278e-01, -9.70877464e-02, 6.22252315e-02,
                                    1.64062151e-01, 2.49498113e-01, 2.91797267e-01, 3.07425460e-01]])


# auxiliary function for mesh generation
def gimme_mesh(n):
    minval = -1
    maxval = 1
    # produce an asymmetric shape in order to catch issues with transpositions
    return np.meshgrid(np.linspace(minval, maxval, n), np.linspace(minval, maxval, n+1))


# set up underlying test functions, vectorized
def fun_smooth(x, y):
    return np.cos(np.pi * x)*np.sin(np.pi * y)


def test_griddata_cubic():
    # sparse input mesh, 6x7 in shape
    N_sparse = 6
    x_sparse, y_sparse = gimme_mesh(N_sparse)
    z_sparse_smooth = fun_smooth(x_sparse, y_sparse)

    # dense output mesh, 20x21 in shape
    N_dense = 20
    x_dense, y_dense = gimme_mesh(N_dense)

    z_griddata_scipy_test = griddata(np.array([x_sparse.ravel(), y_sparse.ravel()]).T,
                                     z_sparse_smooth.ravel(),
                                     (x_dense, y_dense),
                                     method='cubic')

    try:
        np.testing.assert_almost_equal(z_griddata_scipy_1_2_3, z_griddata_scipy_test[:2], decimal=5)

    except AssertionError as err:
        print (err)


if __name__ == '__main__':
    """
    """
    test_griddata_cubic()

---

我电脑Windows 7、Python 3.7、scipy 1.5.2测试结果:

Arrays are not almost equal to 5 decimals

Mismatched elements: 38 / 40 (95%)
Max absolute difference: 0.03821737
Max relative difference: 0.67726368
 x: array([[ 1.22465e-16,  2.99260e-02,  4.64922e-02,  3.63387e-02,
        -1.17334e-02, -4.10790e-02, -3.53277e-02, -1.32599e-02,
         6.57517e-03,  1.46194e-02,  1.29942e-02,  4.60176e-03,...
 y: array([[ 1.22465e-16,  2.97398e-02,  4.62030e-02,  3.61127e-02,
        -1.15711e-02, -3.85005e-02, -3.03032e-02, -9.36536e-03,
         3.92018e-03,  1.17290e-02,  1.37729e-02,  6.40206e-03,...

我可以观察到差异是不可忽略的!

Answer 1

由于版本 1.4.0 的行为已经不同，对所有 commits 运行二分法在 1.3.2 和 1.4.0 之间，并为每次提交从源构建 SciPy + 运行测试脚本，有助于缩小相关更改的范围。

结果是行为的变化是由these commits引入的这显然引入了一种新的 qh_new_qhull_scipy 算法。该算法又由 griddata 函数使用。根据this commit , qh_new_qhull 之前已打过补丁，因此您获得的新结果很可能是正确的。

---

以下是缩小到相关提交的详细步骤。

准备步骤:

1. 创建一个新的虚拟环境。
2. 获取SciPy源码:git clone https://github.com/scipy/scipy.git；和 mv scipy scipy-source。
3. 安装 building SciPy from source 所需的依赖项(+ pip install tempita)。
4. 将 OP 的代码复制并粘贴到文件 test.py 中，然后删除 np.testing.assert_almost_equal 周围的 try/except。
5. 运行下面的 main 脚本(这将花费很长时间)。

主脚本:

from pathlib import Path
import shlex
import subprocess
import sys

def log(msg, *, level=0, newline=False):
    indent = '    ' * level
    print(f'{indent}{msg}', end='\n' if newline else '', flush=True)

def run(cmd, **kwargs):
    if cmd.startswith('git'):
        kwargs['cwd'] = 'scipy-source'
    kwargs.update(check=True, capture_output=True, text=True)
    return subprocess.run(shlex.split(cmd), **kwargs).stdout.strip()

def run_and_log(cmd, **kwargs):
    exc, *args = shlex.split(cmd)
    exc = Path(exc).name
    log(f'{" ".join([exc, *args])}: ', level=1)
    text = run(cmd, **kwargs).strip()
    if text:
        text = text.splitlines()[-1]
    log(text, newline=True)
    return text

python = sys.executable

ancestor = run('git merge-base v1.3.2 v1.4.0')
commits = run(f'git --no-pager log --pretty=oneline --reverse --ancestry-path {ancestor}..v1.4.0').splitlines()
commits = [x.split(' ', maxsplit=1)[0] for x in commits]
log(f'Scanning {len(commits)} commits', newline=True)

low, high = 0, len(commits)
index = (low + high) // 2

while 0 < index < len(commits):
    commit = commits[index]

    log(f'{commit[:8]} ({index})', newline=True)

    run_and_log(f'{python} -m pip uninstall -y scipy')
    run_and_log(f'git checkout {commit}')
    try:
        run_and_log(f'{python} -m pip install .', cwd='scipy-source')
    except subprocess.CalledProcessError:
        log('build failed', newline=True)
        index += 1
        continue
    try:
        run_and_log(f'{python} test.py')
    except subprocess.CalledProcessError:
        log('failed', newline=True)
        high = index
    else:
        low = index
    if high - low <= 1:
        break
    index = (low + high) // 2

它产生以下输出:

$ python main.py 
Scanning 1281 commits
19f4c290 (640)
    python -m pip uninstall -y scipy:   Successfully uninstalled scipy-1.4.0.dev0+18219f5
    git checkout 19f4c2900d6c62d1e56c2faecd8a2b1d584c094e: 
    python -m pip install .: Successfully installed scipy-1.4.0.dev0+19f4c29
    python test.py: failed
983e83e5 (320)
    python -m pip uninstall -y scipy:   Successfully uninstalled scipy-1.4.0.dev0+19f4c29
    git checkout 983e83e549a1c6f04b4657d2396dc47ab4b8d0e1: 
    python -m pip install .: Successfully installed scipy-1.4.0.dev0+983e83e
    python test.py: 
a3276047 (480)
    python -m pip uninstall -y scipy:   Successfully uninstalled scipy-1.4.0.dev0+983e83e
    git checkout a3276047bb3493eeab6dac5148615cc8010faac0: 
    python -m pip install .: Successfully installed scipy-1.4.0.dev0+a327604
    python test.py: failed
35f86bc3 (400)
    python -m pip uninstall -y scipy:   Successfully uninstalled scipy-1.4.0.dev0+a327604
    git checkout 35f86bc33016dc88fc4340e4dc3f23bf86e4f311: 
    python -m pip install .: Successfully installed scipy-1.4.0.dev0+35f86bc
    python test.py: failed
7b0345e9 (360)
    python -m pip uninstall -y scipy:   Successfully uninstalled scipy-1.4.0.dev0+35f86bc
    git checkout 7b0345e9c038d7c1082ec0097f1ed4a626734bf4: 
    python -m pip install .: Successfully installed scipy-1.4.0.dev0+7b0345e
    python test.py: failed
f9525c3c (340)
    python -m pip uninstall -y scipy:   Successfully uninstalled scipy-1.4.0.dev0+7b0345e
    git checkout f9525c3ce7a9b63afda23b0af2ad32c7fbcedaa9: 
    python -m pip install .: Successfully installed scipy-1.4.0.dev0+f9525c3
    python test.py: 
4a71ecf7 (350)
    python -m pip uninstall -y scipy:   Successfully uninstalled scipy-1.4.0.dev0+f9525c3
    git checkout 4a71ecf72be8321eb9a5faf7307f4c18cb0cb500: 
    python -m pip install .: Successfully installed scipy-1.4.0.dev0+4a71ecf
    python test.py: failed
9b7879b8 (345)
    python -m pip uninstall -y scipy:   Successfully uninstalled scipy-1.4.0.dev0+4a71ecf
    git checkout 9b7879b832aa52131383999fc7dd0dfa3575a4c2: 
    python -m pip install .: Successfully installed scipy-1.4.0.dev0+9b7879b
    python test.py: failed
5481d175 (342)
    python -m pip uninstall -y scipy:   Successfully uninstalled scipy-1.4.0.dev0+9b7879b
    git checkout 5481d175bb29d7162ac9eed18bb9181a2b566f20: 
    python -m pip install .: Successfully installed scipy-1.4.0.dev0+5481d17
    python test.py: 
f2854466 (343)
    python -m pip uninstall -y scipy:   Successfully uninstalled scipy-1.4.0.dev0+5481d17
    git checkout f28544666cbc74c86c21fc2b320bc31f9fbd1c2c: 
    python -m pip install .: Successfully installed scipy-1.4.0.dev0+f285446
    python test.py: 
18219f5a (344)
    python -m pip uninstall -y scipy:   Successfully uninstalled scipy-1.4.0.dev0+f285446
    git checkout 18219f5a1971be9a3fd6d590aeb496a419e8cd0e: 
    python -m pip install .: Successfully installed scipy-1.4.0.dev0+18219f5
    python test.py: failed