| | """ |
| | This module provides functions to perform full Procrustes analysis. |
| | |
| | This code was originally written by Justin Kucynski and ported over from |
| | scikit-bio by Yoshiki Vazquez-Baeza. |
| | """ |
| |
|
| | import numpy as np |
| | from scipy.linalg import orthogonal_procrustes |
| |
|
| |
|
| | __all__ = ['procrustes'] |
| |
|
| |
|
| | def procrustes(data1, data2): |
| | r"""Procrustes analysis, a similarity test for two data sets. |
| | |
| | Each input matrix is a set of points or vectors (the rows of the matrix). |
| | The dimension of the space is the number of columns of each matrix. Given |
| | two identically sized matrices, procrustes standardizes both such that: |
| | |
| | - :math:`tr(AA^{T}) = 1`. |
| | |
| | - Both sets of points are centered around the origin. |
| | |
| | Procrustes ([1]_, [2]_) then applies the optimal transform to the second |
| | matrix (including scaling/dilation, rotations, and reflections) to minimize |
| | :math:`M^{2}=\sum(data1-data2)^{2}`, or the sum of the squares of the |
| | pointwise differences between the two input datasets. |
| | |
| | This function was not designed to handle datasets with different numbers of |
| | datapoints (rows). If two data sets have different dimensionality |
| | (different number of columns), simply add columns of zeros to the smaller |
| | of the two. |
| | |
| | Parameters |
| | ---------- |
| | data1 : array_like |
| | Matrix, n rows represent points in k (columns) space `data1` is the |
| | reference data, after it is standardised, the data from `data2` will be |
| | transformed to fit the pattern in `data1` (must have >1 unique points). |
| | data2 : array_like |
| | n rows of data in k space to be fit to `data1`. Must be the same |
| | shape ``(numrows, numcols)`` as data1 (must have >1 unique points). |
| | |
| | Returns |
| | ------- |
| | mtx1 : array_like |
| | A standardized version of `data1`. |
| | mtx2 : array_like |
| | The orientation of `data2` that best fits `data1`. Centered, but not |
| | necessarily :math:`tr(AA^{T}) = 1`. |
| | disparity : float |
| | :math:`M^{2}` as defined above. |
| | |
| | Raises |
| | ------ |
| | ValueError |
| | If the input arrays are not two-dimensional. |
| | If the shape of the input arrays is different. |
| | If the input arrays have zero columns or zero rows. |
| | |
| | See Also |
| | -------- |
| | scipy.linalg.orthogonal_procrustes |
| | scipy.spatial.distance.directed_hausdorff : Another similarity test |
| | for two data sets |
| | |
| | Notes |
| | ----- |
| | - The disparity should not depend on the order of the input matrices, but |
| | the output matrices will, as only the first output matrix is guaranteed |
| | to be scaled such that :math:`tr(AA^{T}) = 1`. |
| | |
| | - Duplicate data points are generally ok, duplicating a data point will |
| | increase its effect on the procrustes fit. |
| | |
| | - The disparity scales as the number of points per input matrix. |
| | |
| | References |
| | ---------- |
| | .. [1] Krzanowski, W. J. (2000). "Principles of Multivariate analysis". |
| | .. [2] Gower, J. C. (1975). "Generalized procrustes analysis". |
| | |
| | Examples |
| | -------- |
| | >>> import numpy as np |
| | >>> from scipy.spatial import procrustes |
| | |
| | The matrix ``b`` is a rotated, shifted, scaled and mirrored version of |
| | ``a`` here: |
| | |
| | >>> a = np.array([[1, 3], [1, 2], [1, 1], [2, 1]], 'd') |
| | >>> b = np.array([[4, -2], [4, -4], [4, -6], [2, -6]], 'd') |
| | >>> mtx1, mtx2, disparity = procrustes(a, b) |
| | >>> round(disparity) |
| | 0.0 |
| | |
| | """ |
| | mtx1 = np.array(data1, dtype=np.float64, copy=True) |
| | mtx2 = np.array(data2, dtype=np.float64, copy=True) |
| |
|
| | if mtx1.ndim != 2 or mtx2.ndim != 2: |
| | raise ValueError("Input matrices must be two-dimensional") |
| | if mtx1.shape != mtx2.shape: |
| | raise ValueError("Input matrices must be of same shape") |
| | if mtx1.size == 0: |
| | raise ValueError("Input matrices must be >0 rows and >0 cols") |
| |
|
| | |
| | mtx1 -= np.mean(mtx1, 0) |
| | mtx2 -= np.mean(mtx2, 0) |
| |
|
| | norm1 = np.linalg.norm(mtx1) |
| | norm2 = np.linalg.norm(mtx2) |
| |
|
| | if norm1 == 0 or norm2 == 0: |
| | raise ValueError("Input matrices must contain >1 unique points") |
| |
|
| | |
| | mtx1 /= norm1 |
| | mtx2 /= norm2 |
| |
|
| | |
| | R, s = orthogonal_procrustes(mtx1, mtx2) |
| | mtx2 = np.dot(mtx2, R.T) * s |
| |
|
| | |
| | disparity = np.sum(np.square(mtx1 - mtx2)) |
| |
|
| | return mtx1, mtx2, disparity |
| |
|
| |
|