MATLAB matrix^-0.5 equivalent in Python - python

I suggested it could be
np.linalg.inv(np.sqrt(matrix))
but having compared result with MATLAB I saw big difference:
This was in MATLAB
0.2622 -0.0828 -0.0708
-0.0828 0.2601 -0.0792
-0.0708 -0.0792 0.2664
And this was in Python:
0.8607 -0.4417 -0.3536
-0.4417 0.8967 -0.4158
-0.3536 -0.4158 0.8525
Input was
34.502193 27.039107 24.735074
27.039107 36.535737 26.069613
24.735074 26.069613 32.798584

There is no "matrix" class in python. From your code it looks you're talking about numpy.
A possible gotcha for matlab users is that in numpy array operations are elementwise by default, and if you want matrix operations, you need to request them: np.dot for matrix multiplications, np.linalg.inv for inversion etc.
np.linalg.inv(np.sqrt(a)) first takes the square root of each element of a, and then inverts the result in the linear algebra sense. I suspect this is not what you meant to mean.
If you meant elementwise operations, i.e. you wanted to raise each element to power -1/2, then like #Benoit_11 suggests, use
1 / np.sqrt(a).
If what you want is actually a linear algebra operation, then use scipy.linalg.sqrtm
In [14]: a
Out[14]:
array([[ 34.502193, 27.039107, 24.735074],
[ 27.039107, 36.535737, 26.069613],
[ 24.735074, 26.069613, 32.798584]])
In [15]: from scipy.linalg import sqrtm
In [16]: sq = sqrtm(a)
In [17]: np.dot(sq, sq) - a
Out[17]:
array([[ 4.97379915e-14, 4.97379915e-14, 2.84217094e-14],
[ 5.32907052e-14, 6.39488462e-14, 4.61852778e-14],
[ 3.55271368e-14, 3.19744231e-14, 3.55271368e-14]])

It looks like using Python you calculated the inverse of the square root of the matrix (sounds weird sorry) instead of raising the matrix to the power -0.5.
For instance, running this command with Matlab I get your output with python:
m = [34.502193 27.039107 24.735074
27.039107 36.535737 26.069613
24.735074 26.069613 32.798584]
A = inv(sqrt(m))
A =
0.8608 -0.4417 -0.3537
-0.4417 0.8967 -0.4159
-0.3537 -0.4159 0.8525
versus this:
B = m^(-.5)
B =
0.2622 -0.0828 -0.0708
-0.0828 0.2601 -0.0792
-0.0708 -0.0792 0.2664
For the correct Python code please look at #ev-br's answer
Beware that there is such a thing as the matrix square root, which for a matrix M is defined as:
A*A = M
and does not correspond at all to the square root of each element in the matrix M taken individually. The matrix square root is obtained in Matlab using the sqrtm function and is equivalent to m^(.5).

Related

Computation difference between function and manual computation

I am facing a mystery right now. I get strange results in some program and I think it may be related to the computation since I got different results with my functions compared to manual computation.
This is from my program, I am printing the values pre-computation :
print("\nPrecomputation:\nmatrix\n:", matrix)
tmp = likelihood_left * likelihood_right
print("\nconditional_dep:", tmp)
print("\nfinal result:", matrix # tmp)
I got the following output:
Precomputation:
matrix:
[array([0.08078721, 0.5802404 , 0.16957052, 0.09629893, 0.07310294])
array([0.14633129, 0.45458744, 0.20096238, 0.02142105, 0.17669784])
array([0.41198731, 0.06197812, 0.05934063, 0.23325626, 0.23343768])
array([0.15686545, 0.29516415, 0.20095091, 0.14720275, 0.19981674])
array([0.15965914, 0.18383683, 0.10606946, 0.14234812, 0.40808645])]
conditional_dep: [0.01391123 0.01388155 0.17221067 0.02675524 0.01033257]
final result: [0.07995043 0.03485223 0.02184015 0.04721548 0.05323298]
The thing is when I compute the following code:
matrix = [np.array([0.08078721, 0.5802404 , 0.16957052, 0.09629893, 0.07310294]),
np.array([0.14633129, 0.45458744, 0.20096238, 0.02142105, 0.17669784]),
np.array([0.41198731, 0.06197812, 0.05934063, 0.23325626, 0.23343768]),
np.array([0.15686545, 0.29516415, 0.20095091, 0.14720275, 0.19981674]),
np.array([0.15965914, 0.18383683, 0.10606946, 0.14234812, 0.40808645])]
tmp = np.asarray([0.01391123, 0.01388155, 0.17221067, 0.02675524, 0.01033257])
matrix # tmp
The values in use are exactly the same as they should be in the computation before but I get the following result:
array([0.04171218, 0.04535276, 0.02546353, 0.04688848, 0.03106443])
This result is then obviously different than the previous one and is the true one (I computed the dot product by hand).
I have been facing this problem the whole day and I did not find anything useful online. If any of you have any even tiny idea where it can come from I'd be really happy :D
Thank's in advance
Yann
PS: I can show more of the code if needed.
PS2: I don't know if it is relevant but this is used in a dynamic programming algorithm.
To recap our discussion in the comments, in the first part ("pre-computation"), the following is true about the matrix object:
>>> matrix.shape
(5,)
>>> matrix.dtype
dtype('O') # aka object
And as you say, this is due to matrix being a slice of a larger, non-uniform array. Let's recreate this situation:
>>> matrix = np.array([[], np.array([0.08078721, 0.5802404 , 0.16957052, 0.09629893, 0.07310294]), np.array([0.14633129, 0.45458744, 0.20096238, 0.02142105, 0.17669784]), np.array([0.41198731, 0.06197812, 0.05934063, 0.23325626, 0.23343768]), np.array([0.15686545, 0.29516415, 0.20095091, 0.14720275, 0.19981674]), np.array([0.15965914, 0.18383683, 0.10606946, 0.14234812, 0.40808645])])[1:]
It is now not a matrix with scalars in rows and columns, but a column vector of column vectors. Technically, matrix # tmp is an operation between two 1-D arrays and hence NumPy should, according to the documentation, calculate the inner product of the two. This is true in this case, with the convention that the sum be over the first axis:
>>> np.array([matrix[i] * tmp[i] for i in range(5)]).sum(axis=0)
array([0.07995043, 0.03485222, 0.02184015, 0.04721548, 0.05323298])
>>> matrix # tmp
array([0.07995043, 0.03485222, 0.02184015, 0.04721548, 0.05323298])
This is essentially the same as taking the transpose of the proper 2-D matrix before the multiplication:
>>> np.stack(matrix).T # tmp
array([0.07995043, 0.03485222, 0.02184015, 0.04721548, 0.05323298])
Equivalently, as noted by #jirasssimok:
>>> tmp # np.stack(matrix)
array([0.07995043, 0.03485222, 0.02184015, 0.04721548, 0.05323298])
Hence the erroneous or unexpected result.
As you have already resolved to do in the comments, this can be avoided in the future by ensuring all matrices are proper 2-D arrays.
It looks like you got the operands switched in one of your matrix multiplications.
Using the same values of matrix and tmp that you provided, matrix # tmp and tmp # matrix provide the two results you showed.1
matrix = [np.array([0.08078721, 0.5802404 , 0.16957052, 0.09629893, 0.07310294]),
np.array([0.14633129, 0.45458744, 0.20096238, 0.02142105, 0.17669784]),
np.array([0.41198731, 0.06197812, 0.05934063, 0.23325626, 0.23343768]),
np.array([0.15686545, 0.29516415, 0.20095091, 0.14720275, 0.19981674]),
np.array([0.15965914, 0.18383683, 0.10606946, 0.14234812, 0.40808645])]
tmp = np.asarray([0.01391123, 0.01388155, 0.17221067, 0.02675524, 0.01033257])
print(matrix # tmp) # [0.04171218 0.04535276 0.02546353 0.04688848 0.03106443]
print(tmp # matrix) # [0.07995043 0.03485222 0.02184015 0.04721548 0.05323298]
To make it a little more obvious what your code is doing, you might also consider using np.dot instead of #. If you pass matrix as the first argument and tmp as the second, it will have the result you want, and make it more clear that you're conceptually calculating dot products rather than multiplying matrices.
As an additional note, if you're performing matrix operations on matrix, it might be better if it was a single two-dimensional array instead of a list of 1-dimensional arrays. this will prevent errors of the sort you'll see right now if you try to run matrix # matrix. This would also let you say matrix.dot(tmp) instead of np.dot(matrix, tmp) if you wanted to.
(I'd guess that you can use np.stack or a similar function to create matrix, or you can call np.stack on matrix after creating it.)
1 Because tmp has only one dimension and matrix has two, NumPy can and will treat tmp as whichever type of vector makes the multiplication work (using broadcasting). So tmp is treated as a column vector in matrix # tmp and a row vector in tmp # matrix.

Scipy LinearOperator With Multiple Inputs

I need to invert a large, dense matrix which I hoped to use Scipy's gmres to do. Fortunately, the dense matrix A follows a pattern and I do not need to store the matrix in memory. The LinearOperator class allows us to construct an object which acts as the matrix for GMRES and can compute directly the matrix vector product A*v. That is, we write a function mv(v) which takes as input a vector v and returns mv(v) = A*v. Then, we can use the LinearOperator class to create A_LinOp = LinearOperator(shape = shape, matvec = mv). We can put the linear operator into the Scipy gmres command to evaluate the matrix vector products without ever having to fully load A into memory.
The documentation for the LinearOperator is found here: LinearOperator Documentation.
Here is my problem: to write the routine to compute the matrix vector product mv(v) = A*v, I need another input vector C. The entries in A are of the form A[i,j] = f(C[i] - C[j]). So, what I really want is for mv to be of two inputs, one fixed vector input C, and one variable input v which we want to compute A*v.
MATLAB has a similar setup, where would write x = gmres(#(v) mv(v,C),b) where b is the right hand side of the problem Ax = b, , and mv is the function that takes as variable input v which we want to compute A*v and C is the fixed, known vector which we need for the assembly of A.
My problem is that I can't figure out how to allow the LinearOperator class to accept two inputs, one variable and one "fixed" like I can in MATLAB.
Is there a way to do the analogous operation in SciPy? Alternatively, if anyone knows of a better way of inverting a large, dense matrix (50000, 50000) where the entries follow a pattern, I would greatly appreciate any suggestions.
Thanks!
EDIT: I should have stated this information actually. The matrix is actually (in block form) [A C; C^T 0], where A is N x N (N large) and C is N x 3, and the 0 is 3 x 3 and C^T is the transpose of C. This array C is the same array as the one mentioned above. The entries of A follow a pattern A[i,j] = f(C[i] - C[j]).
I wrote mv(v,C) to go row by row construct A*v[i] for i=0,N, by computing sum f(C[i]-C[j)*v[j] (actually, I do numpy.dot(FC,v) where FC[j] = f(C[i]-C[j]) which works well). Then, at the end doing the computations for the C^T rows. I was hoping to eventually replace the large for loop with a multiprocessing call to parallelize the for loop, but that's a future thing to consider. I will also look into using Cython to speed up the computations.
This is very late, but if you're still interested...
Your A matrix must be very low rank since it's a nonlinearly transformed version of a rank-2 matrix. Plus it's symmetric. That means it's trivial to inverse: get the truncated eigenvalue decompostion with, say, 5 eigenvalues: A = U*S*U', then invert that: A^-1 = U*S^-1*U'. S is diagonal so this is inexpensive. You can get the truncated eigenvalue decomposition with eigh.
That takes care of A. Then for the rest: use the block matrix inversion formula. Looks nasty, but I will bet you 100,000,000 prussian francs that it's 50x faster than the direct method you were using.
I faced the same situation (some years later than you) of trying to use more than one argument to LinearOperator, but for another problem. The solution I found was the use of global variables, to avoid passing the variables as arguments to the function.

Inverting large sparse matrices with scipy

I have to invert a large sparse matrix. I cannot escape from the matrix inversion, the only shortcut would be to just get an idea of the main diagonal elements, and ignore the off-diagonal elements (I'd rather not, but as a solution it'd be acceptable).
The matrices I need to invert are typically large(40000 *40000), and only have a handful of non-nonzero diagonals. My current approach is to build everything sparse, and then
posterior_covar = np.linalg.inv ( hessian.todense() )
this clearly takes a long time and plenty of memory.
Any hints, or it's just a matter of patience or making the problem smaller?
I don't think that the sparse module has an explicit inverse method, but it does have sparse solvers. Something like this toy example works:
>>> a = np.random.rand(3, 3)
>>> a
array([[ 0.31837307, 0.11282832, 0.70878689],
[ 0.32481098, 0.94713997, 0.5034967 ],
[ 0.391264 , 0.58149983, 0.34353628]])
>>> np.linalg.inv(a)
array([[-0.29964242, -3.43275347, 5.64936743],
[-0.78524966, 1.54400931, -0.64281108],
[ 1.67045482, 1.29614174, -2.43525829]])
>>> a_sps = scipy.sparse.csc_matrix(a)
>>> lu_obj = scipy.sparse.linalg.splu(a_sps)
>>> lu_obj.solve(np.eye(3))
array([[-0.29964242, -0.78524966, 1.67045482],
[-3.43275347, 1.54400931, 1.29614174],
[ 5.64936743, -0.64281108, -2.43525829]])
Note that the result is transposed!
If you expect your inverse to also be sparse, and the dense return from the last solve won't fit in memory, you can also generate it one row (column) at a time, extract the non-zero values, and build the sparse inverse matrix from those:
>>> for k in xrange(3) :
... b = np.zeros((3,))
... b[k] = 1
... print lu_obj.solve(b)
...
[-0.29964242 -0.78524966 1.67045482]
[-3.43275347 1.54400931 1.29614174]
[ 5.64936743 -0.64281108 -2.43525829]

Sparse Matrix Addition

I am using a sparse matrix format implemented in scipy as csr_matrix. I have a mat variable which is in csr_matrix format and all its elements are non-negative. However, when I use mat + mat operation, the non-zero element number decreases which is quite strange to me. What want is a element-wise addition but why the non-element number will decreases as each of the element is non-negative.
Best Regards
The nnz member of csr_matrix in SciPy counts explicit zeros, so depending on how you create your matrix, this may explain what you are observing. You can see this behavior by explicitly setting zeros in a matrix.
>>> from scipy.sparse import csr_matrix
>>> A = csr_matrix((5, 5))
>>> A.nnz
0
>>> A[0, 0] = 0
>>> A.nnz
1
>>> A[1,1] = 0
>>> A.nnz
2
Now when you do an operation that creates a new matrix (such as matrix addition), the explicit zeros are not retained.
>>> B = A + A
>>> B.nnz
0
although it might be a bit over kill and not related it may be worth looking into these two libraries
petsc4py
petsc
will just about solve any sparse matrix problem you can think of

mrdivide function in MATLAB: what is it doing, and how can I do it in Python?

I have this line of MATLAB code:
a/b
I am using these inputs:
a = [1,2,3,4,5,6,7,8,9,1,2,3,4,5,6,7,8,9]
b = ones(25, 18)
This is the result (a 1x25 matrix):
[5,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
What is MATLAB doing? I am trying to duplicate this behavior in Python, and the mrdivide documentation in MATLAB was unhelpful. Where does the 5 come from, and why are the rest of the values 0?
I have tried this with other inputs and receive similar results, usually just a different first element and zeros filling the remainder of the matrix. In Python when I use linalg.lstsq(b.T,a.T), all of the values in the first matrix returned (i.e. not the singular one) are 0.2. I have already tried right division in Python and it gives something completely off with the wrong dimensions.
I understand what a least square approximation is, I just need to know what mrdivide is doing.
Related:
Array division- translating from MATLAB to Python
MRDIVIDE or the / operator actually solves the xb = a linear system, as opposed to MLDIVIDE or the \ operator which will solve the system bx = a.
To solve a system xb = a with a non-symmetric, non-invertible matrix b, you can either rely on mridivide(), which is done via factorization of b with Gauss elimination, or pinv(), which is done via Singular Value Decomposition, and zero-ing of the singular values below a (default) tolerance level.
Here is the difference (for the case of mldivide): What is the difference between PINV and MLDIVIDE when I solve A*x=b?
When the system is overdetermined, both algorithms provide the
same answer. When the system is underdetermined, PINV will return the
solution x, that has the minimum norm (min NORM(x)). MLDIVIDE will
pick the solution with least number of non-zero elements.
In your example:
% solve xb = a
a = [1,2,3,4,5,6,7,8,9,1,2,3,4,5,6,7,8,9];
b = ones(25, 18);
the system is underdetermined, and the two different solutions will be:
x1 = a/b; % MRDIVIDE: sparsest solution (min L0 norm)
x2 = a*pinv(b); % PINV: minimum norm solution (min L2)
>> x1 = a/b
Warning: Rank deficient, rank = 1, tol = 2.3551e-014.
ans =
5.0000 0 0 ... 0
>> x2 = a*pinv(b)
ans =
0.2 0.2 0.2 ... 0.2
In both cases the approximation error of xb-a is non-negligible (non-exact solution) and the same, i.e. norm(x1*b-a) and norm(x2*b-a) will return the same result.
What is MATLAB doing?
A great break-down of the algorithms (and checks on properties) invoked by the '\' operator, depending upon the structure of matrix b is given in this post in scicomp.stackexchange.com. I am assuming similar options apply for the / operator.
For your example, MATLAB is most probably doing a Gaussian elimination, giving the sparsest solution amongst a infinitude (that's where the 5 comes from).
What is Python doing?
Python, in linalg.lstsq uses pseudo-inverse/SVD, as demonstrated above (that's why you get a vector of 0.2's). In effect, the following will both give you the same result as MATLAB's pinv():
from numpy import *
a = array([1,2,3,4,5,6,7,8,9,1,2,3,4,5,6,7,8,9])
b = ones((25, 18))
# xb = a: solve b.T x.T = a.T instead
x2 = linalg.lstsq(b.T, a.T)[0]
x2 = dot(a, linalg.pinv(b))
TL;DR: A/B = np.linalg.solve(B.conj().T, A.conj().T).conj().T
I did not find the earlier answers to create a satisfactory substitute, so I dug into Matlab's reference documents for mrdivide further and found the solution. I cannot explain the actual mathematics here or take credit for coming up with the answer. I'm just following Matlab's explanation. Additionally, I wanted to post the actual detail from Matlab to give credit. If it's a copyright issue, someone tell me and I'll remove the actual text.
%/ Slash or right matrix divide.
% A/B is the matrix division of B into A, which is roughly the
% same as A*INV(B) , except it is computed in a different way.
% More precisely, A/B = (B'\A')'. See MLDIVIDE for details.
%
% C = MRDIVIDE(A,B) is called for the syntax 'A / B' when A or B is an
% object.
%
% See also MLDIVIDE, RDIVIDE, LDIVIDE.
% Copyright 1984-2005 The MathWorks, Inc.
Note that the ' symbol indicates the complex conjugate transpose. In python using numpy, that requires .conj().T chained together.
Per this handy "cheat sheet" of numpy for matlab users, linalg.lstsq(b,a) -- linalg is numpy.linalg.linalg, a light-weight version of the full scipy.linalg.
a/b finds the least square solution to the system of linear equations bx = a
if b is invertible, this is a*inv(b), but if it isn't, the it is the x which minimises norm(bx-a)
You can read more about least squares on wikipedia.
according to matlab documentation, mrdivide will return at most k non-zero values, where k is the computed rank of b. my guess is that matlab in your case solves the least squares problem given by replacing b by b(:1) (which has the same rank). In this case the moore-penrose inverse b2 = b(1,:); inv(b2*b2')*b2*a' is defined and gives the same answer

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