I have two DFs which I would like to use to calculate the following:
w(ti,ti)*a(ti)^2 + w(tj,tj)*b(sj,tj)^2 + 2*w(si,tj)*a(ti)*b(tj)
The above uses two terms (a,b). w is the weight df where i and j are index and column spaces pertaining to the Tn index of a and b.
Set Up - Edit dynamic W
import pandas as pd
import numpy as np
I = ['i'+ str(i) for i in range(4)]
Q = ['q' + str(i) for i in range(5)]
T = ['t' + str(i) for i in range(3)]
n = 100
df1 = pd.DataFrame({'I': [I[np.random.randint(len(I))] for i in range(n)],
'Q': [Q[np.random.randint(len(Q))] for i in range(n)],
'Tn': [T[np.random.randint(len(T))] for i in range(n)],
'V': np.random.rand(n)}).groupby(['I','Q','Tn']).sum()
df1.head(5)
I Q Tn V
i0 q0 t0 1.626799
t2 1.725374
q1 t0 2.155340
t1 0.479741
t2 1.039178
w = np.random.randn(len(T),len(T))
w = (w*w.T)/2
np.fill_diagonal(w,1)
W = pd.DataFrame(w, columns = T, index = T)
W
t0 t1 t2
t0 1.000000 0.029174 -0.045754
t1 0.029174 1.000000 0.233330
t2 -0.045754 0.233330 1.000000
Effectively I would like to use the index Tn in df1 to use the above equation for every I and Q.
The end result for df1.loc['i0','q0'] in the example above should be:
W(t0,t0) * V(t0)^2
+ W(t2,t2) * V(t2)^2
+ 2 * W(t0,t2) * V(t0) * V(t2)
=
1.0 * 1.626799**2
+ 1.0 * 1.725374**2
+ (-0.045754) * 1.626799 * 1.725374
The end result for df1.loc['i0','q1'] in the example above should be:
W(t0,t0) * V(t0)^2
+ W(t1,t1) * V(t1)^2
+ W(t2,t2) * V(t2)^2
+ 2 * W(t0,t1) * V(t0) * V(t1)
+ 2 * W(t0,t2) * V(t0) * V(t2)
+ 2 * W(t2,t1) * V(t1) * V(t2)
=
1.0 * 2.155340**2
+ 1.0 * 0.479741**2
+ 1.0 * 1.039178**2
+ 0.029174 * 2.155340 * 0.479741 * 1
+ (-0.045754) * 2.155340 * 1.039178 * 1
+ 0.233330 * 0.479741 * 1.039178 * 1
This pattern will repeat depending on the number of tn terms in each Q hence it should be robust enough to handle as many Tn terms as needed (in the example I use 3, but it could be as much as 100 or more).
Each result should then be saved in a new DF with Index = [I, Q]
The solution should also not be slower than excel when n increases in value.
Thanks in advance
One way could be first reindex your dataframe df1 with all the possible combinations of the lists I, Q and Tn with pd.MultiIndex.from_product, filling the missing value in the column 'V' with 0. The column has then len(I)*len(Q)*len(T) elements. Then you can reshape the values to get each row related to one combination on I and Q such as:
ar = (df1.reindex(pd.MultiIndex.from_product([I,Q,T], names=['I','Q','Tn']),fill_value=0)
.values.reshape(-1,len(T)))
To see the relation between my input df1 and ar, here are some related rows
print (df1.head(6))
V
I Q Tn
i0 q0 t1 1.123666
q1 t0 0.538610
t1 2.943206
q2 t0 0.570990
t1 0.617524
t2 1.413926
print (ar[:3])
[[0. 1.1236656 0. ]
[0.53861027 2.94320574 0. ]
[0.57099049 0.61752408 1.4139263 ]]
Now, to perform the multiplication with the element of W, one way is to create the outer product of ar with itself but row-wise to get, for each row a len(T)*len(T) matrix. For example, for the second row:
[0.53861027 2.94320574 0. ]
becomes
[[0.29010102, 1.58524083, 0. ], #0.29010102 = 0.53861027**2, 1.58524083 = 0.53861027*2.94320574 ...
[1.58524083, 8.66246003, 0. ],
[0. , 0. , 0. ]]
Several methods are possible such as ar[:,:,None]*ar[:,None,:] or np.einsum with the right subscript: np.einsum('ij,ik->ijk',ar,ar). Both give same result.
The next step can be done with a tensordot and specify the right axes. So with ar and W as an input, you do:
print (np.tensordot(np.einsum('ij,ik->ijk',ar,ar),W.values,axes=([1,2],[0,1])))
array([ 1.26262437, 15.29352438, 15.94605435, ...
To check for the second value here, 1*0.29010102 + 1*8.66246003 + 2.*2*1.58524083 == 15.29352438 (where 1 is W(t0,t0) and W(t1,t1), 2 is W(t0,t1))
Finally, to create the dataframe as expected, use again pd.MultiIndex.from_product:
new_df = pd.DataFrame({'col1': np.tensordot(np.einsum('ij,ik->ijk',ar,ar),
W.values,axes=([1,2],[0,1]))},
index=pd.MultiIndex.from_product([I,Q], names=['I','Q']))
print (new_df.head(3))
col1
I Q
i0 q0 1.262624
q1 15.293524
q2 15.946054
...
Note: if you are SURE that each element of T is at least once in the last level of df1, the ar can be obtain using unstack such as ar=df1.unstack(fill_value=0).values. But I would suggest to use the reindex method above to prevent any error