Хорошая настройка для использования einsum
!
np.einsum('ij,kl,ik->jl',Ai,Ai,arr2D,optimize=True)
Сроки -
In [71]: # Setup inputs
...: Ai = np.random.random((8,101))
...: arr = np.random.random( (Ai.shape[0] * Ai.shape[0]) )
...: arr2D = arr.reshape(Ai.shape[0], Ai.shape[0])
In [74]: %%timeit # Original soln
...: Arr2D = np.zeros((Ai.shape[0], Ai.shape[0], Ai.shape[1], Ai.shape[1]))
...: Arr2D[:,:,:,:] = np.asarray([ np.outer(Ai[i], Ai[j]) for i in range(Ai.shape[0])
...: for j in range(Ai.shape[0]) ]).reshape(Ai.shape[0],Ai.shape[0],Ai[0].size,Ai[0].size)
...: H = np.tensordot(Arr2D, arr2D, axes=([0,1],[0,1]))
100 loops, best of 3: 4.5 ms per loop
In [75]: %timeit np.einsum('ij,kl,ik->jl',Ai,Ai,arr2D,optimize=True)
10000 loops, best of 3: 146 µs per loop
30x+
ускорение там!