function moments_XX¶
- deeptime.covariance.moments_XX(X, remove_mean=False, modify_data=False, weights=None, sparse_mode='auto', sparse_tol=0.0, column_selection=None, diag_only=False)¶
Computes the first two unnormalized moments of X.
Computes \(s = \sum_t x_t\) and \(C = X^{\top} X\) while exploiting zero or constant columns in the data matrix.
- Parameters:
X (ndarray (T, M)) – Data matrix
remove_mean (bool) – True: remove column mean from the data, False: don’t remove mean.
modify_data (bool) – If remove_mean=True, the mean will be removed in the data matrix X, without creating an independent copy. This option is faster but might lead to surprises because your input array is changed.
weights (None or ndarray(T, )) – weights assigned to each trajectory point. If None, all data points have weight one. If ndarray, each data point is assigned a separate weight.
sparse_mode (str) –
- one of:
’dense’ : always use dense mode
’sparse’ : always use sparse mode if possible
’auto’ : automatic
sparse_tol (float) – Threshold for considering column to be zero in order to save computing effort when the data is sparse or almost sparse. If
max(abs(X[:, i])) < sparse_tol
, then row i (and also column i if Y is not given) of the covariance matrix will be set to zero. If Y is given andmax(abs(Y[:, i])) < sparse_tol
, then column i of the covariance matrix will be set to zero.column_selection (ndarray(k, dtype=int) or None) – Indices of those columns that are to be computed. If None, all columns are computed.
diag_only (bool) – If True, the computation is restricted to the diagonal entries (autocorrelations) only.
- Returns:
w (float) – statistical weight
s (ndarray (M)) – sum
C (ndarray (M, M)) – unnormalized covariance matrix