Add CUR algorithm for selection - Githubissues

qzhu2017 / CSP_BO

Crystal Structure Prediction with Bayesian Optimization

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Add CUR algorithm for selection #22

Closed qzhu2017 closed 4 years ago

qzhu2017 commented 4 years ago

For KFF with (N, N) matrix

Diagonalize: w, u = np.linalg.eigh(K)
N_low = number of w smalller than 1e-10
w_j = \sum (\gamma)

Get rid of N_low configs.

Try with Si_5034.