# scipy/scipy

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 """Sparse block 1-norm estimator. """ from __future__ import division, print_function, absolute_import import numpy as np from scipy.sparse.linalg import aslinearoperator __all__ = ['onenormest'] def onenormest(A, t=2, itmax=5, compute_v=False, compute_w=False): """ Compute a lower bound of the 1-norm of a sparse matrix. Parameters ---------- A : ndarray or other linear operator A linear operator that can be transposed and that can produce matrix products. t : int, optional A positive parameter controlling the tradeoff between accuracy versus time and memory usage. Larger values take longer and use more memory but give more accurate output. itmax : int, optional Use at most this many iterations. compute_v : bool, optional Request a norm-maximizing linear operator input vector if True. compute_w : bool, optional Request a norm-maximizing linear operator output vector if True. Returns ------- est : float An underestimate of the 1-norm of the sparse matrix. v : ndarray, optional The vector such that ||Av||_1 == est*||v||_1. It can be thought of as an input to the linear operator that gives an output with particularly large norm. w : ndarray, optional The vector Av which has relatively large 1-norm. It can be thought of as an output of the linear operator that is relatively large in norm compared to the input. Notes ----- This is algorithm 2.4 of [1]. In [2] it is described as follows. "This algorithm typically requires the evaluation of about 4t matrix-vector products and almost invariably produces a norm estimate (which is, in fact, a lower bound on the norm) correct to within a factor 3." .. versionadded:: 0.13.0 References ---------- .. [1] Nicholas J. Higham and Francoise Tisseur (2000), "A Block Algorithm for Matrix 1-Norm Estimation, with an Application to 1-Norm Pseudospectra." SIAM J. Matrix Anal. Appl. Vol. 21, No. 4, pp. 1185-1201. .. [2] Awad H. Al-Mohy and Nicholas J. Higham (2009), "A new scaling and squaring algorithm for the matrix exponential." SIAM J. Matrix Anal. Appl. Vol. 31, No. 3, pp. 970-989. Examples -------- >>> from scipy.sparse import csc_matrix >>> from scipy.sparse.linalg import onenormest >>> A = csc_matrix([[1., 0., 0.], [5., 8., 2.], [0., -1., 0.]], dtype=float) >>> A.todense() matrix([[ 1., 0., 0.], [ 5., 8., 2.], [ 0., -1., 0.]]) >>> onenormest(A) 9.0 >>> np.linalg.norm(A.todense(), ord=1) 9.0 """ # Check the input. A = aslinearoperator(A) if A.shape[0] != A.shape[1]: raise ValueError('expected the operator to act like a square matrix') # If the operator size is small compared to t, # then it is easier to compute the exact norm. # Otherwise estimate the norm. n = A.shape[1] if t >= n: A_explicit = np.asarray(aslinearoperator(A).matmat(np.identity(n))) if A_explicit.shape != (n, n): raise Exception('internal error: ', 'unexpected shape ' + str(A_explicit.shape)) col_abs_sums = abs(A_explicit).sum(axis=0) if col_abs_sums.shape != (n, ): raise Exception('internal error: ', 'unexpected shape ' + str(col_abs_sums.shape)) argmax_j = np.argmax(col_abs_sums) v = elementary_vector(n, argmax_j) w = A_explicit[:, argmax_j] est = col_abs_sums[argmax_j] else: est, v, w, nmults, nresamples = _onenormest_core(A, A.H, t, itmax) # Report the norm estimate along with some certificates of the estimate. if compute_v or compute_w: result = (est,) if compute_v: result += (v,) if compute_w: result += (w,) return result else: return est def _blocked_elementwise(func): """ Decorator for an elementwise function, to apply it blockwise along first dimension, to avoid excessive memory usage in temporaries. """ block_size = 2**20 def wrapper(x): if x.shape[0] < block_size: return func(x) else: y0 = func(x[:block_size]) y = np.zeros((x.shape[0],) + y0.shape[1:], dtype=y0.dtype) y[:block_size] = y0 del y0 for j in range(block_size, x.shape[0], block_size): y[j:j+block_size] = func(x[j:j+block_size]) return y return wrapper @_blocked_elementwise def sign_round_up(X): """ This should do the right thing for both real and complex matrices. From Higham and Tisseur: "Everything in this section remains valid for complex matrices provided that sign(A) is redefined as the matrix (aij / |aij|) (and sign(0) = 1) transposes are replaced by conjugate transposes." """ Y = X.copy() Y[Y == 0] = 1 Y /= np.abs(Y) return Y @_blocked_elementwise def _max_abs_axis1(X): return np.max(np.abs(X), axis=1) def _sum_abs_axis0(X): block_size = 2**20 r = None for j in range(0, X.shape[0], block_size): y = np.sum(np.abs(X[j:j+block_size]), axis=0) if r is None: r = y else: r += y return r def elementary_vector(n, i): v = np.zeros(n, dtype=float) v[i] = 1 return v def vectors_are_parallel(v, w): # Columns are considered parallel when they are equal or negative. # Entries are required to be in {-1, 1}, # which guarantees that the magnitudes of the vectors are identical. if v.ndim != 1 or v.shape != w.shape: raise ValueError('expected conformant vectors with entries in {-1,1}') n = v.shape[0] return np.dot(v, w) == n def every_col_of_X_is_parallel_to_a_col_of_Y(X, Y): for v in X.T: if not any(vectors_are_parallel(v, w) for w in Y.T): return False return True def column_needs_resampling(i, X, Y=None): # column i of X needs resampling if either # it is parallel to a previous column of X or # it is parallel to a column of Y n, t = X.shape v = X[:, i] if any(vectors_are_parallel(v, X[:, j]) for j in range(i)): return True if Y is not None: if any(vectors_are_parallel(v, w) for w in Y.T): return True return False def resample_column(i, X): X[:, i] = np.random.randint(0, 2, size=X.shape[0])*2 - 1 def less_than_or_close(a, b): return np.allclose(a, b) or (a < b) def _algorithm_2_2(A, AT, t): """ This is Algorithm 2.2. Parameters ---------- A : ndarray or other linear operator A linear operator that can produce matrix products. AT : ndarray or other linear operator The transpose of A. t : int, optional A positive parameter controlling the tradeoff between accuracy versus time and memory usage. Returns ------- g : sequence A non-negative decreasing vector such that g[j] is a lower bound for the 1-norm of the column of A of jth largest 1-norm. The first entry of this vector is therefore a lower bound on the 1-norm of the linear operator A. This sequence has length t. ind : sequence The ith entry of ind is the index of the column A whose 1-norm is given by g[i]. This sequence of indices has length t, and its entries are chosen from range(n), possibly with repetition, where n is the order of the operator A. Notes ----- This algorithm is mainly for testing. It uses the 'ind' array in a way that is similar to its usage in algorithm 2.4. This algorithm 2.2 may be easier to test, so it gives a chance of uncovering bugs related to indexing which could have propagated less noticeably to algorithm 2.4. """ A_linear_operator = aslinearoperator(A) AT_linear_operator = aslinearoperator(AT) n = A_linear_operator.shape[0] # Initialize the X block with columns of unit 1-norm. X = np.ones((n, t)) if t > 1: X[:, 1:] = np.random.randint(0, 2, size=(n, t-1))*2 - 1 X /= float(n) # Iteratively improve the lower bounds. # Track extra things, to assert invariants for debugging. g_prev = None h_prev = None k = 1 ind = range(t) while True: Y = np.asarray(A_linear_operator.matmat(X)) g = _sum_abs_axis0(Y) best_j = np.argmax(g) g.sort() g = g[::-1] S = sign_round_up(Y) Z = np.asarray(AT_linear_operator.matmat(S)) h = _max_abs_axis1(Z) # If this algorithm runs for fewer than two iterations, # then its return values do not have the properties indicated # in the description of the algorithm. # In particular, the entries of g are not 1-norms of any # column of A until the second iteration. # Therefore we will require the algorithm to run for at least # two iterations, even though this requirement is not stated # in the description of the algorithm. if k >= 2: if less_than_or_close(max(h), np.dot(Z[:, best_j], X[:, best_j])): break ind = np.argsort(h)[::-1][:t] h = h[ind] for j in range(t): X[:, j] = elementary_vector(n, ind[j]) # Check invariant (2.2). if k >= 2: if not less_than_or_close(g_prev[0], h_prev[0]): raise Exception('invariant (2.2) is violated') if not less_than_or_close(h_prev[0], g[0]): raise Exception('invariant (2.2) is violated') # Check invariant (2.3). if k >= 3: for j in range(t): if not less_than_or_close(g[j], g_prev[j]): raise Exception('invariant (2.3) is violated') # Update for the next iteration. g_prev = g h_prev = h k += 1 # Return the lower bounds and the corresponding column indices. return g, ind def _onenormest_core(A, AT, t, itmax): """ Compute a lower bound of the 1-norm of a sparse matrix. Parameters ---------- A : ndarray or other linear operator A linear operator that can produce matrix products. AT : ndarray or other linear operator The transpose of A. t : int, optional A positive parameter controlling the tradeoff between accuracy versus time and memory usage. itmax : int, optional Use at most this many iterations. Returns ------- est : float An underestimate of the 1-norm of the sparse matrix. v : ndarray, optional The vector such that ||Av||_1 == est*||v||_1. It can be thought of as an input to the linear operator that gives an output with particularly large norm. w : ndarray, optional The vector Av which has relatively large 1-norm. It can be thought of as an output of the linear operator that is relatively large in norm compared to the input. nmults : int, optional The number of matrix products that were computed. nresamples : int, optional The number of times a parallel column was observed, necessitating a re-randomization of the column. Notes ----- This is algorithm 2.4. """ # This function is a more or less direct translation # of Algorithm 2.4 from the Higham and Tisseur (2000) paper. A_linear_operator = aslinearoperator(A) AT_linear_operator = aslinearoperator(AT) if itmax < 2: raise ValueError('at least two iterations are required') if t < 1: raise ValueError('at least one column is required') n = A.shape[0] if t >= n: raise ValueError('t should be smaller than the order of A') # Track the number of big*small matrix multiplications # and the number of resamplings. nmults = 0 nresamples = 0 # "We now explain our choice of starting matrix. We take the first # column of X to be the vector of 1s [...] This has the advantage that # for a matrix with nonnegative elements the algorithm converges # with an exact estimate on the second iteration, and such matrices # arise in applications [...]" X = np.ones((n, t), dtype=float) # "The remaining columns are chosen as rand{-1,1}, # with a check for and correction of parallel columns, # exactly as for S in the body of the algorithm." if t > 1: for i in range(1, t): # These are technically initial samples, not resamples, # so the resampling count is not incremented. resample_column(i, X) for i in range(t): while column_needs_resampling(i, X): resample_column(i, X) nresamples += 1 # "Choose starting matrix X with columns of unit 1-norm." X /= float(n) # "indices of used unit vectors e_j" ind_hist = np.zeros(0, dtype=np.intp) est_old = 0 S = np.zeros((n, t), dtype=float) k = 1 ind = None while True: Y = np.asarray(A_linear_operator.matmat(X)) nmults += 1 mags = _sum_abs_axis0(Y) est = np.max(mags) best_j = np.argmax(mags) if est > est_old or k == 2: if k >= 2: ind_best = ind[best_j] w = Y[:, best_j] # (1) if k >= 2 and est <= est_old: est = est_old break est_old = est S_old = S if k > itmax: break S = sign_round_up(Y) del Y # (2) if every_col_of_X_is_parallel_to_a_col_of_Y(S, S_old): break if t > 1: # "Ensure that no column of S is parallel to another column of S # or to a column of S_old by replacing columns of S by rand{-1,1}." for i in range(t): while column_needs_resampling(i, S, S_old): resample_column(i, S) nresamples += 1 del S_old # (3) Z = np.asarray(AT_linear_operator.matmat(S)) nmults += 1 h = _max_abs_axis1(Z) del Z # (4) if k >= 2 and max(h) == h[ind_best]: break # "Sort h so that h_first >= ... >= h_last # and re-order ind correspondingly." # # Later on, we will need at most t+len(ind_hist) largest # entries, so drop the rest ind = np.argsort(h)[::-1][:t+len(ind_hist)].copy() del h if t > 1: # (5) # Break if the most promising t vectors have been visited already. if np.in1d(ind[:t], ind_hist).all(): break # Put the most promising unvisited vectors at the front of the list # and put the visited vectors at the end of the list. # Preserve the order of the indices induced by the ordering of h. seen = np.in1d(ind, ind_hist) ind = np.concatenate((ind[~seen], ind[seen])) for j in range(t): X[:, j] = elementary_vector(n, ind[j]) new_ind = ind[:t][~np.in1d(ind[:t], ind_hist)] ind_hist = np.concatenate((ind_hist, new_ind)) k += 1 v = elementary_vector(n, ind_best) return est, v, w, nmults, nresamples