""" Linear algebra -------------- Linear equations ................ Basic linear algebra is implemented; you can for example solve the linear equation system:: x + 2*y = -10 3*x + 4*y = 10 using ``lu_solve``:: >>> A = matrix([[1, 2], [3, 4]]) >>> b = matrix([-10, 10]) >>> x = lu_solve(A, b) >>> x matrix( [['30.0'], ['-20.0']]) If you don't trust the result, use ``residual`` to calculate the residual ||A*x-b||:: >>> residual(A, x, b) matrix( [['3.46944695195361e-18'], ['3.46944695195361e-18']]) >>> str(eps) '2.22044604925031e-16' As you can see, the solution is quite accurate. The error is caused by the inaccuracy of the internal floating point arithmetic. Though, it's even smaller than the current machine epsilon, which basically means you can trust the result. If you need more speed, use NumPy. Or choose a faster data type using the keyword ``force_type``:: >>> lu_solve(A, b, force_type=float) matrix( [[29.999999999999996], [-19.999999999999996]]) ``lu_solve`` accepts overdetermined systems. It is usually not possible to solve such systems, so the residual is minimized instead. Internally this is done using Cholesky decomposition to compute a least squares approximation. This means that that ``lu_solve`` will square the errors. If you can't afford this, use ``qr_solve`` instead. It is twice as slow but more accurate, and it calculates the residual automatically. Matrix factorization .................... The function ``lu`` computes an explicit LU factorization of a matrix:: >>> P, L, U = lu(matrix([[0,2,3],[4,5,6],[7,8,9]])) >>> print P [0.0 0.0 1.0] [1.0 0.0 0.0] [0.0 1.0 0.0] >>> print L [ 1.0 0.0 0.0] [ 0.0 1.0 0.0] [0.571428571428571 0.214285714285714 1.0] >>> print U [7.0 8.0 9.0] [0.0 2.0 3.0] [0.0 0.0 0.214285714285714] >>> print P.T*L*U [0.0 2.0 3.0] [4.0 5.0 6.0] [7.0 8.0 9.0] Interval matrices ----------------- Matrices may contain interval elements. This allows one to perform basic linear algebra operations such as matrix multiplication and equation solving with rigorous error bounds:: >>> a = matrix([['0.1','0.3','1.0'], ... ['7.1','5.5','4.8'], ... ['3.2','4.4','5.6']], force_type=mpi) >>> >>> b = matrix(['4','0.6','0.5'], force_type=mpi) >>> c = lu_solve(a, b) >>> c matrix( [[[5.2582327113062393041, 5.2582327113062749951]], [[-13.155049396267856583, -13.155049396267821167]], [[7.4206915477497212555, 7.4206915477497310922]]]) >>> print a*c [ [3.9999999999999866773, 4.0000000000000133227]] [[0.59999999999972430942, 0.60000000000027142733]] [[0.49999999999982236432, 0.50000000000018474111]] """ # TODO: # *implement high-level qr() # *test unitvector # *iterative solving from __future__ import division from mptypes import extraprec, absmin, mp, eps, mpf, fsum from functions import sqrt, sign, log, factorial from matrices import matrix, eye, swap_row, extend, norm, mnorm from copy import copy def LU_decomp(A, overwrite=False, use_cache=True): """ LU-factorization of a n*n matrix using the Gauss algorithm. Returns L and U in one matrix and the pivot indices. Use overwrite to specify whether A will be overwritten with L and U. """ if not A.rows == A.cols: raise ValueError('need n*n matrix') # get from cache if possible if use_cache and isinstance(A, matrix) and A._LU: return A._LU if not overwrite: orig = A A = A.copy() tol = absmin(mnorm(A,1) * eps) # each pivot element has to be bigger n = A.rows p = [None]*(n - 1) for j in xrange(n - 1): # pivoting, choose max(abs(reciprocal row sum)*abs(pivot element)) biggest = 0 for k in xrange(j, n): s = fsum([absmin(A[k,l]) for l in xrange(j, n)]) if absmin(s) <= tol: raise ZeroDivisionError('matrix is numerically singular') current = 1/s * absmin(A[k,j]) if current > biggest: # TODO: what if equal? biggest = current p[j] = k # swap rows according to p swap_row(A, j, p[j]) if absmin(A[j,j]) <= tol: raise ZeroDivisionError('matrix is numerically singular') # calculate elimination factors and add rows for i in xrange(j + 1, n): A[i,j] /= A[j,j] for k in xrange(j + 1, n): A[i,k] -= A[i,j]*A[j,k] if absmin(A[n - 1,n - 1]) <= tol: raise ZeroDivisionError('matrix is numerically singular') # cache decomposition if not overwrite and isinstance(orig, matrix): orig._LU = (A, p) return A, p def L_solve(L, b, p=None): """ Solve the lower part of a LU factorized matrix for y. """ assert L.rows == L.cols, 'need n*n matrix' n = L.rows assert len(b) == n b = copy(b) if p: # swap b according to p for k in xrange(0, len(p)): swap_row(b, k, p[k]) # solve for i in xrange(1, n): for j in xrange(i): b[i] -= L[i,j] * b[j] return b def U_solve(U, y): """ Solve the upper part of a LU factorized matrix for x. """ assert U.rows == U.cols, 'need n*n matrix' n = U.rows assert len(y) == n x = copy(y) for i in xrange(n - 1, -1, -1): for j in xrange(i + 1, n): x[i] -= U[i,j] * x[j] x[i] /= U[i,i] return x @extraprec(10) def lu_solve(A, b, **kwargs): """ Ax = b => x Solve a determined or overdetermined linear equations system. Fast LU decomposition is used, which is less accurate than QR decomposition (especially for overdetermined systems), but it's twice as efficient. Use qr_solve if you want more precison or have to solve a very ill- conditioned system. """ # do not overwrite A nor b A, b = matrix(A, **kwargs).copy(), matrix(b, **kwargs).copy() if A.rows < A.cols: raise ValueError('cannot solve underdetermined system') if A.rows > A.cols: # use least-squares method if overdetermined # (this increases errors) AT = A.T A = AT * A b = AT * b return cholesky_solve(A, b) else: # LU factorization A, p = LU_decomp(A) b = L_solve(A, b, p) x = U_solve(A, b) return x def improve_solution(A, x, b, maxsteps=1): """ Improve a solution to a linear equation system iteratively. This re-uses the LU decomposition and is thus cheap. Usually 3 up to 4 iterations are giving the maximal improvement. """ assert A.rows == A.cols, 'need n*n matrix' # TODO: really? for _ in xrange(maxsteps): r = residual(A, x, b) if norm(r, 2) < 10*eps: break # this uses cached LU decomposition and is thus cheap dx = lu_solve(A, -r) x += dx return x def lu(A): """ A -> P, L, U LU factorisation of a square matrix A. L is the lower, U the upper part. P is the permutation matrix indicating the row swaps. P*A = L*U If you need efficiency, use the low-level method LU_decomp instead, it's much more memory efficient. """ # get factorization A, p = LU_decomp(A) n = A.rows L = matrix(n) U = matrix(n) for i in xrange(n): for j in xrange(n): if i > j: L[i,j] = A[i,j] elif i == j: L[i,j] = 1 U[i,j] = A[i,j] else: U[i,j] = A[i,j] # calculate permutation matrix P = eye(n) for k in xrange(len(p)): swap_row(P, k, p[k]) return P, L, U def unitvector(n, i): """ Return the i-th n-dimensional unit vector. """ assert 0 < i <= n, 'this unit vector does not exist' return [0]*(i-1) + [1] + [0]*(n-i) @extraprec(10) def inverse(A, **kwargs): """ Calculate the inverse of a matrix. If you want to solve an equation system Ax = b, it's recommended to use solve(A, b) instead, it's about 3 times more efficient. """ # do not overwrite A A = matrix(A, **kwargs).copy() n = A.rows # get LU factorisation A, p = LU_decomp(A) cols = [] # calculate unit vectors and solve corresponding system to get columns for i in xrange(1, n + 1): e = unitvector(n, i) y = L_solve(A, e, p) cols.append(U_solve(A, y)) # convert columns to matrix inv = [] for i in xrange(n): row = [] for j in xrange(n): row.append(cols[j][i]) inv.append(row) return matrix(inv, **kwargs) def householder(A): """ (A|b) -> H, p, x, res (A|b) is the coefficient matrix with left hand side of an optionally overdetermined linear equation system. H and p contain all information about the transformation matrices. x is the solution, res the residual. """ assert isinstance(A, matrix) m = A.rows n = A.cols assert m >= n - 1 # calculate Householder matrix p = [] for j in xrange(0, n - 1): s = fsum((A[i,j])**2 for i in xrange(j, m)) if not abs(s) > eps: raise ValueError('matrix is numerically singular') p.append(-sign(A[j,j]) * sqrt(s)) kappa = s - p[j] * A[j,j] A[j,j] -= p[j] for k in xrange(j+1, n): y = fsum(A[i,j] * A[i,k] for i in xrange(j, m)) / kappa for i in xrange(j, m): A[i,k] -= A[i,j] * y # solve Rx = c1 x = [A[i,n - 1] for i in xrange(n - 1)] for i in xrange(n - 2, -1, -1): x[i] -= fsum(A[i,j] * x[j] for j in xrange(i + 1, n - 1)) x[i] /= p[i] # calculate residual if not m == n - 1: r = [A[m-1-i, n-1] for i in xrange(m - n + 1)] else: # determined system, residual should be 0 r = [0]*m # maybe a bad idea, changing r[i] will change all elements return A, p, x, r #def qr(A): # """ # A -> Q, R # # QR factorisation of a square matrix A using Householder decomposition. # Q is orthogonal, this leads to very few numerical errors. # # A = Q*R # """ # H, p, x, res = householder(A) # TODO: implement this def residual(A, x, b, **kwargs): """ Calculate the residual of a solution to a linear equation system. r = A*x - b for A*x = b """ oldprec = mp.prec try: mp.prec *= 2 A, x, b = matrix(A, **kwargs), matrix(x, **kwargs), matrix(b, **kwargs) return A*x - b finally: mp.prec = oldprec @extraprec(10) def qr_solve(A, b, norm=norm, **kwargs): """ Ax = b => x, ||Ax - b|| Solve a determined or overdetermined linear equations system and calculate the norm of the residual (error). QR decompostion using Householder factorization is applied, which gives very accurate results even for ill-conditioned matrices. qr_solve is twice as efficient. """ # do not overwrite A nor b A, b = matrix(A, **kwargs).copy(), matrix(b, **kwargs).copy() if A.rows < A.cols: raise ValueError('cannot solve underdetermined system') H, p, x, r = householder(extend(A, b)) res = norm(r) # calculate residual "manually" for determined systems if res == 0: res = norm(residual(A, x, b)) return matrix(x, **kwargs), res def cholesky(A): """ Cholesky decompositon of a symmetric positive-definite matrix. Can be used to solve linear equation systems twice as efficient compared to LU decomposition or to test whether A is positive-definite. A = L * L.T Only L (the lower part) is returned. """ assert isinstance(A, matrix) if not A.rows == A.cols: raise ValueError('need n*n matrix') n = A.rows L = matrix(n) for j in xrange(n): s = A[j,j] - fsum(L[j,k]**2 for k in xrange(j)) if s < eps: raise ValueError('matrix not positive-definite') L[j,j] = sqrt(s) for i in xrange(j, n): L[i,j] = (A[i,j] - fsum(L[i,k] * L[j,k] for k in xrange(j))) \ / L[j,j] return L @extraprec(10) def cholesky_solve(A, b, **kwargs): """ Ax = b => x Solve a symmetric positive-definite linear equation system. This is twice as efficient as lu_solve. Typical use cases: * A.T*A * Hessian matrix * differential equations """ # do not overwrite A nor b A, b = matrix(A, **kwargs).copy(), matrix(b, **kwargs).copy() if A.rows != A.cols: raise ValueError('can only solve determined system') # Cholesky factorization L = cholesky(A) # solve n = L.rows assert len(b) == n for i in xrange(n): b[i] -= fsum(L[i,j] * b[j] for j in xrange(i)) b[i] /= L[i,i] x = U_solve(L.T, b) return x @extraprec(10) def det(A): """ Calculate the determinant of a matrix. """ # do not overwrite A A = matrix(A).copy() # use LU factorization to calculate determinant try: R, p = LU_decomp(A) except ZeroDivisionError: return 0 z = 1 for i, e in enumerate(p): if i != e: z *= -1 for i in xrange(A.rows): z *= R[i,i] return z def cond(A, norm=lambda x: mnorm(x,1)): """ Calculate the condition number of a matrix using a specified matrix norm. The condition number estimates the sensitivity of a matrix to errors. Example: small input errors for ill-conditionded coefficient matrices alter the solution of the system dramatically. For ill-conditioned matrices it's recommended to use qr_solve() instead of lu_solve(). This does not help with input errors however, it just avoids to add additional errors. Definition: cond(A) = ||A|| * ||A**-1|| """ return norm(A) * norm(inverse(A)) def lu_solve_mat(a, b): """Solve a * x = b where a and b are matrices.""" r = matrix(a.rows, b.cols) for i in range(b.cols): c = lu_solve(a, b.column(i)) for j in range(len(c)): r[j, i] = c[j] return r def exp_pade(a): """Exponential of a matrix using Pade approximants. See G. H. Golub, C. F. van Loan 'Matrix Computations', third Ed., page 572 TODO: - find a good estimate for q - reduce the number of matrix multiplications to improve performance """ def eps_pade(p): return mpf(2)**(3-2*p) * factorial(p)**2/(factorial(2*p)**2 * (2*p + 1)) q = 4 extraq = 8 while 1: if eps_pade(q) < eps: break q += 1 q += extraq j = max(1, int(log(mnorm(a,'inf'),2))) extra = q mp.dps += extra try: a = a/2**j na = a.rows den = eye(na) num = eye(na) x = eye(na) c = mpf(1) for k in range(1, q+1): c *= mpf(q - k + 1)/((2*q - k + 1) * k) x = a*x cx = c*x num += cx den += (-1)**k * cx f = lu_solve_mat(den, num) for k in range(j): f = f*f finally: mp.dps -= extra return f