export module linalgebra:qr; import std; import :error; import :vector; import :matrix; export namespace linalgebra { struct QRResult { Matrix Q; Matrix R; }; // Classical Gram-Schmidt. // Mathematically natural but numerically fragile: orthogonality of Q // degrades rapidly on ill-conditioned inputs. // Provided for comparison — prefer modified_gs or householder in practice. // // Throws DimensionMismatchError if rows < cols. // Throws SingularMatrixError if a column is (nearly) linearly dependent. QRResult qr_classical_gs(const Matrix& A, double zero_tolerance = 1e-14); // Modified Gram-Schmidt. // Subtracts each projection immediately on the running vector rather than // on the original column. Algebraically equivalent to classical GS but // numerically much better — round-off stays local instead of accumulating. // // Same exceptions as classical GS. QRResult qr_modified_gs(const Matrix& A, double zero_tolerance = 1e-14); // Householder QR. // Applies a sequence of orthogonal reflections to zero out below-diagonal // entries column by column. Backward-stable and the standard choice for // dense QR. Works correctly on rank-deficient matrices (zero pivots // produce zero diagonal entries in R without throwing). // // Throws DimensionMismatchError if rows < cols. QRResult qr_householder(const Matrix& A); } // namespace linalgebra namespace { void require_tall(const linalgebra::Matrix& A, const char* name) { if (A.rows() < A.cols()) { std::ostringstream oss; oss << name << " requires rows >= cols, got " << A.rows() << "x" << A.cols(); throw linalgebra::DimensionMismatchError(oss.str()); } } double col_norm(const linalgebra::Matrix& M, std::size_t j) { double s = 0.0; for (std::size_t i = 0; i < M.rows(); ++i) { s += M(i, j) * M(i, j); } return std::sqrt(s); } double col_dot(const linalgebra::Matrix& M, std::size_t j, const linalgebra::Matrix& N, std::size_t k) { double s = 0.0; for (std::size_t i = 0; i < M.rows(); ++i) { s += M(i, j) * N(i, k); } return s; } } // namespace namespace linalgebra { QRResult qr_classical_gs(const Matrix& A, double zero_tolerance) { require_tall(A, "qr_classical_gs"); const std::size_t m = A.rows(); const std::size_t n = A.cols(); Matrix Q = Matrix::zeros(m, n); Matrix R = Matrix::zeros(n, n); for (std::size_t j = 0; j < n; ++j) { for (std::size_t i = 0; i < m; ++i) Q(i, j) = A(i, j); for (std::size_t k = 0; k < j; ++k) { R(k, j) = col_dot(A, j, Q, k); for (std::size_t i = 0; i < m; ++i) { Q(i, j) -= R(k, j) * Q(i, k); } } const double norm = col_norm(Q, j); if (norm <= zero_tolerance) { std::ostringstream oss; oss << "qr_classical_gs: column " << j << " is (nearly) linearly dependent (norm = " << norm << ")"; throw SingularMatrixError(oss.str()); } R(j, j) = norm; for (std::size_t i = 0; i < m; ++i) Q(i, j) /= norm; } return QRResult{std::move(Q), std::move(R)}; } QRResult qr_modified_gs(const Matrix& A, double zero_tolerance) { require_tall(A, "qr_modified_gs"); const std::size_t m = A.rows(); const std::size_t n = A.cols(); Matrix Q = Matrix::zeros(m, n); Matrix R = Matrix::zeros(n, n); for (std::size_t j = 0; j < n; ++j) { for (std::size_t i = 0; i < m; ++i) Q(i, j) = A(i, j); for (std::size_t k = 0; k < j; ++k) { R(k, j) = col_dot(Q, j, Q, k); for (std::size_t i = 0; i < m; ++i) { Q(i, j) -= R(k, j) * Q(i, k); } } const double norm = col_norm(Q, j); if (norm <= zero_tolerance) { std::ostringstream oss; oss << "qr_modified_gs: column " << j << " is (nearly) linearly dependent (norm = " << norm << ")"; throw SingularMatrixError(oss.str()); } R(j, j) = norm; for (std::size_t i = 0; i < m; ++i) Q(i, j) /= norm; } return QRResult{std::move(Q), std::move(R)}; } QRResult qr_householder(const Matrix& A) { require_tall(A, "qr_householder"); const std::size_t m = A.rows(); const std::size_t n = A.cols(); Matrix work = A; Matrix Q_full = Matrix::identity(m); for (std::size_t k = 0; k < n; ++k) { const std::size_t p = m - k; std::vector u(p); for (std::size_t i = 0; i < p; ++i) u[i] = work(k + i, k); const double x_norm = [&] { double s = 0.0; for (double v : u) s += v * v; return std::sqrt(s); }(); if (x_norm == 0.0) continue; const double sigma = (u[0] >= 0.0 ? 1.0 : -1.0) * x_norm; u[0] += sigma; const double utu = [&] { double s = 0.0; for (double v : u) s += v * v; return s; }(); const double tau = 2.0 / utu; for (std::size_t j = k; j < n; ++j) { double d = 0.0; for (std::size_t i = 0; i < p; ++i) d += u[i] * work(k + i, j); const double coeff = tau * d; for (std::size_t i = 0; i < p; ++i) work(k + i, j) -= coeff * u[i]; } for (std::size_t j = 0; j < m; ++j) { double d = 0.0; for (std::size_t i = 0; i < p; ++i) d += u[i] * Q_full(k + i, j); const double coeff = tau * d; for (std::size_t i = 0; i < p; ++i) Q_full(k + i, j) -= coeff * u[i]; } } Matrix Q(m, n); for (std::size_t i = 0; i < m; ++i) for (std::size_t j = 0; j < n; ++j) Q(i, j) = Q_full(j, i); Matrix R(n, n); for (std::size_t i = 0; i < n; ++i) for (std::size_t j = 0; j < n; ++j) R(i, j) = work(i, j); return QRResult{std::move(Q), std::move(R)}; } } // namespace linalgebra