| | import warnings |
| |
|
| | import numpy |
| | from numpy import linalg |
| |
|
| | import cupy |
| | from cupy._core import internal |
| | from cupy.cuda import device |
| | from cupy.linalg import _decomposition |
| | from cupy.linalg import _util |
| | import cupyx |
| |
|
| |
|
| | def solve(a, b): |
| | """Solves a linear matrix equation. |
| | |
| | It computes the exact solution of ``x`` in ``ax = b``, |
| | where ``a`` is a square and full rank matrix. |
| | |
| | Args: |
| | a (cupy.ndarray): The matrix with dimension ``(..., M, M)``. |
| | b (cupy.ndarray): The matrix with dimension ``(..., M)`` or |
| | ``(..., M, K)``. |
| | |
| | Returns: |
| | cupy.ndarray: |
| | The matrix with dimension ``(..., M)`` or ``(..., M, K)``. |
| | |
| | .. warning:: |
| | This function calls one or more cuSOLVER routine(s) which may yield |
| | invalid results if input conditions are not met. |
| | To detect these invalid results, you can set the `linalg` |
| | configuration to a value that is not `ignore` in |
| | :func:`cupyx.errstate` or :func:`cupyx.seterr`. |
| | |
| | .. seealso:: :func:`numpy.linalg.solve` |
| | """ |
| | from cupyx import lapack |
| | from cupy.cublas import batched_gesv, get_batched_gesv_limit |
| |
|
| | if a.ndim > 2 and a.shape[-1] <= get_batched_gesv_limit(): |
| | |
| | |
| | return batched_gesv(a, b) |
| |
|
| | |
| | _util._assert_cupy_array(a, b) |
| | _util._assert_stacked_2d(a) |
| | _util._assert_stacked_square(a) |
| |
|
| | |
| | if not ( |
| | (a.ndim == b.ndim or a.ndim == b.ndim + 1) |
| | and a.shape[:-1] == b.shape[:a.ndim - 1] |
| | ): |
| | raise ValueError( |
| | 'a must have (..., M, M) shape and b must have (..., M) ' |
| | 'or (..., M, K)') |
| |
|
| | dtype, out_dtype = _util.linalg_common_type(a, b) |
| | if b.size == 0: |
| | return cupy.empty(b.shape, out_dtype) |
| |
|
| | if a.ndim == 2: |
| | |
| | a = a.astype(dtype, copy=True, order='F') |
| | b = b.astype(dtype, copy=True, order='F') |
| | lapack.gesv(a, b) |
| | return b.astype(out_dtype, copy=False) |
| |
|
| | |
| | a = a.astype(dtype, copy=True, order='C') |
| | x = cupy.empty_like(b, dtype=out_dtype) |
| | shape = a.shape[:-2] |
| | for i in range(numpy.prod(shape)): |
| | index = numpy.unravel_index(i, shape) |
| | |
| | bi = b[index].astype(dtype, copy=True, order='F') |
| | lapack.gesv(a[index], bi) |
| | x[index] = bi |
| | return x |
| |
|
| |
|
| | def tensorsolve(a, b, axes=None): |
| | """Solves tensor equations denoted by ``ax = b``. |
| | |
| | Suppose that ``b`` is equivalent to ``cupy.tensordot(a, x)``. |
| | This function computes tensor ``x`` from ``a`` and ``b``. |
| | |
| | Args: |
| | a (cupy.ndarray): The tensor with ``len(shape) >= 1`` |
| | b (cupy.ndarray): The tensor with ``len(shape) >= 1`` |
| | axes (tuple of ints): Axes in ``a`` to reorder to the right |
| | before inversion. |
| | |
| | Returns: |
| | cupy.ndarray: |
| | The tensor with shape ``Q`` such that ``b.shape + Q == a.shape``. |
| | |
| | .. warning:: |
| | This function calls one or more cuSOLVER routine(s) which may yield |
| | invalid results if input conditions are not met. |
| | To detect these invalid results, you can set the `linalg` |
| | configuration to a value that is not `ignore` in |
| | :func:`cupyx.errstate` or :func:`cupyx.seterr`. |
| | |
| | .. seealso:: :func:`numpy.linalg.tensorsolve` |
| | """ |
| | if axes is not None: |
| | allaxes = list(range(a.ndim)) |
| | for k in axes: |
| | allaxes.remove(k) |
| | allaxes.insert(a.ndim, k) |
| | a = a.transpose(allaxes) |
| |
|
| | oldshape = a.shape[-(a.ndim - b.ndim):] |
| | prod = internal.prod(oldshape) |
| |
|
| | a = a.reshape(-1, prod) |
| | b = b.ravel() |
| | result = solve(a, b) |
| | return result.reshape(oldshape) |
| |
|
| |
|
| | def _nrm2_last_axis(x): |
| | real_dtype = x.dtype.char.lower() |
| | x = cupy.ascontiguousarray(x) |
| | return cupy.sum(cupy.square(x.view(real_dtype)), axis=-1) |
| |
|
| |
|
| | def lstsq(a, b, rcond='warn'): |
| | """Return the least-squares solution to a linear matrix equation. |
| | |
| | Solves the equation `a x = b` by computing a vector `x` that |
| | minimizes the Euclidean 2-norm `|| b - a x ||^2`. The equation may |
| | be under-, well-, or over- determined (i.e., the number of |
| | linearly independent rows of `a` can be less than, equal to, or |
| | greater than its number of linearly independent columns). If `a` |
| | is square and of full rank, then `x` (but for round-off error) is |
| | the "exact" solution of the equation. |
| | |
| | Args: |
| | a (cupy.ndarray): "Coefficient" matrix with dimension ``(M, N)`` |
| | b (cupy.ndarray): "Dependent variable" values with dimension ``(M,)`` |
| | or ``(M, K)`` |
| | rcond (float): Cutoff parameter for small singular values. |
| | For stability it computes the largest singular value denoted by |
| | ``s``, and sets all singular values smaller than ``s`` to zero. |
| | |
| | Returns: |
| | tuple: |
| | A tuple of ``(x, residuals, rank, s)``. Note ``x`` is the |
| | least-squares solution with shape ``(N,)`` or ``(N, K)`` depending |
| | if ``b`` was two-dimensional. The sums of ``residuals`` is the |
| | squared Euclidean 2-norm for each column in b - a*x. The |
| | ``residuals`` is an empty array if the rank of a is < N or M <= N, |
| | but iff b is 1-dimensional, this is a (1,) shape array, Otherwise |
| | the shape is (K,). The ``rank`` of matrix ``a`` is an integer. The |
| | singular values of ``a`` are ``s``. |
| | |
| | .. warning:: |
| | This function calls one or more cuSOLVER routine(s) which may yield |
| | invalid results if input conditions are not met. |
| | To detect these invalid results, you can set the `linalg` |
| | configuration to a value that is not `ignore` in |
| | :func:`cupyx.errstate` or :func:`cupyx.seterr`. |
| | |
| | .. seealso:: :func:`numpy.linalg.lstsq` |
| | """ |
| | if rcond == 'warn': |
| | warnings.warn( |
| | '`rcond` parameter will change to the default of ' |
| | 'machine precision times ``max(M, N)`` where M and N ' |
| | 'are the input matrix dimensions.\n' |
| | 'To use the future default and silence this warning ' |
| | 'we advise to pass `rcond=None`, to keep using the old, ' |
| | 'explicitly pass `rcond=-1`.', |
| | FutureWarning) |
| | rcond = -1 |
| |
|
| | _util._assert_cupy_array(a, b) |
| | _util._assert_2d(a) |
| | |
| | if b.ndim > 2: |
| | raise linalg.LinAlgError('{}-dimensional array given. Array must be at' |
| | ' most two-dimensional'.format(b.ndim)) |
| | m, n = a.shape[-2:] |
| | m2 = b.shape[0] |
| | if m != m2: |
| | raise linalg.LinAlgError('Incompatible dimensions') |
| |
|
| | u, s, vh = cupy.linalg.svd(a, full_matrices=False) |
| |
|
| | if rcond is None: |
| | rcond = numpy.finfo(s.dtype).eps * max(m, n) |
| | elif rcond <= 0 or rcond >= 1: |
| | |
| | rcond = numpy.finfo(s.dtype).eps |
| |
|
| | |
| | s1 = 1 / s |
| | rank = cupy.array(s.size, numpy.int32) |
| | if s.size > 0: |
| | cutoff = rcond * s.max() |
| | sing_vals = s <= cutoff |
| | s1[sing_vals] = 0 |
| | rank -= sing_vals.sum(dtype=numpy.int32) |
| |
|
| | |
| | |
| | z = (cupy.dot(b.T, u.conj()) * s1).T |
| | x = cupy.dot(vh.T.conj(), z) |
| | |
| | if m <= n or rank != n: |
| | resids = cupy.empty((0,), dtype=s.dtype) |
| | else: |
| | e = b - a.dot(x) |
| | resids = cupy.atleast_1d(_nrm2_last_axis(e.T)) |
| | return x, resids, rank, s |
| |
|
| |
|
| | def inv(a): |
| | """Computes the inverse of a matrix. |
| | |
| | This function computes matrix ``a_inv`` from n-dimensional regular matrix |
| | ``a`` such that ``dot(a, a_inv) == eye(n)``. |
| | |
| | Args: |
| | a (cupy.ndarray): The regular matrix |
| | |
| | Returns: |
| | cupy.ndarray: The inverse of a matrix. |
| | |
| | .. warning:: |
| | This function calls one or more cuSOLVER routine(s) which may yield |
| | invalid results if input conditions are not met. |
| | To detect these invalid results, you can set the `linalg` |
| | configuration to a value that is not `ignore` in |
| | :func:`cupyx.errstate` or :func:`cupyx.seterr`. |
| | |
| | .. seealso:: :func:`numpy.linalg.inv` |
| | """ |
| | _util._assert_cupy_array(a) |
| | _util._assert_stacked_2d(a) |
| | _util._assert_stacked_square(a) |
| |
|
| | if a.ndim >= 3: |
| | return _batched_inv(a) |
| |
|
| | dtype, out_dtype = _util.linalg_common_type(a) |
| | if a.size == 0: |
| | return cupy.empty(a.shape, out_dtype) |
| |
|
| | order = 'F' if a._f_contiguous else 'C' |
| | |
| | a = a.astype(dtype, copy=True, order=order) |
| | b = cupy.eye(a.shape[0], dtype=dtype, order=order) |
| | if order == 'F': |
| | cupyx.lapack.gesv(a, b) |
| | else: |
| | cupyx.lapack.gesv(a.T, b.T) |
| | return b.astype(out_dtype, copy=False) |
| |
|
| |
|
| | def _batched_inv(a): |
| | |
| | dtype, out_dtype = _util.linalg_common_type(a) |
| | if a.size == 0: |
| | return cupy.empty(a.shape, out_dtype) |
| |
|
| | if dtype == cupy.float32: |
| | getrf = cupy.cuda.cublas.sgetrfBatched |
| | getri = cupy.cuda.cublas.sgetriBatched |
| | elif dtype == cupy.float64: |
| | getrf = cupy.cuda.cublas.dgetrfBatched |
| | getri = cupy.cuda.cublas.dgetriBatched |
| | elif dtype == cupy.complex64: |
| | getrf = cupy.cuda.cublas.cgetrfBatched |
| | getri = cupy.cuda.cublas.cgetriBatched |
| | elif dtype == cupy.complex128: |
| | getrf = cupy.cuda.cublas.zgetrfBatched |
| | getri = cupy.cuda.cublas.zgetriBatched |
| | else: |
| | msg = ('dtype must be float32, float64, complex64 or complex128' |
| | ' (actual: {})'.format(a.dtype)) |
| | raise ValueError(msg) |
| |
|
| | if 0 in a.shape: |
| | return cupy.empty_like(a, dtype=out_dtype) |
| | a_shape = a.shape |
| |
|
| | |
| | a = a.astype(dtype, order='C').reshape(-1, a_shape[-2], a_shape[-1]) |
| |
|
| | handle = device.get_cublas_handle() |
| | batch_size = a.shape[0] |
| | n = a.shape[1] |
| | lda = n |
| | step = n * lda * a.itemsize |
| | start = a.data.ptr |
| | stop = start + step * batch_size |
| | a_array = cupy.arange(start, stop, step, dtype=cupy.uintp) |
| | pivot_array = cupy.empty((batch_size, n), dtype=cupy.int32) |
| | info_array = cupy.empty((batch_size,), dtype=cupy.int32) |
| |
|
| | getrf(handle, n, a_array.data.ptr, lda, pivot_array.data.ptr, |
| | info_array.data.ptr, batch_size) |
| | cupy.linalg._util._check_cublas_info_array_if_synchronization_allowed( |
| | getrf, info_array) |
| |
|
| | c = cupy.empty_like(a) |
| | ldc = lda |
| | step = n * ldc * c.itemsize |
| | start = c.data.ptr |
| | stop = start + step * batch_size |
| | c_array = cupy.arange(start, stop, step, dtype=cupy.uintp) |
| |
|
| | getri(handle, n, a_array.data.ptr, lda, pivot_array.data.ptr, |
| | c_array.data.ptr, ldc, info_array.data.ptr, batch_size) |
| | cupy.linalg._util._check_cublas_info_array_if_synchronization_allowed( |
| | getri, info_array) |
| |
|
| | return c.reshape(a_shape).astype(out_dtype, copy=False) |
| |
|
| |
|
| | |
| | def pinv(a, rcond=1e-15): |
| | """Compute the Moore-Penrose pseudoinverse of a matrix. |
| | |
| | It computes a pseudoinverse of a matrix ``a``, which is a generalization |
| | of the inverse matrix with Singular Value Decomposition (SVD). |
| | Note that it automatically removes small singular values for stability. |
| | |
| | Args: |
| | a (cupy.ndarray): The matrix with dimension ``(..., M, N)`` |
| | rcond (float or cupy.ndarray): Cutoff parameter for small singular |
| | values. For stability it computes the largest singular value |
| | denoted by ``s``, and sets all singular values smaller than |
| | ``rcond * s`` to zero. Broadcasts against the stack of matrices. |
| | |
| | Returns: |
| | cupy.ndarray: The pseudoinverse of ``a`` with dimension |
| | ``(..., N, M)``. |
| | |
| | .. warning:: |
| | This function calls one or more cuSOLVER routine(s) which may yield |
| | invalid results if input conditions are not met. |
| | To detect these invalid results, you can set the `linalg` |
| | configuration to a value that is not `ignore` in |
| | :func:`cupyx.errstate` or :func:`cupyx.seterr`. |
| | |
| | .. seealso:: :func:`numpy.linalg.pinv` |
| | """ |
| | _util._assert_cupy_array(a) |
| | if a.size == 0: |
| | _, out_dtype = _util.linalg_common_type(a) |
| | m, n = a.shape[-2:] |
| | if m == 0 or n == 0: |
| | out_dtype = a.dtype |
| | return cupy.empty(a.shape[:-2] + (n, m), dtype=out_dtype) |
| |
|
| | u, s, vt = _decomposition.svd(a.conj(), full_matrices=False) |
| |
|
| | |
| | cutoff = rcond * cupy.amax(s, axis=-1) |
| | leq = s <= cutoff[..., None] |
| | cupy.reciprocal(s, out=s) |
| | s[leq] = 0 |
| |
|
| | return cupy.matmul(vt.swapaxes(-2, -1), s[..., None] * u.swapaxes(-2, -1)) |
| |
|
| |
|
| | def tensorinv(a, ind=2): |
| | """Computes the inverse of a tensor. |
| | |
| | This function computes tensor ``a_inv`` from tensor ``a`` such that |
| | ``tensordot(a_inv, a, ind) == I``, where ``I`` denotes the identity tensor. |
| | |
| | Args: |
| | a (cupy.ndarray): |
| | The tensor such that |
| | ``prod(a.shape[:ind]) == prod(a.shape[ind:])``. |
| | ind (int): |
| | The positive number used in ``axes`` option of ``tensordot``. |
| | |
| | Returns: |
| | cupy.ndarray: |
| | The inverse of a tensor whose shape is equivalent to |
| | ``a.shape[ind:] + a.shape[:ind]``. |
| | |
| | .. warning:: |
| | This function calls one or more cuSOLVER routine(s) which may yield |
| | invalid results if input conditions are not met. |
| | To detect these invalid results, you can set the `linalg` |
| | configuration to a value that is not `ignore` in |
| | :func:`cupyx.errstate` or :func:`cupyx.seterr`. |
| | |
| | .. seealso:: :func:`numpy.linalg.tensorinv` |
| | """ |
| | _util._assert_cupy_array(a) |
| |
|
| | if ind <= 0: |
| | raise ValueError('Invalid ind argument') |
| | oldshape = a.shape |
| | invshape = oldshape[ind:] + oldshape[:ind] |
| | prod = internal.prod(oldshape[ind:]) |
| | a = a.reshape(prod, -1) |
| | a_inv = inv(a) |
| | return a_inv.reshape(*invshape) |
| |
|