| """ Collection of Model instances for use with the odrpack fitting package. |
| """ |
| import numpy as np |
| from scipy.odr._odrpack import Model |
|
|
| __all__ = ['Model', 'exponential', 'multilinear', 'unilinear', 'quadratic', |
| 'polynomial'] |
|
|
|
|
| def _lin_fcn(B, x): |
| a, b = B[0], B[1:] |
| b.shape = (b.shape[0], 1) |
|
|
| return a + (x*b).sum(axis=0) |
|
|
|
|
| def _lin_fjb(B, x): |
| a = np.ones(x.shape[-1], float) |
| res = np.concatenate((a, x.ravel())) |
| res.shape = (B.shape[-1], x.shape[-1]) |
| return res |
|
|
|
|
| def _lin_fjd(B, x): |
| b = B[1:] |
| b = np.repeat(b, (x.shape[-1],)*b.shape[-1], axis=0) |
| b.shape = x.shape |
| return b |
|
|
|
|
| def _lin_est(data): |
| |
| |
| |
|
|
| if len(data.x.shape) == 2: |
| m = data.x.shape[0] |
| else: |
| m = 1 |
|
|
| return np.ones((m + 1,), float) |
|
|
|
|
| def _poly_fcn(B, x, powers): |
| a, b = B[0], B[1:] |
| b.shape = (b.shape[0], 1) |
|
|
| return a + np.sum(b * np.power(x, powers), axis=0) |
|
|
|
|
| def _poly_fjacb(B, x, powers): |
| res = np.concatenate((np.ones(x.shape[-1], float), |
| np.power(x, powers).flat)) |
| res.shape = (B.shape[-1], x.shape[-1]) |
| return res |
|
|
|
|
| def _poly_fjacd(B, x, powers): |
| b = B[1:] |
| b.shape = (b.shape[0], 1) |
|
|
| b = b * powers |
|
|
| return np.sum(b * np.power(x, powers-1), axis=0) |
|
|
|
|
| def _exp_fcn(B, x): |
| return B[0] + np.exp(B[1] * x) |
|
|
|
|
| def _exp_fjd(B, x): |
| return B[1] * np.exp(B[1] * x) |
|
|
|
|
| def _exp_fjb(B, x): |
| res = np.concatenate((np.ones(x.shape[-1], float), x * np.exp(B[1] * x))) |
| res.shape = (2, x.shape[-1]) |
| return res |
|
|
|
|
| def _exp_est(data): |
| |
| return np.array([1., 1.]) |
|
|
|
|
| class _MultilinearModel(Model): |
| r""" |
| Arbitrary-dimensional linear model |
| |
| This model is defined by :math:`y=\beta_0 + \sum_{i=1}^m \beta_i x_i` |
| |
| Examples |
| -------- |
| We can calculate orthogonal distance regression with an arbitrary |
| dimensional linear model: |
| |
| >>> from scipy import odr |
| >>> import numpy as np |
| >>> x = np.linspace(0.0, 5.0) |
| >>> y = 10.0 + 5.0 * x |
| >>> data = odr.Data(x, y) |
| >>> odr_obj = odr.ODR(data, odr.multilinear) |
| >>> output = odr_obj.run() |
| >>> print(output.beta) |
| [10. 5.] |
| |
| """ |
|
|
| def __init__(self): |
| super().__init__( |
| _lin_fcn, fjacb=_lin_fjb, fjacd=_lin_fjd, estimate=_lin_est, |
| meta={'name': 'Arbitrary-dimensional Linear', |
| 'equ': 'y = B_0 + Sum[i=1..m, B_i * x_i]', |
| 'TeXequ': r'$y=\beta_0 + \sum_{i=1}^m \beta_i x_i$'}) |
|
|
|
|
| multilinear = _MultilinearModel() |
|
|
|
|
| def polynomial(order): |
| """ |
| Factory function for a general polynomial model. |
| |
| Parameters |
| ---------- |
| order : int or sequence |
| If an integer, it becomes the order of the polynomial to fit. If |
| a sequence of numbers, then these are the explicit powers in the |
| polynomial. |
| A constant term (power 0) is always included, so don't include 0. |
| Thus, polynomial(n) is equivalent to polynomial(range(1, n+1)). |
| |
| Returns |
| ------- |
| polynomial : Model instance |
| Model instance. |
| |
| Examples |
| -------- |
| We can fit an input data using orthogonal distance regression (ODR) with |
| a polynomial model: |
| |
| >>> import numpy as np |
| >>> import matplotlib.pyplot as plt |
| >>> from scipy import odr |
| >>> x = np.linspace(0.0, 5.0) |
| >>> y = np.sin(x) |
| >>> poly_model = odr.polynomial(3) # using third order polynomial model |
| >>> data = odr.Data(x, y) |
| >>> odr_obj = odr.ODR(data, poly_model) |
| >>> output = odr_obj.run() # running ODR fitting |
| >>> poly = np.poly1d(output.beta[::-1]) |
| >>> poly_y = poly(x) |
| >>> plt.plot(x, y, label="input data") |
| >>> plt.plot(x, poly_y, label="polynomial ODR") |
| >>> plt.legend() |
| >>> plt.show() |
| |
| """ |
|
|
| powers = np.asarray(order) |
| if powers.shape == (): |
| |
| powers = np.arange(1, powers + 1) |
|
|
| powers.shape = (len(powers), 1) |
| len_beta = len(powers) + 1 |
|
|
| def _poly_est(data, len_beta=len_beta): |
| |
| return np.ones((len_beta,), float) |
|
|
| return Model(_poly_fcn, fjacd=_poly_fjacd, fjacb=_poly_fjacb, |
| estimate=_poly_est, extra_args=(powers,), |
| meta={'name': 'Sorta-general Polynomial', |
| 'equ': 'y = B_0 + Sum[i=1..%s, B_i * (x**i)]' % (len_beta-1), |
| 'TeXequ': r'$y=\beta_0 + \sum_{i=1}^{%s} \beta_i x^i$' % |
| (len_beta-1)}) |
|
|
|
|
| class _ExponentialModel(Model): |
| r""" |
| Exponential model |
| |
| This model is defined by :math:`y=\beta_0 + e^{\beta_1 x}` |
| |
| Examples |
| -------- |
| We can calculate orthogonal distance regression with an exponential model: |
| |
| >>> from scipy import odr |
| >>> import numpy as np |
| >>> x = np.linspace(0.0, 5.0) |
| >>> y = -10.0 + np.exp(0.5*x) |
| >>> data = odr.Data(x, y) |
| >>> odr_obj = odr.ODR(data, odr.exponential) |
| >>> output = odr_obj.run() |
| >>> print(output.beta) |
| [-10. 0.5] |
| |
| """ |
|
|
| def __init__(self): |
| super().__init__(_exp_fcn, fjacd=_exp_fjd, fjacb=_exp_fjb, |
| estimate=_exp_est, |
| meta={'name': 'Exponential', |
| 'equ': 'y= B_0 + exp(B_1 * x)', |
| 'TeXequ': r'$y=\beta_0 + e^{\beta_1 x}$'}) |
|
|
|
|
| exponential = _ExponentialModel() |
|
|
|
|
| def _unilin(B, x): |
| return x*B[0] + B[1] |
|
|
|
|
| def _unilin_fjd(B, x): |
| return np.ones(x.shape, float) * B[0] |
|
|
|
|
| def _unilin_fjb(B, x): |
| _ret = np.concatenate((x, np.ones(x.shape, float))) |
| _ret.shape = (2,) + x.shape |
|
|
| return _ret |
|
|
|
|
| def _unilin_est(data): |
| return (1., 1.) |
|
|
|
|
| def _quadratic(B, x): |
| return x*(x*B[0] + B[1]) + B[2] |
|
|
|
|
| def _quad_fjd(B, x): |
| return 2*x*B[0] + B[1] |
|
|
|
|
| def _quad_fjb(B, x): |
| _ret = np.concatenate((x*x, x, np.ones(x.shape, float))) |
| _ret.shape = (3,) + x.shape |
|
|
| return _ret |
|
|
|
|
| def _quad_est(data): |
| return (1.,1.,1.) |
|
|
|
|
| class _UnilinearModel(Model): |
| r""" |
| Univariate linear model |
| |
| This model is defined by :math:`y = \beta_0 x + \beta_1` |
| |
| Examples |
| -------- |
| We can calculate orthogonal distance regression with an unilinear model: |
| |
| >>> from scipy import odr |
| >>> import numpy as np |
| >>> x = np.linspace(0.0, 5.0) |
| >>> y = 1.0 * x + 2.0 |
| >>> data = odr.Data(x, y) |
| >>> odr_obj = odr.ODR(data, odr.unilinear) |
| >>> output = odr_obj.run() |
| >>> print(output.beta) |
| [1. 2.] |
| |
| """ |
|
|
| def __init__(self): |
| super().__init__(_unilin, fjacd=_unilin_fjd, fjacb=_unilin_fjb, |
| estimate=_unilin_est, |
| meta={'name': 'Univariate Linear', |
| 'equ': 'y = B_0 * x + B_1', |
| 'TeXequ': '$y = \\beta_0 x + \\beta_1$'}) |
|
|
|
|
| unilinear = _UnilinearModel() |
|
|
|
|
| class _QuadraticModel(Model): |
| r""" |
| Quadratic model |
| |
| This model is defined by :math:`y = \beta_0 x^2 + \beta_1 x + \beta_2` |
| |
| Examples |
| -------- |
| We can calculate orthogonal distance regression with a quadratic model: |
| |
| >>> from scipy import odr |
| >>> import numpy as np |
| >>> x = np.linspace(0.0, 5.0) |
| >>> y = 1.0 * x ** 2 + 2.0 * x + 3.0 |
| >>> data = odr.Data(x, y) |
| >>> odr_obj = odr.ODR(data, odr.quadratic) |
| >>> output = odr_obj.run() |
| >>> print(output.beta) |
| [1. 2. 3.] |
| |
| """ |
|
|
| def __init__(self): |
| super().__init__( |
| _quadratic, fjacd=_quad_fjd, fjacb=_quad_fjb, estimate=_quad_est, |
| meta={'name': 'Quadratic', |
| 'equ': 'y = B_0*x**2 + B_1*x + B_2', |
| 'TeXequ': '$y = \\beta_0 x^2 + \\beta_1 x + \\beta_2'}) |
|
|
|
|
| quadratic = _QuadraticModel() |
|
|