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@ -57,9 +57,172 @@ def sphere_volume(d, r=1.0):
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'Kernel smoothing'
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Chapman and Hall, pp 105
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"""
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return (r ** d) * 2. * pi ** (d / 2.) / (d * gamma(d / 2.))
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return (r ** d) * 2.0 * pi ** (d / 2.0) / (d * gamma(d / 2.0))
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class TKDE(object):
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class _KDE(object):
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""" Kernel-Density Estimator base class.
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Parameters
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----------
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data : (# of dims, # of data)-array
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datapoints to estimate from
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hs : array-like (optional)
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smooting parameter vector/matrix.
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(default compute from data using kernel.get_smoothing function)
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kernel : kernel function object.
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kernel must have get_smoothing method
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alpha : real scalar (optional)
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sensitivity parameter (default 0 regular KDE)
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A good choice might be alpha = 0.5 ( or 1/D)
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alpha = 0 Regular KDE (hs is constant)
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0 < alpha <= 1 Adaptive KDE (Make hs change)
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Members
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-------
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d : int
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number of dimensions
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n : int
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number of datapoints
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Methods
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-------
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kde.eval_grid_fast(x0, x1,..., xd) : array
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evaluate the estimated pdf on meshgrid(x0, x1,..., xd)
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kde.eval_grid(x0, x1,..., xd) : array
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evaluate the estimated pdf on meshgrid(x0, x1,..., xd)
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kde.eval_points(points) : array
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evaluate the estimated pdf on a provided set of points
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kde(x0, x1,..., xd) : array
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same as kde.eval_grid(x0, x1,..., xd)
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"""
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def __init__(self, data, hs=None, kernel=None, alpha=0.0, xmin=None, xmax=None, inc=128):
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self.dataset = atleast_2d(data)
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self.hs = hs
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self.kernel = kernel if kernel else Kernel('gauss')
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self.alpha = alpha
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self.xmin = xmin
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self.xmax = xmax
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self.inc = inc
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self.initialize()
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def initialize(self):
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self.d, self.n = self.dataset.shape
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self._set_xlimits()
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self._initialize()
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def _initialize(self):
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pass
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def _set_xlimits(self):
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amin = self.dataset.min(axis= -1)
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amax = self.dataset.max(axis= -1)
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iqr = iqrange(self.dataset, axis=-1)
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sigma = np.minimum(np.std(self.dataset, axis=-1, ddof=1),iqr/1.34)
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#xyzrange = amax - amin
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#offset = xyzrange / 4.0
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offset = 2*sigma
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if self.xmin is None:
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self.xmin = amin - offset
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else:
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self.xmin = self.xmin * np.ones(self.d)
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if self.xmax is None:
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self.xmax = amax + offset
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else:
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self.xmax = self.xmax * np.ones(self.d)
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def eval_grid_fast(self, *args):
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"""Evaluate the estimated pdf on a grid.
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Parameters
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----------
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arg_0,arg_1,... arg_d-1 : vectors
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Alternatively, if no vectors is passed in then
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arg_i = linspace(self.xmin[i], self.xmax[i], self.inc)
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Returns
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-------
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values : array-like
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The values evaluated at meshgrid(*args).
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"""
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if len(args) == 0:
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args = []
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for i in range(self.d):
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args.append(np.linspace(self.xmin[i], self.xmax[i], self.inc))
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self.args = args
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return self._eval_grid_fast(*args)
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def _eval_grid_fast(self, *args):
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pass
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def eval_grid(self, *args):
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"""Evaluate the estimated pdf on a grid.
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Parameters
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----------
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arg_0,arg_1,... arg_d-1 : vectors
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Alternatively, if no vectors is passed in then
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arg_i = linspace(self.xmin[i], self.xmax[i], self.inc)
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Returns
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-------
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values : array-like
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The values evaluated at meshgrid(*args).
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"""
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if len(args) == 0:
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args = []
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for i in range(self.d):
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args.append(np.linspace(self.xmin[i], self.xmax[i], self.inc))
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self.args = args
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return self._eval_grid(*args)
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def _eval_grid(self, *args):
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pass
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def _check_shape(self, points):
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points = atleast_2d(points)
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d, m = points.shape
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if d != self.d:
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if d == 1 and m == self.d:
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# points was passed in as a row vector
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points = np.reshape(points, (self.d, 1))
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else:
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msg = "points have dimension %s, dataset has dimension %s" % (d,
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self.d)
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raise ValueError(msg)
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return points
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def eval_points(self, points):
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"""Evaluate the estimated pdf on a set of points.
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Parameters
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----------
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points : (# of dimensions, # of points)-array
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Alternatively, a (# of dimensions,) vector can be passed in and
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treated as a single point.
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Returns
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-------
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values : (# of points,)-array
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The values at each point.
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Raises
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------
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ValueError if the dimensionality of the input points is different than
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the dimensionality of the KDE.
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"""
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points = self._check_shape(points)
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return self._eval_points(points)
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def _eval_points(self, points):
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pass
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__call__ = eval_grid
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class TKDE(_KDE):
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""" Transformation Kernel-Density Estimator.
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Parameters
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@ -76,6 +239,17 @@ class TKDE(object):
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A good choice might be alpha = 0.5 ( or 1/D)
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alpha = 0 Regular KDE (hs is constant)
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0 < alpha <= 1 Adaptive KDE (Make hs change)
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xmin, xmax : vectors
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specifying the default argument range for the kde.eval_grid methods.
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For the kde.eval_grid_fast methods the values must cover the range of the data.
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(default min(data)-range(data)/4, max(data)-range(data)/4)
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If a single value of xmin or xmax is given then the boundary is the is
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the same for all dimensions.
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inc : scalar integer
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defining the default dimension of the output from kde.eval_grid methods (default 128)
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(For kde.eval_grid_fast: A value below 50 is very fast to compute but
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may give some inaccuracies. Values between 100 and 500 give very
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accurate results)
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L2 : array-like
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vector of transformation parameters (default 1 no transformation)
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t(xi;L2) = xi^L2*sign(L2) for L2(i) ~= 0
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@ -91,10 +265,14 @@ class TKDE(object):
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Methods
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-------
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kde.evaluate(points) : array
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kde.eval_grid_fast(x0, x1,..., xd) : array
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evaluate the estimated pdf on meshgrid(x0, x1,..., xd)
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kde.eval_grid(x0, x1,..., xd) : array
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evaluate the estimated pdf on meshgrid(x0, x1,..., xd)
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kde.eval_points(points) : array
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evaluate the estimated pdf on a provided set of points
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kde(points) : array
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same as kde.evaluate(points)
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kde(x0, x1,..., xd) : array
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same as kde.eval_grid(x0, x1,..., xd)
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Example
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@ -119,8 +297,8 @@ class TKDE(object):
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0.20717946, 0.15907684, 0.1201074 , 0.08941027, 0.06574882])
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>>> kde.eval_grid_fast(x)
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array([ 0. , 0.4614821 , 0.39554839, 0.32764086, 0.26275681,
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0.20543731, 0.15741056, 0.11863464, 0. , 0. ])
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array([ 1.06437223, 0.46203314, 0.39593137, 0.32781899, 0.26276433,
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0.20532206, 0.15723498, 0.11843998, 0.08797755, 0. ])
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import pylab as plb
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h1 = plb.plot(x, f) # 1D probability density plot
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@ -129,19 +307,11 @@ class TKDE(object):
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def __init__(self, data, hs=None, kernel=None, alpha=0.0, xmin=None,
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xmax=None, inc=128, L2=None):
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self.dataset = atleast_2d(data)
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self.hs = hs
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self.kernel = kernel if kernel else Kernel('gauss')
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self.alpha = alpha
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self.xmin = xmin
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self.xmax = xmax
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self.inc = inc
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self.L2 = L2
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self.d, self.n = self.dataset.shape
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self.initialize()
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_KDE.__init__(self, data, hs, kernel, alpha, xmin, xmax, inc)
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def initialize(self):
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self._set_xlimits()
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def _initialize(self):
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self._check_xmin()
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tdataset = self._dat2gaus(self.dataset)
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xmin = self.xmin
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if xmin is not None:
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@ -151,38 +321,11 @@ class TKDE(object):
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xmax = self._dat2gaus(xmax)
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self.tkde = KDE(tdataset, self.hs, self.kernel, self.alpha, xmin, xmax,
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self.inc)
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def _set_xlimits(self):
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amin = self.dataset.min(axis=-1)
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amax = self.dataset.max(axis=-1)
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xyzrange = amax-amin
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offset = xyzrange/4.0
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if self.xmin is None:
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self.xmin = amin - offset
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else:
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self.xmin = self.xmin * np.ones(self.d)
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if self.xmax is None:
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self.xmax = amax + offset
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else:
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self.xmax = self.xmax * np.ones(self.d)
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def _check_xmin(self):
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if self.L2 is not None:
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amin = self.dataset.min(axis= -1)
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L2 = np.atleast_1d(self.L2) * np.ones(self.d) # default no transformation
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self.xmin = np.where(L2!=1, np.maximum(self.xmin, amin/2.0), self.xmin)
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def _check_shape(self, points):
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points = atleast_2d(points)
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d, m = points.shape
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if d != self.d:
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if d == 1 and m == self.d:
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# points was passed in as a row vector
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points = np.reshape(points, (self.d, 1))
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m = 1
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else:
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msg = "points have dimension %s, dataset has dimension %s" % (d,
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self.d)
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raise ValueError(msg)
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return points
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self.xmin = np.where(L2 != 1, np.maximum(self.xmin, amin / 100.0), self.xmin)
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def _dat2gaus(self, points):
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if self.L2 is None:
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@ -203,7 +346,7 @@ class TKDE(object):
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points = copy.copy(tpoints)
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for i, v2 in enumerate(L2.tolist()):
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points[i] = np.exp(tpoints[i]) if v2 == 0 else tpoints[i] ** (1.0/v2)
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points[i] = np.exp(tpoints[i]) if v2 == 0 else tpoints[i] ** (1.0 / v2)
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return points
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def _scale_pdf(self, pdf, points):
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@ -211,29 +354,32 @@ class TKDE(object):
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return pdf
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L2 = np.atleast_1d(self.L2) * np.ones(self.d) # default no transformation
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for i, v2 in enumerate(L2.tolist()):
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factor = v2 * np.sign(v2) if v2 else 1
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factor = v2 * np.sign(v2) if v2 else 1
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pdf *= np.where(v2 == 1, 1, points[i] ** (v2 - 1) * factor)
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if (np.abs(np.diff(pdf)).max() > 10).any():
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msg = ''' Numerical problems may have occured due to the power
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transformation. Check the KDE for spurious spikes'''
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warnings.warn(msg)
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return pdf
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def eval_grid_fast(self, *args):
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def eval_grid_fast2(self, *args):
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"""Evaluate the estimated pdf on a grid.
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Parameters
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----------
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arg_0,arg_1,... arg_d-1 : vectors
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Alternatively, if no vectors is passed in then
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arg_i = linspace(self.xmin[i], self.xmax[i], self.inc)
|
|
|
|
|
Alternatively, if no vectors is passed in then
|
|
|
|
|
arg_i = gauss2dat(linspace(dat2gauss(self.xmin[i]), dat2gauss(self.xmax[i]), self.inc))
|
|
|
|
|
|
|
|
|
|
Returns
|
|
|
|
|
-------
|
|
|
|
|
values : array-like
|
|
|
|
|
The values evaluated at meshgrid(*args).
|
|
|
|
|
The values evaluated at meshgrid(*args).
|
|
|
|
|
|
|
|
|
|
"""
|
|
|
|
|
return self._eval_grid_fast(*args)
|
|
|
|
|
|
|
|
|
|
def _eval_grid_fast(self, *args):
|
|
|
|
|
if self.L2 is None:
|
|
|
|
|
f = self.tkde.eval_grid_fast(*args)
|
|
|
|
|
self.args = self.tkde.args
|
|
|
|
@ -241,48 +387,28 @@ class TKDE(object):
|
|
|
|
|
#targs = self._dat2gaus(list(args)) if len(args) else args
|
|
|
|
|
tf = self.tkde.eval_grid_fast()
|
|
|
|
|
self.args = self._gaus2dat(list(self.tkde.args))
|
|
|
|
|
points = meshgrid(*self.args) if self.d>1 else self.args
|
|
|
|
|
points = meshgrid(*self.args) if self.d > 1 else self.args
|
|
|
|
|
f = self._scale_pdf(tf, points)
|
|
|
|
|
if len(args):
|
|
|
|
|
if self.d==1:
|
|
|
|
|
pdf = interpolate.interp1d(points[0],f, bounds_error=False, fill_value=0.0)
|
|
|
|
|
elif self.d==2:
|
|
|
|
|
pdf = interpolate.interp2d(points[0],points[1], f, bounds_error=False, fill_value=0.0)
|
|
|
|
|
if self.d == 1:
|
|
|
|
|
pdf = interpolate.interp1d(points[0], f, bounds_error=False, fill_value=0.0)
|
|
|
|
|
elif self.d == 2:
|
|
|
|
|
pdf = interpolate.interp2d(points[0], points[1], f, bounds_error=False, fill_value=0.0)
|
|
|
|
|
#ipoints = meshgrid(*args) if self.d>1 else args
|
|
|
|
|
fi = pdf(*args)
|
|
|
|
|
#fi.shape = ipoints[0].shape
|
|
|
|
|
return fi
|
|
|
|
|
return f
|
|
|
|
|
def eval_grid(self, *args):
|
|
|
|
|
"""Evaluate the estimated pdf on a grid.
|
|
|
|
|
|
|
|
|
|
Parameters
|
|
|
|
|
----------
|
|
|
|
|
arg_0,arg_1,... arg_d-1 : vectors
|
|
|
|
|
Alternatively, if no vectors is passed in then
|
|
|
|
|
arg_i = linspace(self.xmin[i], self.xmax[i], self.inc)
|
|
|
|
|
|
|
|
|
|
Returns
|
|
|
|
|
-------
|
|
|
|
|
values : array-like
|
|
|
|
|
The values evaluated at meshgrid(*args).
|
|
|
|
|
|
|
|
|
|
"""
|
|
|
|
|
if len(args)==0:
|
|
|
|
|
args = []
|
|
|
|
|
for i in range(self.d):
|
|
|
|
|
args.append(np.linspace(self.xmin[i], self.xmax[i], self.inc))
|
|
|
|
|
self.args = args
|
|
|
|
|
def _eval_grid(self, *args):
|
|
|
|
|
if self.L2 is None:
|
|
|
|
|
return self.tkde.eval_grid(*args)
|
|
|
|
|
targs = self._dat2gaus(list(args))
|
|
|
|
|
tf = self.tkde.eval_grid(*targs)
|
|
|
|
|
points = meshgrid(*args) if self.d>1 else self.args
|
|
|
|
|
points = meshgrid(*args) if self.d > 1 else self.args
|
|
|
|
|
f = self._scale_pdf(tf, points)
|
|
|
|
|
return f
|
|
|
|
|
|
|
|
|
|
return self.tkde.eval_grid(*args)
|
|
|
|
|
def evaluate(self, points):
|
|
|
|
|
def _eval_points(self, points):
|
|
|
|
|
"""Evaluate the estimated pdf on a set of points.
|
|
|
|
|
|
|
|
|
|
Parameters
|
|
|
|
@ -302,16 +428,14 @@ class TKDE(object):
|
|
|
|
|
the dimensionality of the KDE.
|
|
|
|
|
"""
|
|
|
|
|
if self.L2 is None:
|
|
|
|
|
return self.tkde(points)
|
|
|
|
|
points = self._check_shape(points)
|
|
|
|
|
return self.tkde.eval_points(points)
|
|
|
|
|
|
|
|
|
|
tpoints = self._dat2gaus(points)
|
|
|
|
|
tf = self.tkde(tpoints)
|
|
|
|
|
tf = self.tkde.eval_points(tpoints)
|
|
|
|
|
f = self._scale_pdf(tf, points)
|
|
|
|
|
return f
|
|
|
|
|
|
|
|
|
|
__call__ = evaluate
|
|
|
|
|
|
|
|
|
|
class KDE(object):
|
|
|
|
|
class KDE(_KDE):
|
|
|
|
|
""" Kernel-Density Estimator.
|
|
|
|
|
|
|
|
|
|
Parameters
|
|
|
|
@ -328,7 +452,17 @@ class KDE(object):
|
|
|
|
|
A good choice might be alpha = 0.5 ( or 1/D)
|
|
|
|
|
alpha = 0 Regular KDE (hs is constant)
|
|
|
|
|
0 < alpha <= 1 Adaptive KDE (Make hs change)
|
|
|
|
|
|
|
|
|
|
xmin, xmax : vectors
|
|
|
|
|
specifying the default argument range for the kde.eval_grid methods.
|
|
|
|
|
For the kde.eval_grid_fast methods the values must cover the range of the data.
|
|
|
|
|
(default min(data)-range(data)/4, max(data)-range(data)/4)
|
|
|
|
|
If a single value of xmin or xmax is given then the boundary is the is
|
|
|
|
|
the same for all dimensions.
|
|
|
|
|
inc : scalar integer
|
|
|
|
|
defining the default dimension of the output from kde.eval_grid methods (default 128)
|
|
|
|
|
(For kde.eval_grid_fast: A value below 50 is very fast to compute but
|
|
|
|
|
may give some inaccuracies. Values between 100 and 500 give very
|
|
|
|
|
accurate results)
|
|
|
|
|
|
|
|
|
|
Members
|
|
|
|
|
-------
|
|
|
|
@ -339,10 +473,14 @@ class KDE(object):
|
|
|
|
|
|
|
|
|
|
Methods
|
|
|
|
|
-------
|
|
|
|
|
kde.evaluate(points) : array
|
|
|
|
|
kde.eval_grid_fast(x0, x1,..., xd) : array
|
|
|
|
|
evaluate the estimated pdf on meshgrid(x0, x1,..., xd)
|
|
|
|
|
kde.eval_grid(x0, x1,..., xd) : array
|
|
|
|
|
evaluate the estimated pdf on meshgrid(x0, x1,..., xd)
|
|
|
|
|
kde.eval_points(points) : array
|
|
|
|
|
evaluate the estimated pdf on a provided set of points
|
|
|
|
|
kde(points) : array
|
|
|
|
|
same as kde.evaluate(points)
|
|
|
|
|
kde(x0, x1,..., xd) : array
|
|
|
|
|
same as kde.eval_grid(x0, x1,..., xd)
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Example
|
|
|
|
@ -367,7 +505,7 @@ class KDE(object):
|
|
|
|
|
0.21409279, 0.12738463, 0.07460326, 0.03956191, 0.01887164])
|
|
|
|
|
|
|
|
|
|
>>> kde0 = wk.KDE(data, hs=0.5, alpha=0.0)
|
|
|
|
|
>>> kde0.evaluate(x)
|
|
|
|
|
>>> kde0.eval_points(x)
|
|
|
|
|
array([ 0.2039735 , 0.40252503, 0.54595078, 0.52219649, 0.3906213 ,
|
|
|
|
|
0.26381501, 0.16407362, 0.08270612, 0.02991145, 0.00720821])
|
|
|
|
|
|
|
|
|
@ -377,8 +515,8 @@ class KDE(object):
|
|
|
|
|
|
|
|
|
|
>>> f = kde0.eval_grid_fast()
|
|
|
|
|
>>> np.interp(x, kde0.args[0], f)
|
|
|
|
|
array([ 0.21165996, 0.41218257, 0.54961961, 0.51713209, 0.38292245,
|
|
|
|
|
0.25864661, 0.16113184, 0.08055992, 0.03576856, 0.03576856])
|
|
|
|
|
array([ 0.21227584, 0.41256459, 0.5495661 , 0.5176579 , 0.38431616,
|
|
|
|
|
0.2591162 , 0.15978948, 0.07889179, 0.02769818, 0.00791829])
|
|
|
|
|
|
|
|
|
|
import pylab as plb
|
|
|
|
|
h1 = plb.plot(x, f) # 1D probability density plot
|
|
|
|
@ -386,41 +524,18 @@ class KDE(object):
|
|
|
|
|
"""
|
|
|
|
|
|
|
|
|
|
def __init__(self, data, hs=None, kernel=None, alpha=0.0, xmin=None, xmax=None, inc=128):
|
|
|
|
|
self.kernel = kernel if kernel else Kernel('gauss')
|
|
|
|
|
self.hs = hs
|
|
|
|
|
self.alpha = alpha
|
|
|
|
|
_KDE.__init__(self, data, hs, kernel, alpha, xmin, xmax, inc)
|
|
|
|
|
|
|
|
|
|
self.dataset = atleast_2d(data)
|
|
|
|
|
self.d, self.n = self.dataset.shape
|
|
|
|
|
self.xmin = xmin
|
|
|
|
|
self.xmax = xmax
|
|
|
|
|
self.inc = inc
|
|
|
|
|
self.initialize()
|
|
|
|
|
|
|
|
|
|
def initialize(self):
|
|
|
|
|
self._set_xlimits()
|
|
|
|
|
def _initialize(self):
|
|
|
|
|
self._compute_smoothing()
|
|
|
|
|
if self.alpha > 0:
|
|
|
|
|
pilot = KDE(self.dataset, hs=self.hs, kernel=self.kernel, alpha=0)
|
|
|
|
|
f = pilot(self.dataset) # get a pilot estimate by regular KDE (alpha=0)
|
|
|
|
|
f = pilot.eval_points(self.dataset) # get a pilot estimate by regular KDE (alpha=0)
|
|
|
|
|
g = np.exp(np.mean(np.log(f)))
|
|
|
|
|
self._lambda = (f / g) ** (-self.alpha)
|
|
|
|
|
else:
|
|
|
|
|
self._lambda = np.ones(self.n)
|
|
|
|
|
|
|
|
|
|
def _set_xlimits(self):
|
|
|
|
|
amin = self.dataset.min(axis=-1)
|
|
|
|
|
amax = self.dataset.max(axis=-1)
|
|
|
|
|
xyzrange = amax-amin
|
|
|
|
|
if self.xmin is None:
|
|
|
|
|
self.xmin = amin-xyzrange/4.0
|
|
|
|
|
else:
|
|
|
|
|
self.xmin = self.xmin * np.ones(self.d)
|
|
|
|
|
if self.xmax is None:
|
|
|
|
|
self.xmax = amax + xyzrange/4.0
|
|
|
|
|
else:
|
|
|
|
|
self.xmax = self.xmax * np.ones(self.d)
|
|
|
|
|
|
|
|
|
|
def _compute_smoothing(self):
|
|
|
|
|
"""Computes the smoothing matrix
|
|
|
|
|
"""
|
|
|
|
@ -451,41 +566,21 @@ class KDE(object):
|
|
|
|
|
self.hs = h
|
|
|
|
|
self._norm_factor = deth * self.n
|
|
|
|
|
|
|
|
|
|
def eval_grid_fast(self, *args):
|
|
|
|
|
"""Evaluate the estimated pdf on a grid.
|
|
|
|
|
|
|
|
|
|
Parameters
|
|
|
|
|
----------
|
|
|
|
|
arg_0,arg_1,... arg_d-1 : vectors
|
|
|
|
|
Alternatively, if no vectors is passed in then
|
|
|
|
|
arg_i = linspace(self.xmin[i], self.xmax[i], self.inc)
|
|
|
|
|
|
|
|
|
|
Returns
|
|
|
|
|
-------
|
|
|
|
|
values : array-like
|
|
|
|
|
The values evaluated at meshgrid(*args).
|
|
|
|
|
|
|
|
|
|
"""
|
|
|
|
|
if len(args)==0:
|
|
|
|
|
args = []
|
|
|
|
|
for i in range(self.d):
|
|
|
|
|
args.append(np.linspace(self.xmin[i], self.xmax[i], self.inc))
|
|
|
|
|
self.args = args
|
|
|
|
|
return self._eval_grid_fast(*args)
|
|
|
|
|
def _eval_grid_fast(self, *args):
|
|
|
|
|
# TODO: This does not work correctly yet! Check it.
|
|
|
|
|
X = np.vstack(args)
|
|
|
|
|
d, inc = X.shape
|
|
|
|
|
dx = X[:,1]-X[:,0]
|
|
|
|
|
dx = X[:, 1] - X[:, 0]
|
|
|
|
|
|
|
|
|
|
Xn = []
|
|
|
|
|
nfft0 = 2*inc
|
|
|
|
|
nfft0 = 2 * inc
|
|
|
|
|
nfft = (nfft0,)*d
|
|
|
|
|
x0 = np.linspace(-inc, inc, nfft0+1)
|
|
|
|
|
x0 = np.linspace(-inc, inc, nfft0 + 1)
|
|
|
|
|
for i in range(d):
|
|
|
|
|
Xn.append(x0[:-1]*dx[i])
|
|
|
|
|
Xn.append(x0[:-1] * dx[i])
|
|
|
|
|
|
|
|
|
|
Xnc = meshgrid(*Xn) if d>1 else Xn
|
|
|
|
|
Xnc = meshgrid(*Xn) if d > 1 else Xn
|
|
|
|
|
|
|
|
|
|
shape0 = Xnc[0].shape
|
|
|
|
|
for i in range(d):
|
|
|
|
@ -494,7 +589,7 @@ class KDE(object):
|
|
|
|
|
Xn = np.dot(self.inv_hs, np.vstack(Xnc))
|
|
|
|
|
|
|
|
|
|
# Obtain the kernel weights.
|
|
|
|
|
kw = self.kernel(Xn)/(self._norm_factor * self.kernel.norm_factor(d, self.n))
|
|
|
|
|
kw = self.kernel(Xn) / (self._norm_factor * self.kernel.norm_factor(d, self.n))
|
|
|
|
|
kw.shape = shape0
|
|
|
|
|
kw = np.fft.ifftshift(kw)
|
|
|
|
|
fftn = np.fft.fftn
|
|
|
|
@ -504,58 +599,23 @@ class KDE(object):
|
|
|
|
|
c = gridcount(self.dataset, X)
|
|
|
|
|
|
|
|
|
|
# Perform the convolution.
|
|
|
|
|
z = np.real(ifftn(fftn(c,s=nfft)*fftn(kw)))
|
|
|
|
|
z = np.real(ifftn(fftn(c, s=nfft) * fftn(kw)))
|
|
|
|
|
|
|
|
|
|
ix = (slice(0,inc),)*d
|
|
|
|
|
return z[ix]*(z[ix]>0.0)
|
|
|
|
|
|
|
|
|
|
def eval_grid(self, *args):
|
|
|
|
|
"""Evaluate the estimated pdf on a grid.
|
|
|
|
|
|
|
|
|
|
Parameters
|
|
|
|
|
----------
|
|
|
|
|
arg_0,arg_1,... arg_d-1 : vectors
|
|
|
|
|
Alternatively, if no vectors is passed in then
|
|
|
|
|
arg_i = linspace(self.xmin[i], self.xmax[i], self.inc)
|
|
|
|
|
|
|
|
|
|
Returns
|
|
|
|
|
-------
|
|
|
|
|
values : array-like
|
|
|
|
|
The values evaluated at meshgrid(*args).
|
|
|
|
|
|
|
|
|
|
"""
|
|
|
|
|
|
|
|
|
|
if len(args)==0:
|
|
|
|
|
args = []
|
|
|
|
|
for i in range(self.d):
|
|
|
|
|
args.append(np.linspace(self.xmin[i], self.xmax[i], self.inc))
|
|
|
|
|
self.args = args
|
|
|
|
|
return self._eval_grid(*args)
|
|
|
|
|
ix = (slice(0, inc),)*d
|
|
|
|
|
return z[ix] * (z[ix] > 0.0)
|
|
|
|
|
|
|
|
|
|
def _eval_grid(self, *args):
|
|
|
|
|
|
|
|
|
|
grd = meshgrid(*args) if len(args)>1 else list(args)
|
|
|
|
|
grd = meshgrid(*args) if len(args) > 1 else list(args)
|
|
|
|
|
shape0 = grd[0].shape
|
|
|
|
|
d = len(grd)
|
|
|
|
|
for i in range(d):
|
|
|
|
|
grd[i] = grd[i].ravel()
|
|
|
|
|
f = self.evaluate(np.vstack(grd))
|
|
|
|
|
f = self.eval_points(np.vstack(grd))
|
|
|
|
|
return f.reshape(shape0)
|
|
|
|
|
|
|
|
|
|
def _check_shape(self, points):
|
|
|
|
|
points = atleast_2d(points)
|
|
|
|
|
d, m = points.shape
|
|
|
|
|
if d != self.d:
|
|
|
|
|
if d == 1 and m == self.d:
|
|
|
|
|
# points was passed in as a row vector
|
|
|
|
|
points = np.reshape(points, (self.d, 1))
|
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m = 1
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else:
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|
msg = "points have dimension %s, dataset has dimension %s" % (d,
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self.d)
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raise ValueError(msg)
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return points
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def evaluate(self, points):
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def _eval_points(self, points):
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|
"""Evaluate the estimated pdf on a set of points.
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Parameters
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@ -574,8 +634,6 @@ class KDE(object):
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|
ValueError if the dimensionality of the input points is different than
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|
the dimensionality of the KDE.
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|
"""
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points = self._check_shape(points)
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d, m = points.shape
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result = np.zeros((m,))
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@ -598,8 +656,6 @@ class KDE(object):
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return result
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__call__ = evaluate
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class _Kernel(object):
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def __init__(self, r=1.0, stats=None):
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@ -624,7 +680,7 @@ class _Kernel(object):
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'''
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return self._effective_support()
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def _effective_support(self):
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return -self.r, self.r
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return - self.r, self.r
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__call__ = kernel
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class _KernelMulti(_Kernel):
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@ -690,27 +746,27 @@ mkernel_triangular = _KernelTriangular(stats=_stats_tria)
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class _KernelGaussian(_Kernel):
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def _kernel(self, x):
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sigma = self.r/4.0
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x2 = (x/sigma) ** 2
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sigma = self.r / 4.0
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x2 = (x / sigma) ** 2
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return exp(-0.5 * x2.sum(axis=0))
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def norm_factor(self, d=1, n=None):
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sigma = self.r/4.0
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sigma = self.r / 4.0
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return (2 * pi * sigma) ** (d / 2.0)
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|
def deriv4_6_8_10(self, t, numout=4):
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'''
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|
Returns 4th, 6th, 8th and 10th derivatives of the kernel function.
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|
'''
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|
phi0 = exp(-0.5*t**2)/sqrt(2*pi)
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phi0 = exp(-0.5 * t ** 2) / sqrt(2 * pi)
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|
p4 = [1, 0, -6, 0, +3]
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|
p4val = np.polyval(p4,t)*phi0
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|
if numout==1:
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|
p4val = np.polyval(p4, t) * phi0
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|
if numout == 1:
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|
return p4val
|
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|
out = [p4val]
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|
pn = p4
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|
|
for ix in range(numout-1):
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|
|
for ix in range(numout - 1):
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|
|
pnp1 = np.polyadd(-np.r_[pn, 0], np.polyder(pn))
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|
|
pnp2 = np.polyadd(-np.r_[pnp1, 0], np.polyder(pnp1))
|
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|
out.append(np.polyval(pnp2, t)*phi0)
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|
out.append(np.polyval(pnp2, t) * phi0)
|
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|
|
pn = pnp2
|
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|
return out
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|
|
@ -898,7 +954,7 @@ class Kernel(object):
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|
# R= int(mkernel(x)^2), mu2= int(x^2*mkernel(x))
|
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|
|
mu2, R, Rdd = self.stats()
|
|
|
|
|
AMISEconstant = (8 * sqrt(pi) * R / (3 * mu2 ** 2 * n)) ** (1. / 5)
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|
|
iqr = np.abs(np.percentile(A, 75, axis=1) - np.percentile(A, 25, axis=1))# interquartile range
|
|
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|
|
iqr = iqrange(A, axis=1) # interquartile range
|
|
|
|
|
stdA = np.std(A, axis=1, ddof=1)
|
|
|
|
|
# % use of interquartile range guards against outliers.
|
|
|
|
|
# % the use of interquartile range is better if
|
|
|
|
@ -1043,34 +1099,34 @@ class Kernel(object):
|
|
|
|
|
# TODO: replace the iteration in the end with a Newton Raphson scheme
|
|
|
|
|
|
|
|
|
|
A = np.atleast_2d(data)
|
|
|
|
|
d, n= A.shape
|
|
|
|
|
d, n = A.shape
|
|
|
|
|
|
|
|
|
|
# R= int(mkernel(x)^2), mu2= int(x^2*mkernel(x))
|
|
|
|
|
mu2, R, Rdd = self.stats()
|
|
|
|
|
|
|
|
|
|
AMISEconstant = (8 * sqrt(pi) * R / (3 * mu2 ** 2 * n)) ** (1. / 5)
|
|
|
|
|
STEconstant = R /(mu2**(2)*n)
|
|
|
|
|
STEconstant = R / (mu2 ** (2) * n)
|
|
|
|
|
|
|
|
|
|
sigmaA = self.hns(A)/AMISEconstant
|
|
|
|
|
sigmaA = self.hns(A) / AMISEconstant
|
|
|
|
|
if h0 is None:
|
|
|
|
|
h0 = sigmaA*AMISEconstant
|
|
|
|
|
h0 = sigmaA * AMISEconstant
|
|
|
|
|
|
|
|
|
|
h = np.asarray(h0, dtype=float)
|
|
|
|
|
|
|
|
|
|
nfft = inc*2
|
|
|
|
|
amin = A.min(axis=1) # Find the minimum value of A.
|
|
|
|
|
amax = A.max(axis=1) #Find the maximum value of A.
|
|
|
|
|
arange = amax-amin # Find the range of A.
|
|
|
|
|
nfft = inc * 2
|
|
|
|
|
amin = A.min(axis=1) # Find the minimum value of A.
|
|
|
|
|
amax = A.max(axis=1) #Find the maximum value of A.
|
|
|
|
|
arange = amax - amin # Find the range of A.
|
|
|
|
|
|
|
|
|
|
#% xa holds the x 'axis' vector, defining a grid of x values where
|
|
|
|
|
#% the k.d. function will be evaluated.
|
|
|
|
|
|
|
|
|
|
ax1 = amin-arange/8.0
|
|
|
|
|
bx1 = amax+arange/8.0
|
|
|
|
|
ax1 = amin - arange / 8.0
|
|
|
|
|
bx1 = amax + arange / 8.0
|
|
|
|
|
|
|
|
|
|
kernel2 = Kernel('gaus')
|
|
|
|
|
mu2,R,Rdd = kernel2.stats()
|
|
|
|
|
STEconstant2 = R /(mu2**(2)*n)
|
|
|
|
|
kernel2 = Kernel('gauss')
|
|
|
|
|
mu2, R, Rdd = kernel2.stats()
|
|
|
|
|
STEconstant2 = R / (mu2 ** (2) * n)
|
|
|
|
|
fft = np.fft.fft
|
|
|
|
|
ifft = np.fft.ifft
|
|
|
|
|
|
|
|
|
@ -1079,61 +1135,61 @@ class Kernel(object):
|
|
|
|
|
ax = ax1[dim]
|
|
|
|
|
bx = bx1[dim]
|
|
|
|
|
|
|
|
|
|
xa = np.linspace(ax,bx,inc)
|
|
|
|
|
xn = np.linspace(0,bx-ax,inc)
|
|
|
|
|
xa = np.linspace(ax, bx, inc)
|
|
|
|
|
xn = np.linspace(0, bx - ax, inc)
|
|
|
|
|
|
|
|
|
|
c = gridcount(A[dim],xa)
|
|
|
|
|
c = gridcount(A[dim], xa)
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
# Step 1
|
|
|
|
|
psi6NS = -15/(16*sqrt(pi)*s**7)
|
|
|
|
|
psi8NS = 105/(32*sqrt(pi)*s**9)
|
|
|
|
|
psi6NS = -15 / (16 * sqrt(pi) * s ** 7)
|
|
|
|
|
psi8NS = 105 / (32 * sqrt(pi) * s ** 9)
|
|
|
|
|
|
|
|
|
|
# Step 2
|
|
|
|
|
k40, k60 = kernel2.deriv4_6_8_10(0, numout=2)
|
|
|
|
|
g1 = (-2*k40/(mu2*psi6NS*n))**(1.0/7)
|
|
|
|
|
g2 = (-2*k60/(mu2*psi8NS*n))**(1.0/9)
|
|
|
|
|
g1 = (-2 * k40 / (mu2 * psi6NS * n)) ** (1.0 / 7)
|
|
|
|
|
g2 = (-2 * k60 / (mu2 * psi8NS * n)) ** (1.0 / 9)
|
|
|
|
|
|
|
|
|
|
# Estimate psi6 given g2.
|
|
|
|
|
kw4, kw6 = kernel2.deriv4_6_8_10(xn/g2, numout=2) # kernel weights.
|
|
|
|
|
kw = np.r_[kw6,0,kw6[-1:0:-1]] # Apply fftshift to kw.
|
|
|
|
|
z = np.real(ifft(fft(c,nfft)*fft(kw))) # convolution.
|
|
|
|
|
psi6 = np.sum(c*z[:inc])/(n*(n-1)*g2**7)
|
|
|
|
|
kw4, kw6 = kernel2.deriv4_6_8_10(xn / g2, numout=2) # kernel weights.
|
|
|
|
|
kw = np.r_[kw6, 0, kw6[-1:0:-1]] # Apply fftshift to kw.
|
|
|
|
|
z = np.real(ifft(fft(c, nfft) * fft(kw))) # convolution.
|
|
|
|
|
psi6 = np.sum(c * z[:inc]) / (n * (n - 1) * g2 ** 7)
|
|
|
|
|
|
|
|
|
|
# Estimate psi4 given g1.
|
|
|
|
|
kw4 = kernel2.deriv4_6_8_10(xn/g1, numout=1) # kernel weights.
|
|
|
|
|
kw = np.r_[kw4,0,kw4[-1:0:-1]] #Apply 'fftshift' to kw.
|
|
|
|
|
z = np.real(ifft(fft(c,nfft)*fft(kw))) # convolution.
|
|
|
|
|
psi4 = np.sum(c*z[:inc])/(n*(n-1)*g1**5)
|
|
|
|
|
kw4 = kernel2.deriv4_6_8_10(xn / g1, numout=1) # kernel weights.
|
|
|
|
|
kw = np.r_[kw4, 0, kw4[-1:0:-1]] #Apply 'fftshift' to kw.
|
|
|
|
|
z = np.real(ifft(fft(c, nfft) * fft(kw))) # convolution.
|
|
|
|
|
psi4 = np.sum(c * z[:inc]) / (n * (n - 1) * g1 ** 5)
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
h1 = h[dim]
|
|
|
|
|
h1 = h[dim]
|
|
|
|
|
h_old = 0
|
|
|
|
|
count = 0
|
|
|
|
|
|
|
|
|
|
while ((abs(h_old-h1)>max(releps*h1,abseps)) and (count < maxit)):
|
|
|
|
|
while ((abs(h_old - h1) > max(releps * h1, abseps)) and (count < maxit)):
|
|
|
|
|
count += 1
|
|
|
|
|
h_old = h1
|
|
|
|
|
|
|
|
|
|
# Step 3
|
|
|
|
|
gamma=((2*k40*mu2*psi4*h1**5)/(-psi6*R))**(1.0/7)
|
|
|
|
|
gamma = ((2 * k40 * mu2 * psi4 * h1 ** 5) / (-psi6 * R)) ** (1.0 / 7)
|
|
|
|
|
|
|
|
|
|
# Now estimate psi4 given gamma.
|
|
|
|
|
kw4 = kernel2.deriv4_6_8_10(xn/gamma, numout=1) #kernel weights.
|
|
|
|
|
kw = np.r_[kw4,0,kw4[-1:0:-1]] # Apply 'fftshift' to kw.
|
|
|
|
|
z = np.real(ifft(fft(c,nfft)*fft(kw))) # convolution.
|
|
|
|
|
kw4 = kernel2.deriv4_6_8_10(xn / gamma, numout=1) #kernel weights.
|
|
|
|
|
kw = np.r_[kw4, 0, kw4[-1:0:-1]] # Apply 'fftshift' to kw.
|
|
|
|
|
z = np.real(ifft(fft(c, nfft) * fft(kw))) # convolution.
|
|
|
|
|
|
|
|
|
|
psi4Gamma = np.sum(c*z[:inc])/(n*(n-1)*gamma**5)
|
|
|
|
|
psi4Gamma = np.sum(c * z[:inc]) / (n * (n - 1) * gamma ** 5)
|
|
|
|
|
|
|
|
|
|
# Step 4
|
|
|
|
|
h1 = (STEconstant2/psi4Gamma)**(1.0/5)
|
|
|
|
|
h1 = (STEconstant2 / psi4Gamma) ** (1.0 / 5)
|
|
|
|
|
|
|
|
|
|
# Kernel other than Gaussian scale bandwidth
|
|
|
|
|
h1 = h1*(STEconstant/STEconstant2)**(1.0/5)
|
|
|
|
|
h1 = h1 * (STEconstant / STEconstant2) ** (1.0 / 5)
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
if count>= maxit:
|
|
|
|
|
if count >= maxit:
|
|
|
|
|
warnings.warn('The obtained value did not converge.')
|
|
|
|
|
|
|
|
|
|
h[dim] = h1
|
|
|
|
@ -1142,9 +1198,9 @@ class Kernel(object):
|
|
|
|
|
|
|
|
|
|
def norm_factor(self, d=1, n=None):
|
|
|
|
|
return self.kernel.norm_factor(d, n)
|
|
|
|
|
def evaluate(self, X):
|
|
|
|
|
return self.kernel(np.atleast_2d(X))
|
|
|
|
|
__call__ = evaluate
|
|
|
|
|
def eval_points(self, points):
|
|
|
|
|
return self.kernel(np.atleast_2d(points))
|
|
|
|
|
__call__ = eval_points
|
|
|
|
|
|
|
|
|
|
def mkernel(X, kernel):
|
|
|
|
|
'''
|
|
|
|
@ -1297,6 +1353,39 @@ def accum(accmap, a, func=None, size=None, fill_value=0, dtype=None):
|
|
|
|
|
|
|
|
|
|
return out
|
|
|
|
|
|
|
|
|
|
def iqrange(data, axis=None):
|
|
|
|
|
'''
|
|
|
|
|
Returns the Inter Quartile Range of data
|
|
|
|
|
|
|
|
|
|
Parameters
|
|
|
|
|
----------
|
|
|
|
|
data : array-like
|
|
|
|
|
Input array or object that can be converted to an array.
|
|
|
|
|
axis : {None, int}, optional
|
|
|
|
|
Axis along which the percentiles are computed. The default (axis=None)
|
|
|
|
|
is to compute the median along a flattened version of the array.
|
|
|
|
|
Returns
|
|
|
|
|
-------
|
|
|
|
|
r : array-like
|
|
|
|
|
abs(np.percentile(data, 75, axis)-np.percentile(data, 25, axis))
|
|
|
|
|
|
|
|
|
|
Notes
|
|
|
|
|
-----
|
|
|
|
|
IQRANGE is a robust measure of spread. The use of interquartile range
|
|
|
|
|
guards against outliers if the distribution have heavy tails.
|
|
|
|
|
|
|
|
|
|
Example
|
|
|
|
|
-------
|
|
|
|
|
>>> a = np.arange(101)
|
|
|
|
|
>>> iqrange(a)
|
|
|
|
|
50.0
|
|
|
|
|
|
|
|
|
|
See also
|
|
|
|
|
--------
|
|
|
|
|
np.std
|
|
|
|
|
'''
|
|
|
|
|
return np.abs(np.percentile(data, 75, axis=axis)-np.percentile(data, 25, axis=axis))
|
|
|
|
|
|
|
|
|
|
def bitget(int_type, offset):
|
|
|
|
|
'''
|
|
|
|
|
Returns the value of the bit at the offset position in int_type.
|
|
|
|
|