Merge branch 'master' into working_on_demos

nifty/field.py

@@ -599,58 +599,55 @@ class Field(Loggable, Versionable, object):
         # hermitianize for the first space
         (h, a) = domain[spaces[0]].hermitian_decomposition(
                        val,
-                       domain_axes[spaces[0]],
-                       preserve_gaussian_variance=preserve_gaussian_variance)
+                       domain_axes[spaces[0]])
         # hermitianize all remaining spaces using the iterative formula
-        for space in xrange(1, len(spaces)):
+        for space in spaces[1:]:
             (hh, ha) = domain[space].hermitian_decomposition(
                                               h,
-                                              domain_axes[space],
-                                              preserve_gaussian_variance=False)
+                                              domain_axes[space])
             (ah, aa) = domain[space].hermitian_decomposition(
                                               a,
-                                              domain_axes[space],
-                                              preserve_gaussian_variance=False)
+                                              domain_axes[space])
             c = (hh - ha - ah + aa).conjugate()
             full = (hh + ha + ah + aa)
             h = (full + c)/2.
             a = (full - c)/2.
 
         # correct variance
-
-        # in principle one must not correct the variance for the fixed
-        # points of the hermitianization. However, for a complex field
-        # the input field loses half of its power at its fixed points
-        # in the `hermitian` part. Hence, here a factor of sqrt(2) is
-        # also necessary!
-        # => The hermitianization can be done on a space level since either
-        # nothing must be done (LMSpace) or ALL points need a factor of sqrt(2)
-        # => use the preserve_gaussian_variance flag in the
-        # hermitian_decomposition method above.
-
-        # This code is for educational purposes:
-#        fixed_points = [domain[i].hermitian_fixed_points() for i in spaces]
-#        # check if there was at least one flipping during hermitianization
-#        flipped_Q = np.any([fp is not None for fp in fixed_points])
-#        # if the array got flipped, correct the variance
-#        if flipped_Q:
-#            h *= np.sqrt(2)
-#            a *= np.sqrt(2)
-#
-#            fixed_points = [[fp] if fp is None else fp for fp in fixed_points]
-#            for product_point in itertools.product(*fixed_points):
-#                slice_object = np.array((slice(None), )*len(val.shape),
-#                                        dtype=np.object)
-#                for i, sp in enumerate(spaces):
-#                    point_component = product_point[i]
-#                    if point_component is None:
-#                        point_component = slice(None)
-#                    slice_object[list(domain_axes[sp])] = point_component
-#
-#                slice_object = tuple(slice_object)
-#                h[slice_object] /= np.sqrt(2)
-#                a[slice_object] /= np.sqrt(2)
-
+        if preserve_gaussian_variance:
+            h *= np.sqrt(2)
+            a *= np.sqrt(2)
+
+            if not issubclass(val.dtype.type, np.complexfloating):
+                # in principle one must not correct the variance for the fixed
+                # points of the hermitianization. However, for a complex field
+                # the input field loses half of its power at its fixed points
+                # in the `hermitian` part. Hence, here a factor of sqrt(2) is
+                # also necessary!
+                # => The hermitianization can be done on a space level since
+                # either nothing must be done (LMSpace) or ALL points need a
+                # factor of sqrt(2)
+                # => use the preserve_gaussian_variance flag in the
+                # hermitian_decomposition method above.
+
+                # This code is for educational purposes:
+                fixed_points = [domain[i].hermitian_fixed_points()
+                                for i in spaces]
+                fixed_points = [[fp] if fp is None else fp
+                                for fp in fixed_points]
+
+                for product_point in itertools.product(*fixed_points):
+                    slice_object = np.array((slice(None), )*len(val.shape),
+                                            dtype=np.object)
+                    for i, sp in enumerate(spaces):
+                        point_component = product_point[i]
+                        if point_component is None:
+                            point_component = slice(None)
+                        slice_object[list(domain_axes[sp])] = point_component
+
+                    slice_object = tuple(slice_object)
+                    h[slice_object] /= np.sqrt(2)
+                    a[slice_object] /= np.sqrt(2)
         return (h, a)
 
     def _spec_to_rescaler(self, spec, result_list, power_space_index):
@@ -667,7 +664,7 @@ class Field(Loggable, Versionable, object):
 
         if pindex.distribution_strategy is not local_distribution_strategy:
             self.logger.warn(
-                "The distribution_stragey of pindex does not fit the "
+                "The distribution_strategy of pindex does not fit the "
                 "slice_local distribution strategy of the synthesized field.")
 
         # Now use numpy advanced indexing in order to put the entries of the
@@ -675,8 +672,11 @@ class Field(Loggable, Versionable, object):
         # Do this for every 'pindex-slice' in parallel using the 'slice(None)'s
         local_pindex = pindex.get_local_data(copy=False)
 
-        local_blow_up = [slice(None)]*len(self.shape)
-        local_blow_up[self.domain_axes[power_space_index][0]] = local_pindex
+        local_blow_up = [slice(None)]*len(spec.shape)
+        # it is important to count from behind, since spec potentially grows
+        # with every iteration
+        index = self.domain_axes[power_space_index][0]-len(self.shape)
+        local_blow_up[index] = local_pindex
         # here, the power_spectrum is distributed into the new shape
         local_rescaler = spec[local_blow_up]
         return local_rescaler

nifty/minimization/descent_minimizer.py

@@ -156,13 +156,20 @@ class DescentMinimizer(Loggable, object):
                                                pk=descend_direction,
                                                f_k_minus_1=f_k_minus_1)
             f_k_minus_1 = energy.value
-            energy = new_energy
 
+            # check if new energy value is bigger than old energy value
+            if (new_energy.value - energy.value) > 0:
+                self.logger.info("Line search algorithm returned a new energy "
+                                 "that was larger than the old one. Stopping.")
+                break
+
+            energy = new_energy
             # check convergence
             delta = abs(gradient).max() * (step_length/gradient_norm)
-            self.logger.debug("Iteration : %08u   step_length = %3.1E   "
-                              "delta = %3.1E" %
-                              (iteration_number, step_length, delta))
+            self.logger.debug("Iteration:%08u step_length=%3.1E "
+                              "delta=%3.1E energy=%3.1E" %
+                              (iteration_number, step_length, delta,
+                               energy.value))
             if delta == 0:
                 convergence = self.convergence_level + 2
                 self.logger.info("Found minimum according to line-search. "

nifty/minimization/steepest_descent.py

@@ -40,8 +40,4 @@ class SteepestDescent(DescentMinimizer):
         """
 
         descend_direction = energy.gradient
-        norm = descend_direction.norm()
-        if norm != 1:
-            return descend_direction / -norm
-        else:
-            return descend_direction * -1
+        return descend_direction * -1

nifty/minimization/vl_bfgs.py

@@ -25,7 +25,7 @@ from .line_searching import LineSearchStrongWolfe
 class VL_BFGS(DescentMinimizer):
     def __init__(self, line_searcher=LineSearchStrongWolfe(), callback=None,
                  convergence_tolerance=1E-4, convergence_level=3,
-                 iteration_limit=None, max_history_length=10):
+                 iteration_limit=None, max_history_length=5):
 
         super(VL_BFGS, self).__init__(
                                 line_searcher=line_searcher,
@@ -84,9 +84,6 @@ class VL_BFGS(DescentMinimizer):
         for i in xrange(1, len(delta)):
             descend_direction += delta[i] * b[i]
 
-        norm = descend_direction.norm()
-        if norm != 1:
-            descend_direction /= norm
         return descend_direction
 
 

nifty/operators/diagonal_operator/diagonal_operator.py

@@ -21,7 +21,6 @@ import numpy as np
 from d2o import distributed_data_object,\
                 STRATEGIES as DISTRIBUTION_STRATEGIES
 
-from nifty.basic_arithmetics import log as nifty_log
 from nifty.config import nifty_configuration as gc
 from nifty.field import Field
 from nifty.operators.endomorphic_operator import EndomorphicOperator

nifty/operators/linear_operator/linear_operator.py

@@ -73,7 +73,7 @@ class LinearOperator(Loggable, object):
     __metaclass__ = NiftyMeta
 
     def __init__(self, default_spaces=None):
-        self.default_spaces = default_spaces
+        self._default_spaces = default_spaces
 
     @staticmethod
     def _parse_domain(domain):
@@ -119,10 +119,6 @@ class LinearOperator(Loggable, object):
     def default_spaces(self):
         return self._default_spaces
 
-    @default_spaces.setter
-    def default_spaces(self, spaces):
-        self._default_spaces = utilities.cast_axis_to_tuple(spaces)
-
     def __call__(self, *args, **kwargs):
         return self.times(*args, **kwargs)
 

nifty/operators/projection_operator/projection_operator.py

@@ -163,3 +163,9 @@ class ProjectionOperator(EndomorphicOperator):
     @property
     def self_adjoint(self):
         return True
+
+    # ---Added properties and methods---
+
+    @property
+    def projection_field(self):
+        return self._projection_field

nifty/operators/smoothing_operator/smoothing_operator.py

@@ -135,8 +135,8 @@ class SmoothingOperator(EndomorphicOperator):
         #                      "space as input domain.")
         self._domain = self._parse_domain(domain)
 
-        self.sigma = sigma
-        self.log_distances = log_distances
+        self._sigma = sigma
+        self._log_distances = log_distances
 
     def _inverse_times(self, x, spaces):
         if self.sigma == 0:
@@ -183,18 +183,10 @@ class SmoothingOperator(EndomorphicOperator):
     def sigma(self):
         return self._sigma
 
-    @sigma.setter
-    def sigma(self, sigma):
-        self._sigma = np.float(sigma)
-
     @property
     def log_distances(self):
         return self._log_distances
 
-    @log_distances.setter
-    def log_distances(self, log_distances):
-        self._log_distances = bool(log_distances)
-
     @abc.abstractmethod
     def _smooth(self, x, spaces, inverse):
         raise NotImplementedError

nifty/spaces/lm_space/lm_space.py

@@ -89,25 +89,21 @@ class LMSpace(Space):
         super(LMSpace, self).__init__()
         self._lmax = self._parse_lmax(lmax)
 
-    def hermitian_decomposition(self, x, axes=None,
-                                preserve_gaussian_variance=False):
+    def hermitian_decomposition(self, x, axes=None):
         if issubclass(x.dtype.type, np.complexfloating):
             hermitian_part = x.copy_empty()
             anti_hermitian_part = x.copy_empty()
             hermitian_part[:] = x.real
             anti_hermitian_part[:] = x.imag * 1j
-            if preserve_gaussian_variance:
-                hermitian_part *= np.sqrt(2)
-                anti_hermitian_part *= np.sqrt(2)
         else:
             hermitian_part = x.copy()
             anti_hermitian_part = x.copy_empty()
-            anti_hermitian_part.val[:] = 0
+            anti_hermitian_part[:] = 0
 
         return (hermitian_part, anti_hermitian_part)
 
-#    def hermitian_fixed_points(self):
-#        return None
+    def hermitian_fixed_points(self):
+        return None
 
     # ---Mandatory properties and methods---
 

nifty/spaces/rg_space/rg_space.py

@@ -102,6 +102,12 @@ class RGSpace(Space):
 
     def hermitian_decomposition(self, x, axes=None,
                                 preserve_gaussian_variance=False):
+        # check axes
+        if axes is None:
+            axes = range(len(self.shape))
+        assert len(x.shape) >= len(self.shape), "shapes mismatch"
+        assert len(axes) == len(self.shape), "axes mismatch"
+
         # compute the hermitian part
         flipped_x = self._hermitianize_inverter(x, axes=axes)
         flipped_x = flipped_x.conjugate()
@@ -112,68 +118,46 @@ class RGSpace(Space):
         # use subtraction since it is faster than flipping another time
         anti_hermitian_part = (x-hermitian_part)
 
-        if preserve_gaussian_variance:
-            hermitian_part, anti_hermitian_part = \
-                self._hermitianize_correct_variance(hermitian_part,
-                                                    anti_hermitian_part,
-                                                    axes=axes)
-
         return (hermitian_part, anti_hermitian_part)
 
-    def _hermitianize_correct_variance(self, hermitian_part,
-                                       anti_hermitian_part, axes):
-        # Correct the variance by multiplying sqrt(2)
-        hermitian_part = hermitian_part * np.sqrt(2)
-        anti_hermitian_part = anti_hermitian_part * np.sqrt(2)
-
-        # If the dtype of the input is complex, the fixed points lose the power
-        # of their imaginary-part (or real-part, respectively). Therefore
-        # the factor of sqrt(2) also applies there
-        if not issubclass(hermitian_part.dtype.type, np.complexfloating):
-            # The fixed points of the point inversion must not be averaged.
-            # Hence one must divide out the sqrt(2) again
-            # -> Get the middle index of the array
-            mid_index = np.array(hermitian_part.shape, dtype=np.int) // 2
-            dimensions = mid_index.size
-            # Use ndindex to iterate over all combinations of zeros and the
-            # mid_index in order to correct all fixed points.
-            if axes is None:
-                axes = xrange(dimensions)
-
-            ndlist = [2 if i in axes else 1 for i in xrange(dimensions)]
-            ndlist = tuple(ndlist)
-            for i in np.ndindex(ndlist):
-                temp_index = tuple(i * mid_index)
-                hermitian_part[temp_index] /= np.sqrt(2)
-                anti_hermitian_part[temp_index] /= np.sqrt(2)
-        return hermitian_part, anti_hermitian_part
+    def hermitian_fixed_points(self):
+        dimensions = len(self.shape)
+        mid_index = np.array(self.shape)//2
+        ndlist = [1]*dimensions
+        for k in range(dimensions):
+            if self.shape[k] % 2 == 0:
+                ndlist[k] = 2
+        ndlist = tuple(ndlist)
+        fixed_points = []
+        for index in np.ndindex(ndlist):
+            for k in range(dimensions):
+                if self.shape[k] % 2 != 0 and self.zerocenter[k]:
+                    index = list(index)
+                    index[k] = 1
+                    index = tuple(index)
+            fixed_points += [tuple(index * mid_index)]
+        return fixed_points
 
     def _hermitianize_inverter(self, x, axes):
-        shape = x.shape
         # calculate the number of dimensions the input array has
-        dimensions = len(shape)
+        dimensions = len(x.shape)
         # prepare the slicing object which will be used for mirroring
         slice_primitive = [slice(None), ] * dimensions
         # copy the input data
         y = x.copy()
 
-        if axes is None:
-            axes = xrange(dimensions)
-
         # flip in the desired directions
-        for i in axes:
+        for k in range(len(axes)):
+            i = axes[k]
             slice_picker = slice_primitive[:]
-            if shape[i] % 2 == 0:
-                slice_picker[i] = slice(1, None, None)
-            else:
-                slice_picker[i] = slice(None)
-            slice_picker = tuple(slice_picker)
-
             slice_inverter = slice_primitive[:]
-            if shape[i] % 2 == 0:
+            if (not self.zerocenter[k]) or self.shape[k] % 2 == 0:
+                slice_picker[i] = slice(1, None, None)
                 slice_inverter[i] = slice(None, 0, -1)
             else:
+                slice_picker[i] = slice(None)
                 slice_inverter[i] = slice(None, None, -1)
+            slice_picker = tuple(slice_picker)
             slice_inverter = tuple(slice_inverter)
 
             try:

nifty/spaces/space/space.py

@@ -167,7 +167,7 @@ class Space(DomainObject):
             If the hermitian decomposition is done via computing the half
             sums and differences of `x` and mirrored `x`, all points except the
             fixed points lose half of their variance. If `x` is complex also
-            the lose half of their variance since the real(/imaginary) part
+            they lose half of their variance since the real(/imaginary) part
             gets lost.
 
         Returns

test/test_field.py

@@ -20,20 +20,20 @@ import unittest
 
 import numpy as np
 from numpy.testing import assert_,\
-                          assert_equal
+                          assert_almost_equal,\
+                          assert_allclose
 
 from itertools import product
 
 from nifty import Field,\
                   RGSpace,\
-                  FieldArray
+                  LMSpace,\
+                  PowerSpace
 
-from d2o import distributed_data_object,\
-                STRATEGIES
+from d2o import distributed_data_object
 
 from test.common import expand
 
-np.random.seed(123)
 
 SPACES = [RGSpace((4,)), RGSpace((5))]
 SPACE_COMBINATIONS = [(), SPACES[0], SPACES[1], SPACES]
@@ -55,10 +55,67 @@ class Test_Interface(unittest.TestCase):
         f = Field(domain=domain)
         assert_(isinstance(getattr(f, attribute), desired_type))
 
-#class Test_Initialization(unittest.TestCase):
-#
-#    @parameterized.expand(
-#        itertools.product(SPACE_COMBINATIONS,
-#                          []
-#                          )
-#    def test_
+
+class Test_Functionality(unittest.TestCase):
+    @expand(product([True, False], [True, False],
+                    [True, False], [True, False],
+                    [(1,), (4,), (5,)], [(1,), (6,), (7,)]))
+    def test_hermitian_decomposition(self, z1, z2, preserve, complexdata,
+                                     s1, s2):
+        np.random.seed(123)
+        r1 = RGSpace(s1, harmonic=True, zerocenter=(z1,))
+        r2 = RGSpace(s2, harmonic=True, zerocenter=(z2,))
+        ra = RGSpace(s1+s2, harmonic=True, zerocenter=(z1, z2))
+
+        v = np.random.random(s1+s2)
+        if complexdata:
+            v = v + 1j*np.random.random(s1+s2)
+        f1 = Field(ra, val=v, copy=True)
+        f2 = Field((r1, r2), val=v, copy=True)
+        h1, a1 = Field._hermitian_decomposition((ra,), f1.val, (0,),
+                                                ((0, 1,),), preserve)
+        h2, a2 = Field._hermitian_decomposition((r1, r2), f2.val, (0, 1),
+                                                ((0,), (1,)), preserve)
+        h3, a3 = Field._hermitian_decomposition((r1, r2), f2.val, (1, 0),
+                                                ((0,), (1,)), preserve)
+
+        assert_almost_equal(h1.get_full_data(), h2.get_full_data())
+        assert_almost_equal(a1.get_full_data(), a2.get_full_data())
+        assert_almost_equal(h1.get_full_data(), h3.get_full_data())
+        assert_almost_equal(a1.get_full_data(), a3.get_full_data())
+
+    @expand(product([RGSpace((8,), harmonic=True,
+                             zerocenter=False),
+                     RGSpace((8, 8), harmonic=True, distances=0.123,
+                             zerocenter=True)],
+                    [RGSpace((8,), harmonic=True,
+                             zerocenter=False),
+                     LMSpace(12)]))
+    def test_power_synthesize_analyze(self, space1, space2):
+        p1 = PowerSpace(space1)
+        spec1 = lambda k: 42/(1+k)**2
+        fp1 = Field(p1, val=spec1)
+
+        p2 = PowerSpace(space2)
+        spec2 = lambda k: 42/(1+k)**3
+        fp2 = Field(p2, val=spec2)
+
+        outer = np.outer(fp1.val.get_full_data(), fp2.val.get_full_data())
+        fp = Field((p1, p2), val=outer)
+
+        samples = 1000
+        ps1 = 0.
+        ps2 = 0.
+        for ii in xrange(samples):
+            sk = fp.power_synthesize(spaces=(0, 1), real_signal=True)
+
+            sp = sk.power_analyze(spaces=(0, 1), keep_phase_information=False)
+            ps1 += sp.sum(spaces=1)/fp2.sum()
+            ps2 += sp.sum(spaces=0)/fp1.sum()
+
+        assert_allclose(ps1.val.get_full_data()/samples,
+                        fp1.val.get_full_data(),
+                        rtol=0.1)
+        assert_allclose(ps2.val.get_full_data()/samples,
+                        fp2.val.get_full_data(),
+                        rtol=0.1)

test/test_minimization/quadratic_potential.py

+# -*- coding: utf-8 -*-
+
+from nifty import Energy
+
+
+class QuadraticPotential(Energy):
+    def __init__(self, position, eigenvalues):
+        super(QuadraticPotential, self).__init__(position)
+        self.eigenvalues = eigenvalues
+
+    def at(self, position):
+        return self.__class__(position,
+                              eigenvalues=self.eigenvalues)
+
+    @property
+    def value(self):
+        H = 0.5 * self.position.vdot(
+                    self.eigenvalues(self.position))
+        return H.real
+
+    @property
+    def gradient(self):
+        g = self.eigenvalues(self.position)
+        return g
+
+    @property
+    def curvature(self):
+        return self.eigenvalues

test/test_minimization/test_conjugate_gradient.py

+import unittest
+
+import numpy as np
+from numpy.testing import assert_equal, assert_almost_equal
+
+from nifty import Field, DiagonalOperator, RGSpace, HPSpace
+from nifty import ConjugateGradient
+
+from test.common import expand
+
+spaces = [RGSpace([1024, 1024], distances=0.123), HPSpace(32)]
+
+
+class Test_ConjugateGradient(unittest.TestCase):
+
+    def test_interface(self):
+        iteration_limit = 100
+        convergence_level = 4
+        convergence_tolerance = 1E-6
+        callback = lambda z: z
+        minimizer = ConjugateGradient(
+                                iteration_limit=iteration_limit,
+                                convergence_tolerance=convergence_tolerance,
+                                convergence_level=convergence_level,
+                                callback=callback)
+
+        assert_equal(minimizer.iteration_limit, iteration_limit)
+        assert_equal(minimizer.convergence_level, convergence_level)
+        assert_equal(minimizer.convergence_tolerance, convergence_tolerance)
+        assert(minimizer.callback is callback)
+
+    @expand([[space] for space in spaces])
+    def test_minimization(self, space):
+        np.random.seed(42)
+        starting_point = Field.from_random('normal', domain=space)*10
+        covariance_diagonal = Field.from_random('uniform', domain=space) + 0.5
+        covariance = DiagonalOperator(space, diagonal=covariance_diagonal)
+        required_result = Field(space, val=1.)
+
+        minimizer = ConjugateGradient()
+
+        (position, convergence) = minimizer(A=covariance, x0=starting_point,
+                                            b=required_result)
+
+        assert_almost_equal(position.val.get_full_data(),
+                            1./covariance_diagonal.val.get_full_data(),
+                            decimal=3)

test/test_minimization/test_descent_minimizers.py

+import unittest
+
+import numpy as np
+from numpy.testing import assert_equal, assert_almost_equal
+
+from nifty import Field, DiagonalOperator, RGSpace, HPSpace
+from nifty import SteepestDescent, RelaxedNewton, VL_BFGS
+
+from itertools import product
+from test.common import expand
+
+from quadratic_potential import QuadraticPotential
+
+from nifty import logger
+
+minimizers = [SteepestDescent, RelaxedNewton, VL_BFGS]
+spaces = [RGSpace([1024, 1024], distances=0.123), HPSpace(32)]
+
+
+class Test_DescentMinimizers(unittest.TestCase):
+