Files
cdtools/CDTools/models/polarized_fancy_ptycho.py
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Python

import torch as t
from CDTools.models import CDIModel, FancyPtycho
from CDTools.datasets import Ptycho2DDataset
from CDTools import tools
from CDTools.tools import plotting as p
# from CDTools.tools import polarized_plotting as pp
from CDTools.tools import analysis
from matplotlib import pyplot as plt
from datetime import datetime
import numpy as np
from scipy import linalg as sla
from copy import copy
from CDTools.tools import polarization
__all__ = ['PolarizedFancyPtycho']
class PolarizedFancyPtycho(FancyPtycho):
def __init__(self, wavelength, detector_geometry,
probe_basis,
probe_guess, obj_guess, polarizer, analyzer,
detector_slice=None,
surface_normal=np.array([0.,0.,1.]),
min_translation = t.Tensor([0,0]),
background = None, translation_offsets=None,
polarizer_offsets=None, analyzer_offsets=None,
polarizer_scale=1, analyzer_scale=1, mask=None,
weights = None, translation_scale = 1, saturation=None,
probe_support = None, oversampling=1,
loss='amplitude mse',units='um'):
super(PolarizedFancyPtycho, self).__init__(wavelength, detector_geometry,
probe_basis,
probe_guess, obj_guess,
detector_slice=None,
surface_normal=np.array([0.,0.,1.]),
min_translation = t.Tensor([0,0]),
background = None, translation_offsets=None, mask=None,
weights = weights, translation_scale = 1, saturation=None,
probe_support = None, oversampling=1,
loss='amplitude mse',units='um')
if polarizer_offsets is None:
self.polarizer_offsets = None
else:
self.polarizer_offsets = t.nn.Parameter(t.tensor(polarizer_offsets).to(dtype=t.float32)) / polarizer_scale
if analyzer_offsets is None:
self.analyzer_offsets = None
else:
self.analyzer_offsets = t.nn.Parameter(t.tensor(analyzer_offsets).to(dtype=t.float32)) / analyzer_scale
self.polarizer = polarizer
self.analyzer = analyzer
probe_guess = t.tensor(probe_guess, dtype=t.complex64)
if probe_guess.dim() > 4:
self.probe_norm = 1 * t.max(t.abs(probe_guess[0]))
else:
self.probe_norm = 1 * t.max(t.abs(probe_guess))
self.probe = t.nn.Parameter(probe_guess / self.probe_norm)
@classmethod
def from_dataset(cls, dataset, probe_size=None, randomize_ang=0, padding=0, n_modes=1, dm_rank=None, translation_scale = 1, saturation=None, probe_support_radius=None, propagation_distance=None, restrict_obj=-1, scattering_mode=None, oversampling=1, auto_center=False, opt_for_fft=False, loss='amplitude mse', units='um', left_polarized=True):
# When using this method, remember to pass through the inputs
model = FancyPtycho.from_dataset(
dataset,
probe_size=probe_size,
randomize_ang=randomize_ang,
padding=padding,
n_modes=n_modes,
dm_rank=dm_rank,
translation_scale=translation_scale,
saturation=saturation,
probe_support_radius=probe_support_radius,
propagation_distance=propagation_distance,
scattering_mode=scattering_mode,
oversampling=oversampling,
auto_center=auto_center,
opt_for_fft=opt_for_fft,
loss=loss,
units=units)
# Mutate the class to its subclass
model.__class__ = cls
if left_polarized:
x = 1j
else:
x = -1j
probe = model.probe.detach()
probe = t.cat((probe, probe * x), dim=-3)
probe_max = t.max(t.abs(probe))
probe_stack = [0.01 * probe_max * t.rand(probe.shape, dtype=probe.dtype) for i in range(n_modes - 1)]
probe = t.stack([probe, ] + probe_stack)
#print('probe', type(probe), probe.shape)
model.probe.data = probe
#print(model.probe.shape)
# obj = t.stack((model.obj.data, model.obj.data), dim=-3)
# model.obj.data = t.stack((obj.data, obj.data), dim=-4)
# obj = t.exp(1j * randomize_ang * (t.rand(obj_size)-0.5))
obj = model.obj.detach()
# Abe - Probably something identity matrix-like would be a better
# initialization (e.g. ((obj,0*obj),(0*obj,obj))
obj = t.stack((obj, obj), dim=-3)
obj = t.stack((obj, obj), dim=-4)
#print('object', type(obj), obj.shape)
model.obj.data = obj
#print('polarized fancy ptycho from datset obj')
a = obj.detach()
#plt.imshow(np.real(a[0, 0, :, :]))
#plt.figure()
#plt.imshow(np.real(a[0, 1, :, :]))
#plt.show()
# tensor vs tensor.data
return model
polarizers = [tools.polarization.generate_linear_polarizer(i * 45) for i in range(3)]
@classmethod
def from_dataset2(cls, dataset, probe_size=None, randomize_ang=0, padding=0, n_modes=1, dm_rank=None, translation_scale=1, saturation=None, probe_support_radius=None, propagation_distance=None, scattering_mode=None, oversampling=1, auto_center=False, opt_for_fft=False, loss='amplitude mse', units='um'):
wavelength = dataset.wavelength
det_basis = dataset.detector_geometry['basis']
det_shape = dataset[0][1].shape
distance = dataset.detector_geometry['distance']
# always do this on the cpu
get_as_args = dataset.get_as_args
dataset.get_as(device='cpu')
# We include the *extras to make this work even with datasets, like
# polarization dependent datasets, that might toss out extra inputs
(indices, translations, polarizer, analyzer), patterns = dataset[:]
dataset.get_as(*get_as_args[0], **get_as_args[1])
# Set to none to avoid issues with things outside the detector
if auto_center:
center = tools.image_processing.centroid(t.sum(patterns, dim=0))
else:
center = None
if left_polarized:
x = 1j
else:
x = -1j
# Then, generate the probe geometry from the dataset
ewg = tools.initializers.exit_wave_geometry
probe_basis, probe_shape, det_slice = ewg(det_basis,
det_shape,
wavelength,
distance,
center=center,
padding=padding,
opt_for_fft=opt_for_fft,
oversampling=oversampling)
probe_shape = t.stack((2, probe_shape), dim=-3)
if hasattr(dataset, 'sample_info') and \
dataset.sample_info is not None and \
'orientation' in dataset.sample_info:
surface_normal = dataset.sample_info['orientation'][2]
else:
surface_normal = np.array([0., 0., 1.])
# If this information is supplied when the function is called,
# then we override the information in the .cxi file
if scattering_mode in {'t', 'transmission'}:
surface_normal = np.array([0., 0., 1.])
elif scattering_mode in {'r', 'reflection'}:
outgoing_dir = np.cross(det_basis[:, 0], det_basis[:, 1])
outgoing_dir /= np.linalg.norm(outgoing_dir)
surface_normal = outgoing_dir + np.array([0., 0., 1.])
surface_normal /= -np.linalg.norm(surface_normal)
# Next generate the object geometry from the probe geometry and
# the translations
pix_translations = tools.interactions.translations_to_pixel(probe_basis, translations, surface_normal=surface_normal)
obj_size, min_translation = tools.initializers.calc_object_setup(probe_shape, pix_translations, padding=200)
if hasattr(dataset, 'background') and dataset.background is not None:
background = t.sqrt(dataset.background)
else:
background = None
# Finally, initialize the probe and object using this information
if probe_size is None:
probe = tools.initializers.SHARP_style_probe(dataset, probe_shape, det_slice, propagation_distance=propagation_distance, oversampling=oversampling)
else:
probe = tools.initializers.gaussian_probe(dataset, probe_basis, probe_shape, probe_size, propagation_distance=propagation_distance)
# Now we initialize all the subdominant probe modes
probe_max = t.max(t.abs(probe))
probe_stack = [0.01 * probe_max * t.rand(probe.shape, dtype=probe.dtype) for i in range(n_modes - 1)]
probe = t.stack([probe, ] + probe_stack)
# probe = t.stack([tools.propagators.far_field(probe),] + probe_stack)
probe_x, probe_y = probe, probe * x
probe = t.stact((probe_x, probe_y), dim=-3)
a = t.exp(1j * randomize_ang * (t.rand(obj_size)-0.5))
b = t.exp(1j * randomize_ang * (t.rand(obj_size)-0.5))
c = t.exp(1j * randomize_ang * (t.rand(obj_size)-0.5))
d = t.exp(1j * randomize_ang * (t.rand(obj_size)-0.5))
ab = t.stack((a, b), dim=-3)
cd = t.stack((c, d), dim=-3)
obj = t.stack((ab, cd), dim=-4)
det_geo = dataset.detector_geometry
translation_offsets = 0 * (t.rand((len(dataset), 2)) - 0.5)
if dm_rank is not None and dm_rank != 0:
if dm_rank > n_modes:
raise KeyError('Density matrix rank cannot be greater than the number of modes. Use dm_rank = -1 to use a full rank matrix.')
elif dm_rank == -1:
# dm_rank == -1 is defined to mean full-rank
dm_rank = n_modes
Ws = t.zeros(len(dataset), dm_rank, n_modes, dtype=t.complex64)
# Start with as close to the identity matrix as possible,
# cutting of when we hit the specified maximum rank
for i in range(0, dm_rank):
Ws[:, i, i] = 1
else:
# dm_rank == None or dm_rank = 0 triggers a special case where
# a standard incoherent multi-mode model is used. This is the
# default, because it is so common.
# In this case, we define a set of weights which only has one index
Ws = t.ones(len(dataset))
if hasattr(dataset, 'mask') and dataset.mask is not None:
mask = dataset.mask.to(t.bool)
else:
mask = None
if probe_support_radius is not None:
probe_support = t.zeros(probe[0].shape, dtype=t.bool)
xs, ys = np.mgrid[:probe.shape[-2], :probe.shape[-1]]
xs = xs - np.mean(xs)
ys = ys - np.mean(ys)
Rs = np.sqrt(xs**2 + ys**2)
probe_support[Rs < probe_support_radius] = 1
probe = probe * probe_support[None, :, :]
else:
probe_support = None
return cls(wavelength, det_geo, probe_basis, probe, obj,
detector_slice=det_slice,
surface_normal=surface_normal,
min_translation=min_translation,
translation_offsets=translation_offsets,
weights=Ws, mask=mask, background=background,
translation_scale=translation_scale,
saturation=saturation,
probe_support=probe_support,
oversampling=oversampling,
loss=loss, units=units)
def interaction(self, index, translations, polarizer, analyzer, test=False):
# Step 1 is to convert the translations for each position into a
# value in pixels
pix_trans = tools.interactions.translations_to_pixel(self.probe_basis,
translations,
surface_normal=self.surface_normal)
pix_trans -= self.min_translation
# We then add on any recovered translation offset, if they exist
if self.translation_offsets is not None:
pix_trans += self.translation_scale * self.translation_offsets[index]
# This restricts the basis probes to stay within the probe support
basis_prs = self.probe * self.probe_support[...,:,:] # This makes no sense
# self.probe is an Nx2xXxY stach of probes
# Now we construct the probes for each shot from the basis probes
Ws = self.weights[index]
if len(self.weights[0].shape) == 0:
# If a purely stable coherent illumination is defined
# Ws is a tensor of length M, M is the number of frames to be processed
prs = Ws[...,None,None,None,None] * basis_prs
else:
raise NotImplementedError('Unstable Modes not Implemented for polarized light')
pol_probes = polarization.apply_linear_polarizer(prs, polarizer)
exit_waves = self.probe_norm * tools.interactions.ptycho_2D_sinc(
pol_probes, self.obj, pix_trans,
shift_probe=True, multiple_modes=True, polarized=True)
# We're losing some efficiency here, because we only need to keep
# around the scalar wavefield after analyzing the waves.
# But I think it's not a huge issue - Abe
analyzed_exit_waves = polarization.apply_linear_polarizer(exit_waves, analyzer)
return analyzed_exit_waves
def vectorial_wavefields(wavefields, func, *args, **kwargs):
wavefields_x = wavefields[..., 0, :, :, :]
wavefields_y = wavefields[..., 1, :, :, :]
out_x = func(wavefields_x, *args, **kwargs)
out_y = func(wavefields_y, *args, **kwargs)
out = t.stack((out_x, out_y), dim=-4)
return out[..., None, :, :]
def forward_propagator(self, wavefields):
return tools.propagators.far_field(wavefields)
def backward_propagator(self, wavefields):
return tools.propagators.inverse_far_field(wavefields)
def measurement(self, wavefields):
wavefields_x = wavefields[..., 0, :, :]
wavefields_y = wavefields[..., 1, :, :]
out_x = tools.measurements.quadratic_background(wavefields_x,
self.background,
detector_slice=self.detector_slice,
measurement=tools.measurements.incoherent_sum,
saturation=self.saturation,
oversampling=self.oversampling)
# now, set bckgr to 0 since t shouldn't be calculated twice
out_y = tools.measurements.quadratic_background(wavefields_y,
0,
detector_slice=self.detector_slice,
measurement=tools.measurements.incoherent_sum,
saturation=self.saturation,
oversampling=self.oversampling)
return out_x + out_y
# Note: No "loss" function is defined here, because it is added
# dynamically during object creation in __init__
def to(self, *args, **kwargs):
super(PolarizedFancyPtycho, self).to(*args, **kwargs)
def sim_to_dataset(self, args_list):
# In the future, potentially add more control
# over what metadata is saved (names, etc.)
# First, I need to gather all the relevant data
# that needs to be added to the dataset
entry_info = {'program_name': 'CDTools',
'instrument_n': 'Simulated Data',
'start_time': datetime.now()}
surface_normal = self.surface_normal.detach().cpu().numpy()
xsurfacevec = np.cross(np.array([0.,1.,0.]), surface_normal)
xsurfacevec /= np.linalg.norm(xsurfacevec)
ysurfacevec = np.cross(surface_normal, xsurfacevec)
ysurfacevec /= np.linalg.norm(ysurfacevec)
orientation = np.array([xsurfacevec, ysurfacevec, surface_normal])
sample_info = {'description': 'A simulated sample',
'orientation': orientation}
detector_geometry = self.detector_geometry
mask = self.mask
wavelength = self.wavelength
indices, translations = args_list
# Then we simulate the results
data = self.forward(indices, translations)
# And finally, we make the dataset
return Ptycho2DDataset(translations, data,
entry_info = entry_info,
sample_info = sample_info,
wavelength=wavelength,
detector_geometry=detector_geometry,
mask=mask)
def corrected_translations(self, dataset):
translations = dataset.translations.to(dtype=t.float32,device=self.probe.device)
t_offset = tools.interactions.pixel_to_translations(self.probe_basis,self.translation_offsets*self.translation_scale,surface_normal=self.surface_normal)
return translations + t_offset
def get_rhos(self):
# If this is the general unified mode model
if self.weights.dim() >= 2:
Ws = self.weights.detach().cpu().numpy()
rhos_out = np.matmul(np.swapaxes(Ws,1,2), Ws.conj())
return rhos_out
# This is the purely incoherent case
else:
return np.array([np.eye(self.probe.shape[0])]*self.weights.shape[0],
dtype=np.complex64)
def tidy_probes(self, normalization=1, normalize=False):
"""Tidies up the probes
What we want to do here is use all the information on all the probes
to calculate a natural basis for the experiment, and update all the
density matrices to operate in that updated basis
"""
# First we treat the purely incoherent case
# I don't love this pattern of using an if statement with a return
# to catch this case, but because it's so much simpler than the
# unified mode case I think it's appropriate
if self.weights.dim() == 1:
probe = self.probe.detach().cpu().numpy()
ortho_probes = analysis.orthogonalize_probes(probe)
self.probe.data = t.as_tensor(ortho_probes,
device=self.probe.device,dtype=self.probe.dtype)
return
# This is for the unified mode case
# Note to future: We could probably do this more cleanly with an
# SVD directly on the Ws matrix, instead of an eigendecomposition
# of the rho matrix.
rhos = self.get_rhos()
overall_rho = np.mean(rhos,axis=0)
probe = self.probe.detach().cpu().numpy()
ortho_probes, A = analysis.orthogonalize_probes(probe,
density_matrix=overall_rho,
keep_transform=True,
normalize=normalize)
Aconj = A.conj()
Atrans = np.transpose(A)
new_rhos = np.matmul(Atrans,np.matmul(rhos,Aconj))
new_rhos /= normalization
ortho_probes *= np.sqrt(normalization)
dm_rank = self.weights.shape[1]
new_Ws = []
for rho in new_rhos:
# These are returned from smallest to largest - we want to keep
# the largest ones
w,v = sla.eigh(rho)
w = w[::-1][:dm_rank]
v = v[:,::-1][:,:dm_rank]
# For situations where the rank of the density matrix is not
# full in reality, but we keep more modes around than needed,
# some ws can go negative due to numerical error! This is
# extremely rare, but comon enough to cause crashes occasionally
# when there are thousands of individual matrices to transform
# every time this is called.
w = np.maximum(w,0)
new_Ws.append(np.dot(np.diag(np.sqrt(w)),v.transpose()))
new_Ws = np.array(new_Ws)
self.weights.data = t.as_tensor(new_Ws,
dtype=self.weights.dtype,device=self.weights.device)
self.probe.data = t.as_tensor(ortho_probes,
device=self.probe.device,dtype=self.probe.dtype)
def plot_wavefront_variation(self, dataset,fig=None,mode='amplitude',**kwargs):
def get_probes(idx):
basis_prs = self.probe * self.probe_support[...,:,:]
prs = t.sum(self.weights[idx,:,:,None,None] * basis_prs, axis=-4)
ortho_probes = analysis.orthogonalize_probes(prs)
if mode.lower() == 'amplitude':
return np.abs(ortho_probes.detach().cpu().numpy())
if mode.lower() == 'root_sum_intensity':
return np.sum(np.abs(ortho_probes.detach().cpu().numpy())**2,axis=0)
if mode.lower() == 'phase':
return np.angle(ortho_probes.detach().cpu().numpy())
probe_matrix = np.zeros([self.probe.shape[0]]*2,
dtype=np.complex64)
np_probes = self.probe.detach().cpu().numpy()
for i in range(probe_matrix.shape[0]):
for j in range(probe_matrix.shape[0]):
probe_matrix[i,j] = np.sum(np_probes[i]*np_probes[j].conj())
weights = self.weights.detach().cpu().numpy()
probe_intensities = np.sum(np.tensordot(weights,probe_matrix,axes=1)*
weights.conj(),axis=2)
# Imaginary part is already essentially zero up to rounding error
probe_intensities = np.real(probe_intensities)
values = np.sum(probe_intensities,axis=1)
if mode.lower() == 'amplitude' or mode.lower() == 'root_sum_intensity':
cmap = 'viridis'
else:
cmap = 'twilight'
p.plot_nanomap_with_images(self.corrected_translations(dataset), get_probes, values=values, fig=fig, units=self.units, basis=self.probe_basis, nanomap_colorbar_title='Total Probe Intensity',cmap=cmap,**kwargs),
plot_list = [
('',
lambda self, fig, dataset: self.plot_wavefront_variation(dataset, fig=fig, mode='root_sum_intensity', image_title='Root Summed Probe Intensities', image_colorbar_title='Square Root of Intensity'),
lambda self: len(self.weights.shape) >= 2),
('',
lambda self, fig, dataset: self.plot_wavefront_variation(dataset, fig=fig, mode='amplitude', image_title='Probe Amplitudes (scroll to view modes)', image_colorbar_title='Probe Amplitude'),
lambda self: len(self.weights.shape) >= 2),
('',
lambda self, fig, dataset: self.plot_wavefront_variation(dataset, fig=fig, mode='phase', image_title='Probe Phases (scroll to view modes)', image_colorbar_title='Probe Phase'),
lambda self: len(self.weights.shape) >= 2),
('Basis Probe Amplitudes (scroll to view modes)',
lambda self, fig: p.plot_amplitude(self.probe, fig=fig, basis=self.probe_basis, units=self.units)),
('Basis Probe Phases (scroll to view modes)',
lambda self, fig: p.plot_phase(self.probe, fig=fig, basis=self.probe_basis, units=self.units)),
('Average Density Matrix Amplitudes',
lambda self, fig: p.plot_amplitude(np.nanmean(np.abs(self.get_rhos()), axis=0), fig=fig),
lambda self: len(self.weights.shape) >= 2),
('% Power in Top Mode (only accurate after tidy_probes)',
lambda self, fig, dataset: p.plot_nanomap(self.corrected_translations(dataset), analysis.calc_top_mode_fraction(self.get_rhos()), fig=fig, units=self.units),
lambda self: len(self.weights.shape) >= 2),
('Object Amplitude',
lambda self, fig: p.plot_amplitude(self.obj, fig=fig, basis=self.probe_basis, units=self.units)),
('Object Phase',
lambda self, fig: p.plot_phase(self.obj, fig=fig, basis=self.probe_basis, units=self.units)),
('Corrected Translations',
lambda self, fig, dataset: p.plot_translations(self.corrected_translations(dataset), fig=fig, units=self.units)),
('Background',
lambda self, fig: plt.figure(fig.number) and plt.imshow(self.background.detach().cpu().numpy()**2))
]
def save_results(self, dataset):
basis = self.probe_basis.detach().cpu().numpy()
translations = self.corrected_translations(dataset).detach().cpu().numpy()
probe = self.probe.detach().cpu().numpy()
probe = probe * self.probe_norm.detach().cpu().numpy()
obj = self.obj.detach().cpu().numpy()
background = self.background.detach().cpu().numpy()**2
weights = self.weights.detach().cpu().numpy()
return {'basis':basis, 'translation':translations,
'probe':probe,'obj':obj,
'background':background,
'weights':weights}