diff --git a/CDTools/models/fancy_ptycho_polarized.py b/CDTools/models/fancy_ptycho_polarized.py new file mode 100644 index 0000000..4d0c885 --- /dev/null +++ b/CDTools/models/fancy_ptycho_polarized.py @@ -0,0 +1,395 @@ +cd .. +_future__ import division, print_function, absolute_import + +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 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 + +__all__ = ['PolarizedFancyPtycho'] + +class PolarizedFancyPtycho(FancyPtycho): + + def __init__(self, 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, + polarizer_offsets=None, analyzer_offsets=None, + polarizer_scale=1, analyzer_scale=1, mask=None, + weights = None, translation_scale = 1, saturation=None, + probe_support = None, obj_support=None, oversampling=1, + loss='amplitude mse',units='um', polarizer, analyzer): + + super(FancyPtycho, 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 = None, translation_scale = 1, saturation=None, + probe_support = None, obj_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 + + @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'): + + super(PolarizedFancyPtycho, cls).from_dataset(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') + + # always do this on the cpu + get_as_args = dataset.get_as_args + dataset.get_as(device='cpu') + (indices, translations), patterns = dataset[:] + dataset.get_as(*get_as_args[0],**get_as_args[1]) + + # Set to none to avoid issues with things outside the detector + + 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) + scalar_probe_shape = probe_shape.clone() + probe_shape = t.stack((probe_shape[:-2], t.tensor([2, 1]), probe_shape([-2:]))) + + obj_size, min_translation = tools.initializers.calc_object_setup(scalar_probe_shape, pix_translations, padding=200) + obj_size = t.cat((t.tensor([2, 2]), obj_size)) + + # Finally, initialize the probe and object using this information + if probe_size is None: + probe = tools.initializers.SHARP_style_probe(dataset, scalar_probe_shape, det_slice, propagation_distance=propagation_distance, oversampling=oversampling, polarized=True) + else: + probe = tools.initializers.gaussian_probe(dataset, probe_basis, scalar_probe_shape, probe_size, propagation_distance=propagation_distance, polarized=True) + + 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, + obj_support=obj_support, + oversampling=oversampling, + loss=loss,units=units) + + + def interaction(self, index, translations, polarizer, analyzer): + + # 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[...,:,:] + + + # 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 + prs = Ws[...,None,None,None] * basis_prs + else: + # If a frame-by-frame weight matrix is defined + # This takes the dot product of all the weight matrices with + # the probes. The output has dimensions of translation, then + # coherent mode index, then x,y, and then complex index + # Maybe this can be done with a matmul now? + prs = t.sum(Ws[...,None,None] * basis_prs, axis=-3) + # Now we actually do the interaction, using the sinc subpixel + # translation model as per usual + + # I DON'T KNOW WHAT PROBE NORM IS (AS WELL AS OBJ SUPP AND PROBE SUPP) + + exit_waves = self.probe_norm * tools.interactions.ptycho_2D_sinc( + prs, self.obj_support * self.obj,pix_trans, + shift_probe=True, multiple_modes=True, polarized=True, polarizer=polarizer, analyzer=analyzer) + + #exit_waves = self.probe_norm * tools.interactions.ptycho_2D_round( + # prs, self.obj_support * self.obj,pix_trans, + # multiple_modes=True) + + return 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 vectorial_wavefields(wavefields, tools.propagators.far_field) + + def backward_propagator(self, wavefields): + return vectorial_wavefields(wavefields, tools.propagators.inverse_far_field) + + + def measurement(self, wavefields): + wavefields_x = wavefields[..., 0, :, :, :] + wavefields_x = 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}