from __future__ import division, print_function, absolute_import import torch as t from CDTools.models import CDIModel 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__ = ['FancyPtycho'] class FancyPtycho(CDIModel): 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, mask=None, weights = None, translation_scale = 1, saturation=None, probe_support = None, obj_support=None, oversampling=1, loss='amplitude mse',units='um'): super(FancyPtycho,self).__init__() self.wavelength = t.Tensor([wavelength]) self.detector_geometry = copy(detector_geometry) det_geo = self.detector_geometry if hasattr(det_geo, 'distance'): det_geo['distance'] = t.Tensor(det_geo['distance']) if hasattr(det_geo, 'basis'): det_geo['basis'] = t.Tensor(det_geo['basis']) if hasattr(det_geo, 'corner'): det_geo['corner'] = t.Tensor(det_geo['corner']) self.min_translation = t.Tensor(min_translation) self.probe_basis = t.Tensor(probe_basis) self.detector_slice = detector_slice self.surface_normal = t.Tensor(surface_normal) self.saturation = saturation self.units = units if mask is None: self.mask = mask else: self.mask = t.BoolTensor(mask) # We rescale the probe here so it learns at the same rate as the # object if probe_guess.dim() > 2: self.probe_norm = 1 * t.max(t.abs(probe_guess[0].to(t.complex64))) else: self.probe_norm = 1 * t.max(t.abs(probe_guess.to(t.complex64))) self.probe = t.nn.Parameter(probe_guess.to(t.complex64) / self.probe_norm) self.obj = t.nn.Parameter(obj_guess.to(t.complex64)) if background is None: if detector_slice is not None: background = 1e-6 * t.ones(self.probe[0][self.detector_slice].shape) else: background = 1e-6 * t.ones(self.probe[0].shape) self.background = t.nn.Parameter(t.Tensor(background).to(t.float32)) if weights is None: self.weights = None else: # We now need to distinguish between real-valued per-image # weights and complex-valued per-mode weight matrices if len(weights.shape) == 1: # This is if it's just a list of numbers self.weights = t.nn.Parameter(t.Tensor(weights).to(t.float32)) else: # Now this is a matrix of weights, so we if type(weights) == type(t.zeros(1)): self.weights = t.nn.Parameter(weights.to(t.complex64)) else: # There is a good chance that this doesn't work self.weights = t.nn.Parameter(t.Tensor(weights).to(t.complex64)) if translation_offsets is None: self.translation_offsets = None else: self.translation_offsets = t.nn.Parameter(t.Tensor(translation_offsets).to(t.float32)/ translation_scale) self.translation_scale = translation_scale if probe_support is not None: self.probe_support = probe_support else: self.probe_support = t.ones_like(self.probe[0]) if obj_support is not None: self.obj_support = obj_support self.obj.data = self.obj * obj_support else: self.obj_support = t.ones_like(self.obj) self.oversampling = oversampling # Here we set the appropriate loss function if loss.lower().strip() == 'amplitude mse'\ or loss.lower().strip() == 'amplitude_mse': self.loss = tools.losses.amplitude_mse elif loss.lower().strip() == 'poisson nll' \ or loss.lower().strip() == 'poisson_nll': self.loss = tools.losses.poisson_nll else: raise KeyError('Specified loss function not supported') @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'): 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') (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 if auto_center: center = tools.image_processing.centroid(t.sum(patterns,dim=0)) else: center = None # 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) 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) obj = t.exp(1j*randomize_ang * (t.rand(obj_size)-0.5)) 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= 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}