%DM Difference-Map algorithm % % [self, cache, psi_dash, fourier_error ] = DM(self,par,cache,psi_dash,fourier_error, iter) % % % ** self structure containing inputs: e.g. current reconstruction results, data, mask, positions, pixel size, .. % ** par structure containing parameters for the engines % ** psi_dash complex projection from previous iteration, or emppty in first iteration % ** cache structure with precalculated values to avoid unnecessary overhead % ** fourier_error array [Npos,1] containing evolution of reconstruction error % ** iter current iteration number % % returns: % ++ self self-like structure with final reconstruction % ++ cache structure with precalculated values to avoid unnecessary overhead % ++ psi_dash complex projection from previous iteration, or emppty in first iteration % ++ fourier_error array [Npos,1] containing evolution of reconstruction error % % Publications most relevant to the Difference-Map implementation % + P. Thibault, M. Dierolf, A. Menzel, O. Bunk, C. David, F. Pfeiffer, % "High-Resolution Scanning X-ray Diffraction Microscopy," Science 321, 379-382 (2008) % + P. Thibault, M. Dierolf, O. Bunk, A. Menzel, F. Pfeiffer, % "Probe retrieval in ptychographic coherent diffractive imaging," % Ultramicroscopy 109, 338–343 (2009) % Academic License Agreement % % Source Code % % Introduction % • This license agreement sets forth the terms and conditions under which the PAUL SCHERRER INSTITUT (PSI), CH-5232 Villigen-PSI, Switzerland (hereafter "LICENSOR") % will grant you (hereafter "LICENSEE") a royalty-free, non-exclusive license for academic, non-commercial purposes only (hereafter "LICENSE") to use the cSAXS % ptychography MATLAB package computer software program and associated documentation furnished hereunder (hereafter "PROGRAM"). % % Terms and Conditions of the LICENSE % 1. LICENSOR grants to LICENSEE a royalty-free, non-exclusive license to use the PROGRAM for academic, non-commercial purposes, upon the terms and conditions % hereinafter set out and until termination of this license as set forth below. % 2. LICENSEE acknowledges that the PROGRAM is a research tool still in the development stage. The PROGRAM is provided without any related services, improvements % or warranties from LICENSOR and that the LICENSE is entered into in order to enable others to utilize the PROGRAM in their academic activities. It is the % LICENSEE’s responsibility to ensure its proper use and the correctness of the results.” % 3. THE PROGRAM IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR % A PARTICULAR PURPOSE AND NONINFRINGEMENT OF ANY PATENTS, COPYRIGHTS, TRADEMARKS OR OTHER RIGHTS. IN NO EVENT SHALL THE LICENSOR, THE AUTHORS OR THE COPYRIGHT % HOLDERS BE LIABLE FOR ANY CLAIM, DIRECT, INDIRECT OR CONSEQUENTIAL DAMAGES OR OTHER LIABILITY ARISING FROM, OUT OF OR IN CONNECTION WITH THE PROGRAM OR THE USE % OF THE PROGRAM OR OTHER DEALINGS IN THE PROGRAM. % 4. LICENSEE agrees that it will use the PROGRAM and any modifications, improvements, or derivatives of PROGRAM that LICENSEE may create (collectively, % "IMPROVEMENTS") solely for academic, non-commercial purposes and that any copy of PROGRAM or derivatives thereof shall be distributed only under the same % license as PROGRAM. The terms "academic, non-commercial", as used in this Agreement, mean academic or other scholarly research which (a) is not undertaken for % profit, or (b) is not intended to produce works, services, or data for commercial use, or (c) is neither conducted, nor funded, by a person or an entity engaged % in the commercial use, application or exploitation of works similar to the PROGRAM. % 5. LICENSEE agrees that it shall make the following acknowledgement in any publication resulting from the use of the PROGRAM or any translation of the code into % another computing language: % "Data processing was carried out using the cSAXS ptychography MATLAB package developed by the Science IT and the coherent X-ray scattering (CXS) groups, Paul % Scherrer Institut, Switzerland." % % Additionally, any publication using the package, or any translation of the code into another computing language should cite for difference map: % P. Thibault, M. Dierolf, A. Menzel, O. Bunk, C. David, F. Pfeiffer, High-resolution scanning X-ray diffraction microscopy, Science 321, 379–382 (2008). % (doi: 10.1126/science.1158573), % for maximum likelihood: % P. Thibault and M. Guizar-Sicairos, Maximum-likelihood refinement for coherent diffractive imaging, New J. Phys. 14, 063004 (2012). % (doi: 10.1088/1367-2630/14/6/063004), % for mixed coherent modes: % P. Thibault and A. Menzel, Reconstructing state mixtures from diffraction measurements, Nature 494, 68–71 (2013). (doi: 10.1038/nature11806), % and/or for multislice: % E. H. R. Tsai, I. Usov, A. Diaz, A. Menzel, and M. Guizar-Sicairos, X-ray ptychography with extended depth of field, Opt. Express 24, 29089–29108 (2016). % (doi: 10.1364/OE.24.029089). % 6. Except for the above-mentioned acknowledgment, LICENSEE shall not use the PROGRAM title or the names or logos of LICENSOR, nor any adaptation thereof, nor the % names of any of its employees or laboratories, in any advertising, promotional or sales material without prior written consent obtained from LICENSOR in each case. % 7. Ownership of all rights, including copyright in the PROGRAM and in any material associated therewith, shall at all times remain with LICENSOR, and LICENSEE % agrees to preserve same. LICENSEE agrees not to use any portion of the PROGRAM or of any IMPROVEMENTS in any machine-readable form outside the PROGRAM, nor to % make any copies except for its internal use, without prior written consent of LICENSOR. LICENSEE agrees to place the following copyright notice on any such copies: % © All rights reserved. PAUL SCHERRER INSTITUT, Switzerland, Laboratory for Macromolecules and Bioimaging, 2017. % 8. The LICENSE shall not be construed to confer any rights upon LICENSEE by implication or otherwise except as specifically set forth herein. % 9. DISCLAIMER: LICENSEE shall be aware that Phase Focus Limited of Sheffield, UK has an international portfolio of patents and pending applications which relate % to ptychography and that the PROGRAM may be capable of being used in circumstances which may fall within the claims of one or more of the Phase Focus patents, % in particular of patent with international application number PCT/GB2005/001464. The LICENSOR explicitly declares not to indemnify the users of the software % in case Phase Focus or any other third party will open a legal action against the LICENSEE due to the use of the program. % 10. This Agreement shall be governed by the material laws of Switzerland and any dispute arising out of this Agreement or use of the PROGRAM shall be brought before % the courts of Zürich, Switzerland. function [self, cache, psi_dash, fourier_error ] = DM(self,par,cache,psi_dash,fourier_error, iter) import utils.* import math.* import engines.GPU.shared.* import engines.GPU.GPU_wrapper.* psi = cell(par.Nmodes, 1); Psi = cell(par.Nmodes, 1); %%%%%%%%%%%%%%%%%%%%%%%%% Difference maps algorithm %%%%%%%%%%%%%%%%%%% beta = 1; gamma = 1; relax_mask = 1; % smoothly change relaxation of the mask %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% probe_norm = norm2(self.probe{1}); object_modes = length(self.object); probe_amp_corr = [0,0]; for ll = 1:par.object_modes obj_proj{ll} = Gzeros([self.Np_p, 0], true); end for ll = 1:object_modes obj_illum{ll,1} = Gzeros(self.Np_o); obj_update{ll,1} = Gzeros(self.Np_o, true); end for ll = 1:par.probe_modes probe_illum{ll} = Gzeros(size(self.probe{ll})); probe_update{ll} = Gzeros(size(self.probe{ll}), true); end % use precalculated blocks to be solved in parallel indices = cache.preloaded_indices_simple{1}.indices; scan_ids = cache.preloaded_indices_simple{1}.scan_ids; Nind = length(indices); p_ind = cell(max(par.probe_modes, par.object_modes),1); for jj = 1:Nind g_ind = indices{jj}; for ll = 1:max(par.probe_modes, par.object_modes) if par.share_probe || ll > 1 % share incoherent modes p_ind{ll} = 1; else if all(scan_ids{jj} == scan_ids{jj}(1)) p_ind{ll} = scan_ids{jj}(1); else p_ind{ll} = scan_ids{jj}; end end end % load on GPU if needed if ~par.keep_on_gpu for ll = 1:max(par.probe_modes, par.object_modes) try; psi_dash{ll,jj} = Garray(psi_dash{ll,jj}); end end end %% fourier propagation for ll = 1:par.object_modes obj_proj{ll} = get_views(self.object, obj_proj{ll},1,ll, g_ind, cache, scan_ids{jj},[]); end for ll = 1:max(par.probe_modes, par.object_modes) probe{ll} = self.probe{min(ll,end)}(:,:,p_ind{ll}); psi{ll} = bsxfun(@times, obj_proj{min(ll, end)}, probe{ll}); if isempty(psi_dash{ll,jj}); psi_dash{ll,jj} = psi{ll}; end % initial guess % P_M (P_0(psi)) Psi{ll} = Gfun(@DM_update_psi, gamma,psi{ll}, psi_dash{ll,jj} ); Psi{ll} = fwd_fourier_proj(Psi{ll}, self.modes{min(ll,end)} ); end %% load data to GPU (if not loaded yet) modF = get_modulus(self, cache, g_ind,true,jj); mask = get_mask(self, cache.mask_indices, g_ind); % get intensity (modulus) on detector including different corrections aPsi = get_reciprocal_model(self, Psi, modF, mask,iter, g_ind, par,cache); if iter > 0 && (par.get_error && (mod(iter,min(20, 2^(floor(2+iter/50)))) == 0 || iter < 20) || iter == par.number_iterations ) [fourier_error(iter,g_ind)] = get_fourier_error(modF, aPsi, [],mask); end if ~isempty(mask) mask = single(1)-mask; mask = relax_mask + (min(relax_mask, par.pfft_relaxation) - relax_mask ) * mask; else mask = par.pfft_relaxation; end if iter == 0 % in the first iteration only find optimal scale for the probe probe_amp_corr(1) = probe_amp_corr(1) + Ggather(sum(modF(:).^2)); probe_amp_corr(2) = probe_amp_corr(2) + Ggather(sum(aPsi(:).^2)); for ll = 1:size(psi_dash,2); psi_dash{ll,jj} = []; end continue end %% fourier (modulus) contraint Psi = modulus_constraint(modF,aPsi,Psi, mask, [], par, 0 ); aPsi = []; modF = []; mask = []; for ll = 1:max(par.probe_modes, par.object_modes) Psi{ll} = back_fourier_proj(Psi{ll}, self.modes{min(end,ll)}); psi_dash{ll,jj} = Gfun(@DM_update, psi_dash{ll,jj} ,beta, Psi{ll},psi{ll}); end Psi = []; % get back from GPU if required if ~par.keep_on_gpu for ll = 1:max(par.probe_modes, par.object_modes) psi_dash{ll,jj} = Ggather(psi_dash{ll,jj}); end end end if iter == 0 % apply initial correction for the probe intensity and return probe_amp_corr = sqrt(probe_amp_corr(1) / probe_amp_corr(2)); %% calculate ratio between modF^2 and aPsi^2 for ii = 1:par.probe_modes self.probe{ii} = self.probe{ii}*probe_amp_corr; end psi_dash = cell(size(psi_dash)); verbose(2,'Probe amplitude corrected by %.3g',probe_amp_corr) return end %% iterative solver of the overlap constraint, important for initial convergence for kk = 1:10 for ll = 1:object_modes obj_illum{ll}(:) = 0; obj_update{ll}(:) = 0i; end for ll = 1:par.probe_modes probe_illum{ll}(:) = 0; probe_update{ll}(:) = 0i; end probe_0 = self.probe; %% obj_update , obj_illum,probe_update,probe_illum is not reset to make it more stable for jj = 1:length(indices) for ll = 1:max(par.probe_modes, par.object_modes) if par.share_probe || ll > 1 % share incoherent modes p_ind{ll} = 1; else if all(scan_ids{jj} == scan_ids{jj}(1)) p_ind{ll} = scan_ids{jj}(1); else p_ind{ll} = scan_ids{jj}; end end end for ll = 1:par.probe_modes probe{ll} = self.probe{ll}(:,:,p_ind{ll}); cprobe{ll} = conj(probe{ll}); aprobe{ll} = real(probe{ll}.*cprobe{ll}); end % move to GPU (if not there yet) for ll = 1:max(par.probe_modes, par.object_modes) psi_dash{ll,jj} = Garray(psi_dash{ll,jj}); end g_ind = indices{jj}; for ll = 1:par.object_modes obj_proj{ll} = get_views(self.object, obj_proj{ll},1,ll, g_ind, cache, scan_ids{jj},[]); end if iter >= par.probe_change_start for ll = 1:par.probe_modes %% update probe [probe_update{ll},probe_illum{ll}] = QQ_probe(psi_dash{ll,jj}, obj_proj{min(end,ll)}, probe_update{ll},probe_illum{ll}, p_ind{ll}); end end if iter >= par.object_change_start %% update object [obj_update,obj_illum] = QQ_object(psi_dash{ll,jj}, obj_update,obj_illum, aprobe{min(ll,end)}, cprobe{min(ll,end)}, g_ind,min(ll, object_modes),scan_ids{jj},cache); end % get back from GPU if required if ~par.keep_on_gpu for ll = 1:max(par.probe_modes, par.object_modes) psi_dash{ll,jj} = Ggather(psi_dash{ll,jj}); end end end for ll = 1:max([par.probe_modes, object_modes]) if iter >= par.probe_change_start && ll <= par.probe_modes % add some inertia to prevent oscilations self.probe{ll} = update_probe(self, self.probe{ll} , probe_update{ll} , probe_illum{ll} , par, ll); end if iter >= par.object_change_start && ll <= object_modes self.object{ll} = Gfun(@update_object, self.object{ll}, obj_update{ll}, obj_illum{ll}, cache.MAX_ILLUM(ll)*1e-4, par.probe_inertia); end end if iter > par.probe_change_start % if both object and probe are recontructed, solve the % realspace constraint iterativelly min_iter = 1 + par.keep_on_gpu; % if par.keep_on_gpu==true, then the code is so slow that it is not worthy skip the norm calculation min_change = 0.01; if kk >= min_iter || verbose >= 2 dprobe = max(norm2(self.probe{1} - probe_0{1}) ./ probe_norm); verbose(2,'Update probe difference: %3.2f%%', dprobe*100) end if kk >= min_iter && dprobe < min_change % change is below 1% and at least 2 iterations were done break end end end if verbose > 2 for kk = 1:object_modes Nresid = sum2(utils.findresidues(self.object{kk}(cache.object_ROI{:})) > 0.1); if Nresid > 0 verbose(1,'Number of residua in object %i: %i', kk, Nresid) end end end end function [probe_update,probe_illum] = QQ_probe(psi, obj_proj, probe_update,probe_illum, p_ind) import engines.GPU.GPU_wrapper.* %% update probe [upd, illum] = Gfun(@QQ_probe_Gfun, psi,obj_proj); if size(probe_update,3)==1 % shared probe probe_update = probe_update+sum(upd,3); probe_illum = probe_illum+sum(illum,3); else probe_update(:,:,p_ind) = probe_update(:,:,p_ind)+sum(upd,3); probe_illum(:,:,p_ind) = probe_illum(:,:,p_ind)+sum(illum,3); end end function norm = get_probe_norm_aux(P0, P1) norm = abs(P0-P1).^2; end function [upd, illum] = QQ_probe_Gfun(psi,proj) upd = psi .* conj(proj) ; illum = abs(proj).^2; end function [obj_update,obj_illum] = QQ_object(psi,obj_update,obj_illum, aprobe, cprobe, g_ind,ll,scan_ids,cache) import engines.GPU.shared.* %% update object psi = psi .* cprobe; [obj_update,obj_illum] = set_views_rc(obj_update,obj_illum,psi,aprobe,1,ll, g_ind, cache, scan_ids,[]); end function psi = DM_update_psi(gamma,psi, psi_dash ) % real space update function for difference maps psi = (1+gamma)*psi - gamma*psi_dash; end function psi_dash = DM_update(psi_dash,beta, psi_tmp,psi ) % update funciton for difference maps psi_dash = psi_dash + beta * ( psi_tmp - psi ) ; end function object = update_object(object, object_upd, object_illum, delta, inertia) % apply also some inertia in the object update object = object*inertia + (1-inertia)*object_upd./ (object_illum+delta); end function probe = update_probe(self, probe, probe_update, probe_illum, par, probe_id) import engines.GPU.shared.* probe_new = probe_update ./ (probe_illum+1e-6); % apply probe support on the first probe mode if probe_id == 1 probe_new = apply_probe_contraints(probe_new, self.modes{probe_id}); end % add some inertia to prevent oscilations probe = par.probe_inertia*probe + (1-par.probe_inertia)*probe_new; end