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SMI.m
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classdef SMI
% SMI: Standard Model Imaging class
%
% SMI is an implementation of the Standard Model framework for
% modeling white matter microstructure with diffusion MRI (supports
% diffusion relaxometry data too)
%
%
% Compulsory inputs:
% - dwi (4D array: [nx x ny x nz x N]) with diffusion-weighted data
% - b [1 x N] array with b-values
% - dirs [3 x N] array with b-vectors
% - sigma (3D array: [nx x ny x nz]) with the noise map
%
% Outputs:
% [out] = SMI.fit(dwi,options);
%
% out.kernel has a [nx x ny x nz x 6] array (if input data had a
% fixed TE)
% with the kernel parameters in the following order:
% (f, Da, Deparallel, Deperpendicular, fw, p2)
% if 2 compartments were fit (IAS + EAS) fw output is simply 0.
%
% out.kernel has a [nx x ny x nz x 8] array (if input data had a
% multiple TE)
% with the kernel parameters in the following order:
% (f, Da, Deparallel, Deperpendicular, fw, T2a, T2e, p2)
% if 2 compartments were fit (IAS + EAS) fw output is simply 0.
%
% out.shells is a [4 x Nshells] array: [b;beta;#directions;TE]
% one column per shell.
% This matrix sorts all the shells in the protocol by columns.
% Nshells is the total number of 'shells' (shell: unique
% combination of {b,beta,TE} )
%
% out.RotInvs.S0 contains a [nx x ny x nz x Nshells] array with
% the zeroth order rotational invariant at each shell
% out.RotInvs.S2 contains a [nx x ny x nz x Nshells] array with
% the second order rotational invariant at each shell
% out.RotInvs.S0/S2 are ordered like the shells in out.shells
%
% =====================================================================
% Minimal usage:
%
% % % Add SMI.m to the path, e.g.:
% addpath('/Documents/SantiagoCoelho/Git/SMI')
%
% % % Load dwi, protocol, and mask
%
% % % Specify protocol information
% options.b = bval;
% options.dirs = dirs;
% options.MergeDistance = []; % If []: default is 0.05 [ms/um^2], this
% is the threshold for considering different b-values as the same shell
%
% % % Specify mask and noise map
% options.mask = logical(mask);
% options.sigma = sigma;
%
% % % Run SM fitting (dwi is a 4D array)
% [out] = SMI.fit(dwi,options);
%
% =====================================================================
% More advanced usage:
%
% % % Add SMI.m to the path, e.g.:
% addpath('/Documents/SantiagoCoelho/Git/SMI')
%
% % % Load dwi, protocol, and mask
%
% % % Specify protocol information
% options.b = bval;
% options.beta = beta;
% options.dirs = dirs;
% options.TE = TE;
%
% % % Specify mask and noise map
% options.mask = logical(mask);
% options.sigma = sigma;
%
% % % Specify options for the fit
% options.compartments = {'IAS','EAS','FW'}; % The order does not matter
% options.NoiseBias = 'Rician'; % use 'None' for zero-mean noise
%
% % % Run SM fitting (dwi is a 4D array)
% [out] = SMI.fit(dwi,options);
%
% =====================================================================
%
% % % ADVANCED OPTIONS:
%
% % % The protocol is defined by
% options.b
% options.dirs
% options.beta
% options.TE
%
% % % Select compartments (FW can be removed)
% options.compartments = {'IAS','EAS','FW'};
%
% % % Bounds for training data sampled from a uniform distribution
% options.MLTraining.Ntraining is the number of training samples (default is 40000)
% lb_training = options.MLTraining.bounds % [2 x 8] array of lower and upper bounds
%
% The order is: [f, Da, Depar, Deperp, fw, T2a, T2e, p2] (If data has
% fixed TE then the T2a and T2e priors are simply ignored)
%
% default is options.MLTraining.bounds = [0.05, 1, 1, 0.1, 0, 50, 50, 0.05; 0.95, 3, 3, 1.2, 0.5, 150, 120, 0.99];
%
% If options.MLTraining does not exist then the training data is generated with the default options
%
% options.Nlevels divides the range of noise levels into Nlevels. This
% performs a separate regression for each noise level and applies to each
% voxel the corresponding one depending on its SNR (default is 10 levels)
%
% % % masking
% options.mask contains a 3D logical array with the values where the fit
% should be applied
%
% % % Noise bias
% options.NoiseBias = 'None' (default) the spherical harmonics are fit to the
% DWI
% options.NoiseBias = 'Rician' a Rician bias correction step is applied to
% the DWI before the spherical harmonics fitting
%
% % % Noise level
% options.sigma contains a 3D array with the noise level, this can be
% computed using MPPCA (see github documentation for more details)
%
% Free water compartment
% options.D_FW this diffusivity is by default fixed at 3
% micrometer^2/ms which is the water diffusivity at body temperature.
% If working with ex vivo samples at lower temperature it can be set to
% a different value
%
% =====================================================================
%
% Authors: Santiago Coelho ([email protected]), Jelle Veraart, Els Fieremans, Dmitry Novikov
% Copyright (c) 2022 New York University
%
% Permission is hereby granted, free of charge, to any non-commercial entity ('Recipient') obtaining a
% copy of this software and associated documentation files (the 'Software'), to the Software solely for
% non-commercial research, including the rights to use, copy and modify the Software, subject to the
% following conditions:
%
% 1. The above copyright notice and this permission notice shall be included by Recipient in all copies
% or substantial portions of the Software.
%
% 2. THE SOFTWARE IS PROVIDED 'AS IS', WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT
% NOT LIMITED TO THE WARRANTIESOF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT.
% IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BELIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY,
% WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF ORIN CONNECTION WITH THE
% SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
%
% 3. In no event shall NYU be liable for direct, indirect, special, incidental or consequential damages
% in connection with the Software. Recipient will defend, indemnify and hold NYU harmless from any
% claims or liability resulting from the use of the Software by recipient.
%
% 4. Neither anything contained herein nor the delivery of the Software to recipient shall be deemed to
% grant the Recipient any right or licenses under any patents or patent application owned by NYU.
%
% 5. The Software may only be used for non-commercial research and may not be used for clinical care.
%
% 6. Any publication by Recipient of research involving the Software shall cite the references listed
% below.
%
% REFERENCES:
% - Coelho, S., Baete, S., Lemberskiy, G., Ades-Aron, B., Barrol, G., Veraart, J., Novikov, D.S., Fieremans, E., 2022 (ArXiv)
% - Novikov, D.S., Veraart, J., Jelescu, I.O., Fieremans, E., 2018. Rotationally-invariant mapping of scalar and orientational metrics of neuronal microstructure with diffusion MRI. NeuroImage 174, 518 – 538
% - Reisert, M., Kellner, E., Dhital, B., Hennig, J., Kiselev, V.G., 2017. Disentangling micro from mesostructure by diffusion MRI: A Bayesian approach. NeuroImage 147, 964 – 975.
%
methods ( Static = true )
% =================================================================
function [out] = fit(dwi,options)
% [out] = fit(dwi,options)
%
% This function is a wrapper that fits the and the SM parameters from the
% input dwi (4D array) using the information in 'options'.
%
% First, the rotational invariants of the diffusion signal are estimated.
% Then, from these the SM kernel parameters are estimated.
if (~isfield(options,'b'))||(~isfield(options,'dirs'))
error('b and dirs are compulsory arguments for SMI to run')
end
dirs = options.dirs;
if max(options.b)<100
b_micro_units=options.b;
else
b_micro_units=options.b/1000;
end
if ~isfield(options,'MergeDistance')
MergeDistance = [];
else
MergeDistance = options.MergeDistance;
end
if ~isfield(options,'beta')
beta = [];
else
beta = options.beta;
end
if ~isfield(options,'TE')
TE = [];
else
TE = options.TE;
end
if isempty(TE)||length(unique(TE))==1
fit_T2=0;
else
fit_T2=1;
end
if ~isfield(options,'CS_phase')
CS_phase = 1;
else
CS_phase = options.CS_phase;
end
if ~isfield(options,'D_FW')
D_FW = 3;
else
D_FW = options.D_FW;
end
if ~isfield(options,'flag_fit_fODF')
flag_fit_fODF = 0;
else
flag_fit_fODF = options.flag_fit_fODF;
end
if ~isfield(options,'flag_rectify_fODF')
flag_rectify_fODF = 0;
else
flag_rectify_fODF = options.flag_rectify_fODF;
end
if ~isfield(options,'flag_freeze_seeds')
flag_freeze_seeds = 1;
else
flag_freeze_seeds = options.flag_freeze_seeds;
end
if flag_freeze_seeds
rng default
end
% Grab compartments data from options (default is IAS + EAS + FW)
flag_compartments=[0 0 0 0];
if ~isfield(options,'compartments')
flag_compartments=[1 1 0 0]; % Default is 2 compartments
else
id_IAS = find(strcmp(options.compartments, 'IAS'));
id_EAS = find(strcmp(options.compartments, 'EAS'));
id_FW = find(strcmp(options.compartments, 'FW' ));
id_DOT = find(strcmp(options.compartments, 'DOT'));
if id_IAS
flag_compartments(1)=1;
end
if id_EAS
flag_compartments(2)=1;
end
if id_FW
flag_compartments(3)=1;
end
if id_DOT
flag_compartments(4)=1;
error('Current version does not support a DOT compartment (update should be ready soon)')
end
end
if ~isfield(options,'Nlevels')
Nlevels = 10;
else
Nlevels = options.Nlevels;
end
if ~isfield(options,'Lmax')
Lmax = SMI.GetDefaultLmax(b_micro_units,beta,TE,MergeDistance);
else
Lmax = options.Lmax;
end
if ~isfield(options,'RotInv_Lmax')&&(max(Lmax)>=4)
RotInv_Lmax = 4;
elseif ~isfield(options,'RotInv_Lmax')
RotInv_Lmax = 2;
else
RotInv_Lmax = options.RotInv_Lmax;
end
if ~isfield(options,'Degree_Kernel_PR')
Degree_Kernel_PR = 3;
else
Degree_Kernel_PR = options.Degree_Kernel_PR;
end
if ~isfield(options,'run_maximumlikelihood')
run_maximumlikelihood = 0;
else
run_maximumlikelihood = options.run_maximumlikelihood;
end
if run_maximumlikelihood
flag_fit_fODF = 1; % This is needed as an initial condition for the search
end
% Generate or read priors
if any(any(isnan(options.MLTraining.bounds)))&&isfield(options.MLTraining,'prior')
prior = options.MLTraining.prior;
if ~fit_T2
% Add fake T2s (will be ignored since TE is fixed and T2 will not be estimated)
prior=[prior(:,1:5), 100*ones(size(prior,1),2), prior(:,6:end)];
end
% elseif isfield(options.MLTraining,'prior')
% prior=options.MLTraining.prior;
else
if ~isfield(options.MLTraining,'Ntraining')
if fit_T2
Ntraining = 2e5;
else
Ntraining = 1e5;
end
else
Ntraining = options.MLTraining.Ntraining;
end
Lmax_training=6;
if ~isfield(options,'MLTraining')
lb_training = [0.05, 1, 1, 0.1, 0, 50, 50, 0.05];
ub_training = [0.95, 3, 3, 1.2, 0.5, 150, 120, 0.99];
else
lb_training = options.MLTraining.bounds(1,:);
ub_training = options.MLTraining.bounds(2,:);
end
[f,Da,Depar,Deperp,f_FW,T2a,T2e,p2,plm_train] = SMI.Get_uniformly_distributed_SM_prior(Ntraining,lb_training,ub_training,Lmax_training);
if RotInv_Lmax==2
prior=[f,Da,Depar,Deperp,f_FW,T2a,T2e,p2];
elseif RotInv_Lmax==4
p4=sqrt(sum(plm_train(:,6:14).^2,2));
prior=[f,Da,Depar,Deperp,f_FW,T2a,T2e,p2,p4];
elseif RotInv_Lmax==6
p4=sqrt(sum(plm_train(:,6:14).^2,2));
p6=sqrt(sum(plm_train(:,15:27).^2,2));
prior=[f,Da,Depar,Deperp,f_FW,T2a,T2e,p2,p4,p6];
end
end
if (RotInv_Lmax==2&&size(prior,2)<8)||(RotInv_Lmax==4&&size(prior,2)<9)||(RotInv_Lmax==6&&size(prior,2)<10)
error('Inconsistency between desired Lmax for ML fitting and prior distribution')
end
if ~isfield(options,'mask')
sz = size(dwi);
mask = true(sz(1:3));
else
mask = options.mask;
end
% Apply Rician bias correction if needed
if ~isfield(options,'NoiseBias')||strcmp(options.NoiseBias,'None')
flag_Rician_bias = 0;
elseif strcmp(options.NoiseBias,'Rician')
flag_Rician_bias = 1;
end
if ~isfield(options,'sigma')||isempty(options.sigma)
if isempty(TE)
b0_for_sigma_flag=(b_micro_units<0.1);
else
b0_for_sigma_flag=(b_micro_units<0.1)&(TE==min(TE));
end
b0s=dwi(:,:,:,b0_for_sigma_flag);
% sigma = smooth3(std(b0s,[],4),'gaussian',5,1);
sigma = double(smooth3(SMI.PatchBasedSigma(b0s,[3 3 3]),'gaussian',3,1));
warning('sigma was not an input (not recommended)')
else
sigma = double(options.sigma);
end
if flag_Rician_bias
ndwi = size(dwi, 4);
dwi=sqrt(abs(dwi.^2 - repmat(sigma.^2,[1 1 1 ndwi])));
end
% Spherical harmonics fit
%%%%%[~,Sl,~,table_4D_sorted] = SMI.Fit2D4D_LLS_RealSphHarm_wSorting_norm_varL(dwi,mask,b_micro_units,dirs,beta,TE,Lmax,MergeDistance);
% Spherical harmonics fit with rank 1 denoising on Slm to compute Sl
[Slm,Sl,~,table_4D_sorted] = SMI.Fit2D4D_LLS_RealSphHarm_wSorting_norm_varL_rank1Sl(dwi,mask,b_micro_units,dirs,beta,TE,Lmax,MergeDistance);
% Concatenate rotational invariants
out.RotInvs.S0=squeeze(Sl(:,:,:,1,:));
if RotInv_Lmax==0
RotInvs=squeeze(Sl(:,:,:,1,:));
elseif RotInv_Lmax==2
RotInvs=cat(4,squeeze(Sl(:,:,:,1,:)),squeeze(Sl(:,:,:,2,:)));
out.RotInvs.S2=squeeze(Sl(:,:,:,2,:));
elseif RotInv_Lmax==4
RotInvs=cat(4,squeeze(Sl(:,:,:,1,:)),squeeze(Sl(:,:,:,2,:)),squeeze(Sl(:,:,:,3,:)));
out.RotInvs.S2=squeeze(Sl(:,:,:,2,:));
out.RotInvs.S4=squeeze(Sl(:,:,:,3,:));
elseif RotInv_Lmax==6
RotInvs=cat(4,squeeze(Sl(:,:,:,1,:)),squeeze(Sl(:,:,:,2,:)),squeeze(Sl(:,:,:,3,:)),squeeze(Sl(:,:,:,4,:)));
out.RotInvs.S2=squeeze(Sl(:,:,:,2,:));
out.RotInvs.S4=squeeze(Sl(:,:,:,3,:));
out.RotInvs.S6=squeeze(Sl(:,:,:,4,:));
end
out.shells=table_4D_sorted;
% Run polynomial regression training and fitting
sigma_norm_limits = [0 0.2];
KERNEL = SMI.StandardModel_MLfit_RotInvs(RotInvs,mask,sigma,b_micro_units,beta,TE,prior,Nlevels,sigma_norm_limits,flag_compartments,MergeDistance,RotInv_Lmax,Lmax,D_FW,Degree_Kernel_PR);
out.kernel = KERNEL;
out.sigma = sigma;
if flag_fit_fODF
% [plm,pl] = SMI.get_plm_from_Slm_and_kernel(Slm,Lmax,KERNEL,mask,table_4D_sorted,D_FW);
if ~fit_T2
s0 = Sl(:,:,:,1,1); % This does not work for variable TE data! (this is not S0)
else % Fit s0 if variable TE data (not the b0)
logb0s = SMI.vectorize(log(dwi(:,:,:,b_micro_units<0.1)),mask);
TE_b0s = TE(b_micro_units<0.1);
coeffs = logb0s'*pinv([ones(length(TE_b0s),1) TE_b0s(:)]');
s0 = SMI.vectorize(exp(coeffs(:,1))',mask);
end
[plm,pl] = SMI.get_plm_from_S_and_kernel(dwi./s0,Lmax,KERNEL,mask,b_micro_units,beta,TE,dirs,CS_phase,D_FW);
out.plm = plm;
out.pl = pl;
out.CS_phase=CS_phase;
out.Lmax=Lmax;
end
if flag_rectify_fODF
plm=SMI.vectorize(plm,mask);
[EPSILON,~,~] = SMI.Compute_eps_ODF_rectification(plm(2:end,:),CS_phase);
out.epsilon=SMI.vectorize(EPSILON',mask);
end
if run_maximumlikelihood
flag_FW = single(id_FW);
if flag_FW || fit_T2
kernel_from_PR = cat(4,out.kernel(:,:,:,1:7),out.plm(:,:,:,1:5));
elseif flag_FW || ~fit_T2
kernel_from_PR = cat(4,out.kernel(:,:,:,1:5),out.plm(:,:,:,1:5));
elseif ~flag_FW || fit_T2
kernel_from_PR = cat(4,out.kernel(:,:,:,[1:4 6:7]),out.plm(:,:,:,1:5));
elseif ~flag_FW || ~fit_T2
kernel_from_PR = cat(4,out.kernel(:,:,:,1:4),out.plm(:,:,:,1:5));
end
KernelfODFInitializations = cat(4,kernel_from_PR,out.plm(:,:,:,1:5));
[KERNEL_maxlik,p2m_maxlik,RESNORM,Niterations] = SMI.MaxLikfit_on_Slm(Slm,Lmax,MergeDistance,KernelfODFInitializations,mask,b_micro_units,beta,TE,flag_FW,D_FW,CS_phase);
toc
out.KERNEL_maxlik = KERNEL_maxlik;
out.p2_maxlik = sqrt(sum(p2m_maxlik.^2,4));
out.p2m_maxlik = p2m_maxlik;
out.RESNORM_maxlik = RESNORM;
out.Niterations_maxlik = Niterations;
end
% =================================================================
% Write log file with all fitting details
if ~isfield(options,'path_log')
path_log = pwd;
else
path_log = options.path_log;
end
if ~isfield(options,'filename_log')
randomstr = char(randi([65 90],1,10));
filename_log = ['log_SMI_',randomstr,'.txt'];
else
filename_log = options.filename_log;
end
if ~strcmp(filename_log(end-3:end),'.txt')
filename_log = [filename_log,'.txt'];
end
file_log = 'SMI fitting parameters:\n';
Todays_date = datetime('now','TimeZone','local','Format','d-MMM-y HH:mm:ss Z');
file_log = [file_log sprintf('Performed on: %s\n',Todays_date)];
file_log = [file_log sprintf('- Noise bias: %s \n',options.NoiseBias)];
file_log = [file_log,'- Compartments:'];
for ii=1:length(options.compartments)
if ii==length(options.compartments)
file_log = [file_log,' ',options.compartments{ii},'\n'];
else
file_log = [file_log,' ',options.compartments{ii}];
end
end
Nshells = size(out.shells,2);
file_log = [file_log sprintf('- Sigma (normalized) ranges: [%2f %2f] split into %d intervals\n',sigma_norm_limits(1),sigma_norm_limits(2),Nlevels)];
file_log = [file_log sprintf('- Shells merging factor: %f\n',options.MergeDistance)];
file_log = [file_log sprintf(['- Final shells Lmax: ',repmat('%d ',1,Nshells),' \n'],Lmax)];
file_log = [file_log sprintf(['- Final shells bval: ',repmat('%.2f ',1,Nshells),' \n'],out.shells(1,:))];
file_log = [file_log sprintf(['- Final shells bshape: ',repmat('%.2f ',1,Nshells),' \n'],out.shells(2,:))];
file_log = [file_log sprintf(['- Final shells Ndirs: ',repmat('%d ',1,Nshells),' \n'],out.shells(3,:))];
if length(unique(out.shells(4,:)))==1
file_log = [file_log '- Fixed TE data\n'];
else
file_log = [file_log sprintf(['- Final shells TE: ',repmat('%.1f ',1,Nshells),' \n'],out.shells(4,:))];
end
file_log = [file_log sprintf('- Training samples: %d (for [ f, Da, Depar, Deperp, f_w, T2a, T2e, p2])\n',Ntraining)];
file_log = [file_log sprintf(['- Lower bounds for training (uniform distribution): ',repmat('%.2f ',1,length(lb_training)),' \n'],lb_training)];
file_log = [file_log sprintf(['- Upper bounds for training (uniform distribution): ',repmat('%.2f ',1,length(ub_training)),' \n'],ub_training)];
file_log = [file_log sprintf('- MAX S_l used for kernel polynomial regression: %d \n',RotInv_Lmax)];
file_log = [file_log sprintf('- Degree used for kernel polynomial regression: %d \n',Degree_Kernel_PR)];
file_log = [file_log sprintf('- Free water diffusivity used: %.2f um^2/ms \n',D_FW)];
fid = fopen(fullfile(path_log,filename_log),'wt');
fprintf(fid, file_log);
fclose(fid);
end
% =================================================================
function [plm,pl] = get_plm_from_S_and_kernel(dwi_norm,Lmax,kernel,mask,b,beta,TE,dirs,CS_phase,D_FW)
% [plm,pl] = get_plm_from_S_and_kernel(dwi_norm,Lmax,kernel,mask,b,beta,TE,dirs,CS_phase,D_FW)
%
% This function does not assume shells for plm estimation,
% joint plm estimation from DWI+kernel
%
% PLM ARE NORMALIZED
%
if ~exist('beta', 'var') || isempty(beta)
beta = ones(size(b));
end
if ~exist('TE', 'var') || isempty(TE)
TE = zeros(size(b));
end
LMAX=max(Lmax);
if LMAX==0, error('Lmax needs to be larger than 0 for fitting the fODF'), end
L_all = repelem(0:2:LMAX,2*(0:2:LMAX)+1);
N_l = sqrt((2*L_all+1)*(4*pi));
Y_LM_matrix = SMI.get_even_SH(dirs,LMAX,CS_phase);
if LMAX==0
plm=nan;
fprintf('~~~ plm will not be estimated since only S0 is estimated\n')
else
warning('off','MATLAB:rankDeficientMatrix')
sz=size(kernel);
if isempty(mask)
mask=true(sz(1:3));
end
dwi_norm=SMI.vectorize(dwi_norm,mask);
% Grab kernel
kernel=SMI.vectorize(kernel,mask);
f=kernel(1,:);
Da=kernel(2,:);
Depar=kernel(3,:);
Deperp=kernel(4,:);
fw=kernel(5,:);
Ndwi=length(b); % No shells are assumed, we compute Rotational invariants for each dwi
Nvoxels=length(f);
if length(unique(TE))>1
T2a=kernel(6,:);
T2e=kernel(7,:);
else
T2a=ones(size(f));
T2e=ones(size(f));
end
x=[f; Da; Depar; Deperp; fw; T2a; T2e]';
Kell=zeros(Nvoxels,Ndwi,LMAX/2+1);
Kell(:,:,1) = SMI.RotInv_Kell_wFW_b_beta_TE_numerical(0,b,beta,TE,x,D_FW);
if LMAX>=2
Kell(:,:,2) = SMI.RotInv_Kell_wFW_b_beta_TE_numerical(2,b,beta,TE,x,D_FW);
end
if LMAX>=4
Kell(:,:,3) = SMI.RotInv_Kell_wFW_b_beta_TE_numerical(4,b,beta,TE,x,D_FW);
end
if LMAX>=6
Kell(:,:,4) = SMI.RotInv_Kell_wFW_b_beta_TE_numerical(6,b,beta,TE,x,D_FW);
end
if LMAX>=8
Kell(:,:,5) = SMI.RotInv_Kell_wFW_b_beta_TE_numerical(8,b,beta,TE,x,D_FW);
end
Kell=permute(Kell,[3 2 1]);
% plm=zeros(LMAX*(LMAX+3)/2+1,Nvoxels);
plm=zeros(LMAX*(LMAX+3)/2,Nvoxels);
Nlm=2*(0:2:LMAX)+1;
for ii=1:Nvoxels
KltimesYlm=repelem(Kell(:,:,ii),Nlm,1)'.*(Y_LM_matrix.*N_l);
% plm(:,ii)=KltimesYlm\dwi_norm(:,ii);
dwi_norm_minus_spherical_mean = dwi_norm(:,ii)-KltimesYlm(:,1);
plm(:,ii)=KltimesYlm(:,2:end)\dwi_norm_minus_spherical_mean;
end
plm=SMI.vectorize(plm,mask);
NormEll=ones(1,4);%4*pi*(2*(2:2:8)+1);
if LMAX==2
pl=sqrt(sum(plm(:,:,:,1:5).^2,4)/NormEll(1));
elseif LMAX==4
pl=cat(4,sqrt(sum(plm(:,:,:,1:5).^2,4)/NormEll(1)),sqrt(sum(plm(:,:,:,6:14).^2,4)/NormEll(2)));
elseif LMAX==6
pl=cat(4,sqrt(sum(plm(:,:,:,1:5).^2,4)/NormEll(1)),sqrt(sum(plm(:,:,:,6:14).^2,4)/NormEll(2)),sqrt(sum(plm(:,:,:,15:27).^2,4)/NormEll(3)));
elseif LMAX==8
pl=cat(4,sqrt(sum(plm(:,:,:,1:5).^2,4)/NormEll(1)),sqrt(sum(plm(:,:,:,6:14).^2,4)/NormEll(2)),sqrt(sum(plm(:,:,:,15:27).^2,4)/NormEll(3)),sqrt(sum(plm(:,:,:,28:44).^2,4)/NormEll(4)));
end
end
end
% =================================================================
function [plm,pl] = get_plm_from_Slm_and_kernel(Slm,Lmax,kernel,mask,table_shells,D_FW)
% [plm,pl] = get_plm_from_Slm_and_kernel(Slm,Lmax,kernel,mask,table_shells,D_FW)
% x=rand(1000,7);
% b=[0 1 2 5 6];
% beta=[1 1 1 1 1];
% TE=[0 0 0 0 0];f=x(:,1);
LMAX=max(Lmax);
if LMAX==0
plm=nan;
fprintf('~~~ plm will not be estimated since only S0 is estimated\n')
else
warning('off','MATLAB:illConditionedMatrix')
sz=size(kernel);
if isempty(mask)
mask=true(sz(1:3));
end
% Grab b0 fit
b0=SMI.vectorize(Slm(:,:,:,1,1),mask);
% Grab kernel
kernel=SMI.vectorize(kernel,mask);
f=kernel(1,:);
Da=kernel(2,:);
Depar=kernel(3,:);
Deperp=kernel(4,:);
fw=kernel(5,:);
b=table_shells(1,:);
beta=table_shells(2,:);
TE=table_shells(4,:);
Nshells=length(b);
Nvoxels=length(f);
if length(unique(TE))>1
T2a=kernel(6,:);
T2e=kernel(7,:);
else
T2a=ones(size(f));
T2e=ones(size(f));
TE=zeros(size(TE));
end
x=[f; Da; Depar; Deperp; fw; T2a; T2e]';
Kell=zeros(Nvoxels,Nshells,4);
Kell(:,:,1) = SMI.RotInv_Kell_wFW_b_beta_TE_numerical(2,b,beta,TE,x,D_FW);
if LMAX>=4
Kell(:,:,2) = SMI.RotInv_Kell_wFW_b_beta_TE_numerical(4,b,beta,TE,x,D_FW);
end
if LMAX>=6
Kell(:,:,3) = SMI.RotInv_Kell_wFW_b_beta_TE_numerical(6,b,beta,TE,x,D_FW);
end
if LMAX>=8
Kell(:,:,4) = SMI.RotInv_Kell_wFW_b_beta_TE_numerical(8,b,beta,TE,x,D_FW);
end
Kell=permute(Kell,[2 1 3]);
% Kell=zeros(Nshells,Nvoxels,4);
Slm_all=[];Kl_all=[];ells_all=[];shells_all=[];ells_all_unique=[];
Nlm=Lmax.*(Lmax+3)/2+1;
for jj=1:Nshells
if Lmax(jj)==0
continue
end
Slm_current=SMI.vectorize(Slm(:,:,:,2:Nlm(jj),jj),mask);
current_ells=(2:2:Lmax(jj))/2;
current_ms=(2:2:Lmax(jj))*2+1;
% Kl_current=repelem(squeeze(permute(Kell(jj,:,current_ells),[2 1 3]))',current_ms,1);
Kl_current=squeeze(permute(Kell(jj,:,current_ells),[2 1 3]))';
ells_all=[ells_all repelem(current_ells*2,1,current_ms)];
ells_all_unique=[ells_all_unique current_ells*2];
% ms_all=[ms_all repelem(current_ells,1,current_ms)];
shells_all=[shells_all jj*ones(1,size(Slm_current,1))];
Slm_all=[Slm_all;Slm_current];
Kl_all=[Kl_all;Kl_current];
end
% Normalize Slm with b0 (This step is not valid for
% variable TE data)
Slm_all=Slm_all./b0;
% Getting plm
plm=zeros(max(Nlm)-1,Nvoxels);
plm_limits=[1 (2:2:8).*((2:2:8)+3)/2+1];
for currentL=2:2:LMAX
current_lm_ids=plm_limits(currentL/2):(plm_limits(currentL/2+1)-1);
Kell_current=Kl_all(ells_all_unique==currentL,:);
Sellm_current=Slm_all(ells_all==currentL,:);
NshellsCurrentL=size(Kell_current,1);
for ii=1:Nvoxels
Kellmatrix=[];
for jj=1:NshellsCurrentL
Kellmatrix=[Kellmatrix;Kell_current(jj,ii)*eye(2*currentL+1)];
end
plm(current_lm_ids,ii)=Kellmatrix\Sellm_current(:,ii);
end
end
plm=SMI.vectorize(plm,mask);
NormEll=4*pi*(2*(2:2:8)+1);
NormEll = [1 1 1 1];
if LMAX==2
pl=sqrt(sum(plm(:,:,:,1:5).^2,4)/NormEll(1));
elseif LMAX==4
pl=cat(4,sqrt(sum(plm(:,:,:,1:5).^2,4)/NormEll(1)),sqrt(sum(plm(:,:,:,6:14).^2,4)/NormEll(2)));
elseif LMAX==6
pl=cat(4,sqrt(sum(plm(:,:,:,1:5).^2,4)/NormEll(1)),sqrt(sum(plm(:,:,:,6:14).^2,4)/NormEll(2)),sqrt(sum(plm(:,:,:,15:27).^2,4)/NormEll(3)));
elseif LMAX==8
pl=cat(4,sqrt(sum(plm(:,:,:,1:5).^2,4)/NormEll(1)),sqrt(sum(plm(:,:,:,6:14).^2,4)/NormEll(2)),sqrt(sum(plm(:,:,:,15:27).^2,4)/NormEll(3)),sqrt(sum(plm(:,:,:,28:44).^2,4)/NormEll(4)));
end
end
end
% =================================================================
% =================================================================
% =================================================================
% Maximum likelihood implementation on | Slm(b,beta,TE) - plm*Kl(b,beta,TE) |
function [KERNEL,plm,RESNORM,Niterations] = MaxLikfit_on_Slm(Slm,Lmax,MergeDistance,KernelfODFInitializations,mask,bval,beta,TE,flag_FW,D_FW,CS_phase)
%
%
% [KERNEL,plm,RESNORM,Niterations] = MaxLikfit_on_Slm(Slm,Lmax,MergeDistance,KernelfODFInitializations,mask,bval,beta,TE,flag_FW,D_FW,CS_phase)
%
% Output: KERNEL = [s0 f Da Depar Deperp f_FW T2a T2e p2m]; (as 4D array)
% Output: KERNEL = [s0 f Da Depar Deperp T2a T2e p2m]; (as 4D array)
% Output: KERNEL = [s0 f Da Depar Deperp f_FW p2m]; (as 4D array)
% Output: KERNEL = [s0 f Da Depar Deperp f_FW p2m]; (as 4D array)
if ~isvector(bval)
error('bval should be a vector')
else
bval=bval(:)';
end
if isempty(beta)
beta=zeros(size(bval))+1;
else
beta=beta(:)';
end
if isempty(TE)
TE=zeros(size(bval));
else
TE=TE(:)';
end
if ~exist('D_FW', 'var') || isempty(D_FW)
D_FW = 3;
end
if ~exist('CS_phase', 'var') || isempty(CS_phase)
CS_phase=1;
else
CS_phase=0;
end
if length(unique(TE))==1
do_not_fit_T2=1;
else
do_not_fit_T2=0;
end
[table_4D,~,~] = SMI.Group_dwi_in_shells_b_beta_TE(bval,beta,TE,MergeDistance);
Nshells = size(table_4D,2);
sz_Slm=size(Slm);
if length(sz_Slm)==5
flag_4D_output=1;
elseif length(sz_Slm)==4
flag_4D_output=0;
else
error('Spherical Harmonics must be a 3D or 5D array')
end
if flag_4D_output % Slm are 5D
if isempty(mask)
mask=true(sz_Slm(1:3));
end
SlmNotNormalized = [];
for ii=1:Nshells
SlmNotNormalized = [SlmNotNormalized ; SMI.vectorize(squeeze(Slm(:,:,:,:,ii)),mask)];
end
else
SlmNotNormalized = Slm;
end
max_ellm = 1/2 * (max(Lmax) + 1) * (max(Lmax) + 2);
id_00 = 1:max_ellm:max_ellm*Nshells;
if max_ellm>=2
id_2m = [2:max_ellm:max_ellm*Nshells ; 3:max_ellm:max_ellm*Nshells ; 4:max_ellm:max_ellm*Nshells ; 5:max_ellm:max_ellm*Nshells ; 6:max_ellm:max_ellm*Nshells]';
id_2m = id_2m(:);
L2_used = repmat(Lmax>=2,1,5);
id_pick = [id_00 id_2m(L2_used)'];
else
id_pick = id_00;
end
SlmNotNormalized2fit = SlmNotNormalized(id_pick,:);
ell = [zeros(1,Nshells) , 2*ones(1,5*sum(Lmax>=2))];
table_4D_rep =repmat(table_4D,1,6);
if do_not_fit_T2
table_Klm = [[table_4D(1:2,:), table_4D_rep(1:2,repmat(Lmax>=2,1,5))];ell];
else
table_Klm = [[table_4D([1:2 4],:), table_4D_rep([1:2 4],repmat(Lmax>=2,1,5))];ell];
end
if length(unique(TE))==1
do_not_fit_T2=1;
s0_initialization = SlmNotNormalized(1,:);
else
do_not_fit_T2=0;
ids = 1:max_ellm*Nshells;
bval_S00 = repelem(table_4D(1,:),1,max_ellm);
TE_S00 = repelem(table_4D(4,:),1,max_ellm);
keep_b0s = ismember(ids, id_00) & (bval_S00<0.1);
logb0s = log(abs(SlmNotNormalized(keep_b0s,:)));
TE_b0s = TE_S00(keep_b0s);
coeffs = logb0s'*pinv([ones(length(TE_b0s),1) TE_b0s(:)]');
s0_initialization = exp(coeffs(:,1))';
inf_s0 = ~isfinite(s0_initialization);
s0_initialization(inf_s0) = 2 * SlmNotNormalized(1,inf_s0);
end
if ~exist('KernelfODFInitializations', 'var') || isempty(KernelfODFInitializations)
if flag_FW
kernel_default_x0 = [0.5 2 2 1 0.05];
else
kernel_default_x0 = [0.5 2 2 1];
end
if do_not_fit_T2
KernelfODFInitializations = repmat(kernel_default_x0,length(s0_initialization),1);
else
KernelfODFInitializations = repmat([kernel_default_x0 90 50],length(s0_initialization),1);
end
else
KernelfODFInitializations = SMI.vectorize(KernelfODFInitializations,mask);
end
NkernelParam = 5 + flag_FW + 2*double(~do_not_fit_T2);
NvoxelsMasked=size(SlmNotNormalized,2);
if flag_FW
parfor ii=1:NvoxelsMasked
init = [s0_initialization(ii) ; KernelfODFInitializations(:,ii)];
Slm_not_normalized = SlmNotNormalized2fit(:,ii);
[parameter_hat(:,ii),RESNORM(1,ii),~,exitflag(1,ii),Niterations(1,ii)] = SMI.MaxLik_Slm_fit_SM_withFW_wrapper(Slm_not_normalized, table_Klm, init);
end
else
parfor ii=1:NvoxelsMasked
init = [s0_initialization(ii) ; KernelfODFInitializations(:,ii)];
Slm_not_normalized = SlmNotNormalized2fit(:,ii);
[parameter_hat(:,ii),RESNORM(1,ii),~,exitflag(1,ii),Niterations(1,ii)] = SMI.MaxLik_Slm_fit_SM_withoutFW_wrapper(Slm_not_normalized, table_Klm, init);
end
end
if flag_4D_output %
KERNEL=SMI.vectorize(parameter_hat(1:NkernelParam,:),mask);
plm=SMI.vectorize(parameter_hat((NkernelParam+1):end,:),mask);
RESNORM=SMI.vectorize(RESNORM,mask);
Niterations=SMI.vectorize(Niterations,mask);
end
end
% =================================================================
function [parameter_hat,RESNORM,residual,exitflag,Niterations] = MaxLik_Slm_fit_SM_withFW_wrapper(Slm_not_normalized, table_Klm, init)
%
% Optimiser for SM nonlinear fitting (using Slm energy function)
%
%
% The cost function is currently Least Squares
% Gradient Descent stage
% No gradient specified (finite difference)
% h=optimoptions('lsqnonlin','Algorithm','trust-region-reflective', 'MaxIter',3000,'MaxFunEvals',10000,'TolX',1e-4,'TolFun',1e-5, 'FunValCheck','on', 'Display', 'off','UseParallel',false);
h=optimoptions('lsqnonlin','Algorithm','trust-region-reflective', 'MaxIter',10000,'MaxFunEvals',20000,'TolX',1e-14,'TolFun',1e-14, 'FunValCheck','on', 'Display', 'off','UseParallel',false);
% h=optimoptions('lsqnonlin','Algorithm','levenberg-marquardt', 'MaxIter',10000,'MaxFunEvals',20000,'TolX',1e-20,'TolFun',1e-20, 'FunValCheck','on', 'Display', 'off','UseParallel',false);
LowerBounds=[];%[0 0 0 0 0 0 0];
Dmax=3.5;
UpperBounds=[];%;[2 1 Dmax Dmax Dmax 1 1];
[parameter_hat,RESNORM,residual,exitflag,output,~,~] = lsqnonlin(@(x)SMI.MaxLik_Slm_fit_SM_withFW_fobj(x, table_Klm, Slm_not_normalized), init, LowerBounds,UpperBounds,h);
Niterations=output.iterations;
end
% =================================================================
function residuals = MaxLik_Slm_fit_SM_withFW_fobj(s0_kernel_fODF,table_Klm,Slm)
%
%
D_FW = 3;
ell = table_Klm(end,:);
S0=s0_kernel_fODF(1); Da = s0_kernel_fODF(3); Depar = s0_kernel_fODF(4); Deperp = s0_kernel_fODF(5); %p2 = s0_kernel_fODF(7);
f = s0_kernel_fODF(2);
f_FW = s0_kernel_fODF(6);
if size(table_Klm,1)==3
TEs = zeros(1,size(table_Klm,2));
T2a = 100; T2e = 100;
if length(s0_kernel_fODF)==6
plm = [];
else
plm = s0_kernel_fODF(7:end);
end
else
TEs = table_Klm(3,:);
T2a = s0_kernel_fODF(7); T2e = s0_kernel_fODF(8);
if length(s0_kernel_fODF)==8
plm = [];
else
plm = s0_kernel_fODF(9:end);
end
end
K0_all = SMI.RotInv_Kell_wFW_b_beta_TE_numerical(0,table_Klm(1,:),table_Klm(2,:),TEs,[f, Da, Depar, Deperp, f_FW, T2a, T2e],D_FW);
K2_all = SMI.RotInv_Kell_wFW_b_beta_TE_numerical(2,table_Klm(1,:),table_Klm(2,:),TEs,[f, Da, Depar, Deperp, f_FW, T2a, T2e],D_FW);
p2m = plm(1:5);
NshellsL0 = sum(ell==0);
NshellsL2 = sum(ell==2)/5;
S00_pred = S0*K0_all(ell==0);
K2m = K2_all(ell==2);
S2m_pred = S0*K2m.*repelem(p2m(:)',1,NshellsL2);
Slm_pred = [ S00_pred S2m_pred ];
% No weights - plain Slm differences
residuals = (Slm(:)' - Slm_pred)';
residuals(~isfinite(residuals))=1e5;
end
% =================================================================
function [parameter_hat,RESNORM,residual,exitflag,Niterations] = MaxLik_Slm_fit_SM_withoutFW_wrapper(Slm_not_normalized, table_Klm, init)
%
% Optimiser for SM nonlinear fitting (using Slm energy function)
%
%
% The cost function is currently Least Squares
% Gradient Descent stage
% No gradient specified (finite difference)
% h=optimoptions('lsqnonlin','Algorithm','trust-region-reflective', 'MaxIter',3000,'MaxFunEvals',10000,'TolX',1e-4,'TolFun',1e-5, 'FunValCheck','on', 'Display', 'off','UseParallel',false);
h=optimoptions('lsqnonlin','Algorithm','trust-region-reflective', 'MaxIter',10000,'MaxFunEvals',20000,'TolX',1e-14,'TolFun',1e-14, 'FunValCheck','on', 'Display', 'off','UseParallel',false);
% h=optimoptions('lsqnonlin','Algorithm','levenberg-marquardt', 'MaxIter',10000,'MaxFunEvals',20000,'TolX',1e-20,'TolFun',1e-20, 'FunValCheck','on', 'Display', 'off','UseParallel',false);
LowerBounds=[];%[0 0 0 0 0 0 0];
Dmax=3.5;
UpperBounds=[];%;[2 1 Dmax Dmax Dmax 1 1];
[parameter_hat,RESNORM,residual,exitflag,output,~,~] = lsqnonlin(@(x)SMI.MaxLik_Slm_fit_SM_withoutFW_fobj(x, table_Klm, Slm_not_normalized), init, LowerBounds,UpperBounds,h);
Niterations=output.iterations;
end
% =================================================================
function residuals = MaxLik_Slm_fit_SM_withoutFW_fobj(s0_kernel_fODF,table_Klm,Slm)
%
%
D_FW = 3;
ell = table_Klm(end,:);
S0=s0_kernel_fODF(1); f = s0_kernel_fODF(2); Da = s0_kernel_fODF(3); Depar = s0_kernel_fODF(4); Deperp = s0_kernel_fODF(5); %p2 = s0_kernel_fODF(7);
if size(table_Klm,1)==3
TEs = zeros(1,size(table_Klm,2));
T2a = 100; T2e = 100;
if length(s0_kernel_fODF)==5
plm = [];
else
plm = s0_kernel_fODF(6:end);
end
else
TEs = table_Klm(3,:);
T2a = s0_kernel_fODF(6); T2e = s0_kernel_fODF(7);
if length(s0_kernel_fODF)==7
plm = [];
else
plm = s0_kernel_fODF(8:end);
end
end
K0_all = SMI.RotInv_Kell_wFW_b_beta_TE_numerical(0,table_Klm(1,:),table_Klm(2,:),TEs,[f, Da, Depar, Deperp, 0*f, T2a, T2e],D_FW);
K2_all = SMI.RotInv_Kell_wFW_b_beta_TE_numerical(2,table_Klm(1,:),table_Klm(2,:),TEs,[f, Da, Depar, Deperp, 0*f, T2a, T2e],D_FW);
p2m = plm(1:5); % Normalized plm are estimated here
NshellsL0 = sum(ell==0);
NshellsL2 = sum(ell==2)/5;
S00_pred = S0*K0_all(ell==0);
K2m = K2_all(ell==2);
S2m_pred = S0*K2m.*repelem(p2m(:)',1,NshellsL2);
Slm_pred = [ S00_pred S2m_pred ];
% No weights - plain Slm differences
residuals = (Slm(:)' - Slm_pred)';
residuals(~isfinite(residuals))=1e5;
end
% =================================================================
% =================================================================
% =================================================================
function [EPSILON,plm_rect,pl_rect] = Compute_eps_ODF_rectification(plm,CS_phase)
% [EPSILON,plm_rect,pl_rect] = Compute_eps_ODF_rectification(plm,CS_phase)
%
% plm must be [Nlm x Nreps]
if nargin==1 || isempty(CS_phase) || ~exist('CS_phase','var') || CS_phase
CS_phase=1;
end
Nodfs=size(plm,2);
%%%%%%% leb = getLebedevSphere(4334);
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Nlm=size(plm,1);
Lmax=sqrt(2*Nlm+9/4)-3/2;
Ylm_n = SMI.get_even_SH(dirs,Lmax,CS_phase);
EPSILON=zeros(size(plm,2),1);
plm_rect_all=zeros(Nlm,Nodfs);
options=optimset('MaxIter',1000,'TolFun',1e-5);
for ii=1:Nodfs
% Get epsilon from a 1D optimization
ObjFun=@(epsilon)abs(leb_weights*(abs(Ylm_n*[1/sqrt(4*pi);plm(:,ii)]-epsilon)-Ylm_n*[1/sqrt(4*pi);plm(:,ii)]-epsilon));
EPSILON(ii) = fminsearch(ObjFun,0.1,options);
% Get rectified plm and pl
rect_odf=1/2*(abs(Ylm_n*[1/sqrt(4*pi);plm(:,ii)]-EPSILON(ii))+Ylm_n*[1/sqrt(4*pi);plm(:,ii)]-EPSILON(ii));
plm_rect=leb_weights*(rect_odf.*Ylm_n);
plm_rect=plm_rect(2:end);