def test_standalone_functions(): # WLS procedure params = wls_fit_tensor(gtab_2s, DWI) assert_array_almost_equal(params[..., 12], GTF) fa = fractional_anisotropy(params[..., :3]) assert_array_almost_equal(fa, FAref) # NLS procedure params = nls_fit_tensor(gtab_2s, DWI) assert_array_almost_equal(params[..., 12], GTF) fa = fractional_anisotropy(params[..., :3]) assert_array_almost_equal(fa, FAref)
def nls_fit_fwdki(design_matrix, design_matrix_dki, data, S0, params=None, Diso=3e-3, f_transform=True, mdreg=2.7e-3): """ Fit the water elimination DKI model using the non-linear least-squares. Parameters ---------- design_matrix : array (g, 22) Design matrix holding the covariants used to solve for the regression coefficients. data : ndarray ([X, Y, Z, ...], g) Data or response variables holding the data. Note that the last dimension should contain the data. It makes no copies of data. S0 : ndarray ([X, Y, Z]) A first guess of the non-diffusion signal S0. params : ndarray ([X, Y, Z, ...], 28), optional A first model parameters guess (3 eigenvalues, 3 coordinates of 3 eigenvalues, 15 elements of the kurtosis tensor and the volume fraction of the free water compartment). If the initial params are not given, for the diffusion and kurtosis tensor parameters, its initial guess is obtain from the standard DKI model, while for the free water fraction its value is estimated using the fwDTI model. Default: None Diso : float, optional Value of the free water isotropic diffusion. Default is set to 3e-3 $mm^{2}.s^{-1}$. Please ajust this value if you are assuming different units of diffusion. f_transform : bool, optional If true, the water volume fractions is converted during the convergence procedure to ft = arcsin(2*f - 1) + pi/2, insuring f estimates between 0 and 1. Default: True mdreg : float, optimal DTI's mean diffusivity regularization threshold. If standard DTI diffusion tensor's mean diffusivity is almost near the free water diffusion value, the diffusion signal is assumed to be only free water diffusion (i.e. volume fraction will be set to 1 and tissue's diffusion parameters are set to zero). Default md_reg is 2.7e-3 $mm^{2}.s^{-1}$ (corresponding to 90% of the free water diffusion value). Returns ------- fw_params : ndarray (x, y, z, 28) Matrix containing in the dimention the free water model parameters in the following order: 1) Three diffusion tensor's eigenvalues 2) Three lines of the eigenvector matrix each containing the first, second and third coordinates of the eigenvector 3) Fifteen elements of the kurtosis tensor 4) The volume fraction of the free water compartment S0 : ndarray (x, y, z) The models estimate of the non diffusion-weighted signal S0. """ # preparing data and initializing parameters data = np.asarray(data) data_flat = np.reshape(data, (-1, data.shape[-1])) S0out = S0.copy() S0out = S0out.ravel() # Computing WLS DTI solution for MD regularization dtiparams = dti.wls_fit_tensor(design_matrix, data_flat) md = dti.mean_diffusivity(dtiparams[..., :3]) cond = md > mdreg # removal condition data_cond = data_flat[~cond, :] # Initializing fw_params according to selected initial guess if np.any(params) is None: params_out = np.zeros((len(data_flat), 28)) dkiparams = dki.wls_fit_dki(design_matrix_dki, data_flat) fweparams, sd = fwdti.wls_fit_tensor(design_matrix, data_flat, S0=S0, Diso=Diso, mdreg=2.7e-3) params_out[:, 0:27] = dkiparams params_out[:, 27] = fweparams[:, 12] else: params_out = params.copy() params_out = np.reshape(params_out, (-1, params_out.shape[-1])) params_cond = params_out[~cond, :] S0_cond = S0out[~cond] for vox in range(data_cond.shape[0]): if np.all(data_cond[vox] == 0): raise ValueError("The data in this voxel contains only zeros") params = params_cond[vox] # converting evals and evecs to diffusion tensor elements evals = params[:3] evecs = params[3:12].reshape((3, 3)) dt = lower_triangular(vec_val_vect(evecs, evals)) kt = params[..., 12:27] s0 = S0_cond[vox] MD = evals.mean() # f transformation if requested if f_transform: f = np.arcsin(2*params[27] - 1) + np.pi/2 else: f = params[27] # Use the Levenberg-Marquardt algorithm wrapped in opt.leastsq start_params = np.concatenate((dt, kt*MD*MD, [np.log(s0), f]), axis=0) this_tensor, status = opt.leastsq(_nls_err_func, start_params, args=(design_matrix_dki, data_cond[vox], Diso, f_transform)) # Invert f transformation if this was requested if f_transform: this_tensor[22] = 0.5 * (1 + np.sin(this_tensor[22] - np.pi/2)) # The parameters are the evals and the evecs: evals, evecs = decompose_tensor(from_lower_triangular(this_tensor[:6])) MD = evals.mean() params_cond[vox, :3] = evals params_cond[vox, 3:12] = evecs.ravel() params_cond[vox, 12:27] = this_tensor[6:21] / (MD ** 2) params_cond[vox, 27] = this_tensor[22] S0_cond[vox] = np.exp(-this_tensor[21]) params_out[~cond, :] = params_cond params_out[cond, 27] = 1 # Only free water params_out = np.reshape(params_out, (data.shape[:-1]) + (28,)) S0out[~cond] = S0_cond S0out[cond] = \ np.mean(data_flat[cond, :] / \ np.exp(np.dot(design_matrix[..., :6], np.array([Diso, 0, Diso, 0, 0, Diso]))), -1) # Only free water S0out = S0out.reshape(data.shape[:-1]) return params_out, S0out
def nls_fit_fwdki(design_matrix, design_matrix_dki, data, S0, params=None, Diso=3e-3, f_transform=True, mdreg=2.7e-3): """ Fit the water elimination DKI model using the non-linear least-squares. Parameters ---------- design_matrix : array (g, 22) Design matrix holding the covariants used to solve for the regression coefficients. data : ndarray ([X, Y, Z, ...], g) Data or response variables holding the data. Note that the last dimension should contain the data. It makes no copies of data. S0 : ndarray ([X, Y, Z]) A first guess of the non-diffusion signal S0. params : ndarray ([X, Y, Z, ...], 28), optional A first model parameters guess (3 eigenvalues, 3 coordinates of 3 eigenvalues, 15 elements of the kurtosis tensor and the volume fraction of the free water compartment). If the initial params are not given, for the diffusion and kurtosis tensor parameters, its initial guess is obtain from the standard DKI model, while for the free water fraction its value is estimated using the fwDTI model. Default: None Diso : float, optional Value of the free water isotropic diffusion. Default is set to 3e-3 $mm^{2}.s^{-1}$. Please ajust this value if you are assuming different units of diffusion. f_transform : bool, optional If true, the water volume fractions is converted during the convergence procedure to ft = arcsin(2*f - 1) + pi/2, insuring f estimates between 0 and 1. Default: True mdreg : float, optimal DTI's mean diffusivity regularization threshold. If standard DTI diffusion tensor's mean diffusivity is almost near the free water diffusion value, the diffusion signal is assumed to be only free water diffusion (i.e. volume fraction will be set to 1 and tissue's diffusion parameters are set to zero). Default md_reg is 2.7e-3 $mm^{2}.s^{-1}$ (corresponding to 90% of the free water diffusion value). Returns ------- fw_params : ndarray (x, y, z, 28) Matrix containing in the dimention the free water model parameters in the following order: 1) Three diffusion tensor's eigenvalues 2) Three lines of the eigenvector matrix each containing the first, second and third coordinates of the eigenvector 3) Fifteen elements of the kurtosis tensor 4) The volume fraction of the free water compartment S0 : ndarray (x, y, z) The models estimate of the non diffusion-weighted signal S0. """ # preparing data and initializing parameters data = np.asarray(data) data_flat = np.reshape(data, (-1, data.shape[-1])) S0out = S0.copy() S0out = S0out.ravel() # Computing WLS DTI solution for MD regularization dtiparams = dti.wls_fit_tensor(design_matrix, data_flat) md = dti.mean_diffusivity(dtiparams[..., :3]) cond = md > mdreg # removal condition data_cond = data_flat[~cond, :] # Initializing fw_params according to selected initial guess if np.any(params) is None: params_out = np.zeros((len(data_flat), 28)) dkiparams = dki.wls_fit_dki(design_matrix_dki, data_flat) fweparams, sd = fwdti.wls_fit_tensor(design_matrix, data_flat, S0=S0, Diso=Diso, mdreg=2.7e-3) params_out[:, 0:27] = dkiparams params_out[:, 27] = fweparams[:, 12] else: params_out = params.copy() params_out = np.reshape(params_out, (-1, params_out.shape[-1])) params_cond = params_out[~cond, :] S0_cond = S0out[~cond] for vox in range(data_cond.shape[0]): if np.all(data_cond[vox] == 0): raise ValueError("The data in this voxel contains only zeros") params = params_cond[vox] # converting evals and evecs to diffusion tensor elements evals = params[:3] evecs = params[3:12].reshape((3, 3)) dt = lower_triangular(vec_val_vect(evecs, evals)) kt = params[..., 12:27] s0 = S0_cond[vox] MD = evals.mean() # f transformation if requested if f_transform: f = np.arcsin(2 * params[27] - 1) + np.pi / 2 else: f = params[27] # Use the Levenberg-Marquardt algorithm wrapped in opt.leastsq start_params = np.concatenate((dt, kt * MD * MD, [np.log(s0), f]), axis=0) this_tensor, status = opt.leastsq(_nls_err_func, start_params, args=(design_matrix_dki, data_cond[vox], Diso, f_transform)) # Invert f transformation if this was requested if f_transform: this_tensor[22] = 0.5 * (1 + np.sin(this_tensor[22] - np.pi / 2)) # The parameters are the evals and the evecs: evals, evecs = decompose_tensor(from_lower_triangular(this_tensor[:6])) MD = evals.mean() params_cond[vox, :3] = evals params_cond[vox, 3:12] = evecs.ravel() params_cond[vox, 12:27] = this_tensor[6:21] / (MD**2) params_cond[vox, 27] = this_tensor[22] S0_cond[vox] = np.exp(-this_tensor[21]) params_out[~cond, :] = params_cond params_out[cond, 27] = 1 # Only free water params_out = np.reshape(params_out, (data.shape[:-1]) + (28, )) S0out[~cond] = S0_cond S0out[cond] = \ np.mean(data_flat[cond, :] / \ np.exp(np.dot(design_matrix[..., :6], np.array([Diso, 0, Diso, 0, 0, Diso]))), -1) # Only free water S0out = S0out.reshape(data.shape[:-1]) return params_out, S0out