ENH: Add bold realignment notebook (ISMRM'25 Experiment 2)

pyproject.toml

@@ -76,6 +76,8 @@ test = [
 
 antsopt = [
     "ConfigSpace",
+    "nipreps",
+    "skimage",
     "smac",
 ]
 

src/eddymotion/data/dmri.py

@@ -1,7 +1,7 @@
 # emacs: -*- mode: python; py-indent-offset: 4; indent-tabs-mode: nil -*-
 # vi: set ft=python sts=4 ts=4 sw=4 et:
 #
-# Copyright 2022 The NiPreps Developers <[email protected]>
+# Copyright The NiPreps Developers <[email protected]>
 #
 # Licensed under the Apache License, Version 2.0 (the "License");
 # you may not use this file except in compliance with the License.

src/eddymotion/estimator.py

@@ -39,7 +39,7 @@
 
     @staticmethod
     def estimate(
-        dwdata,
+        data,
         *,
         align_kwargs=None,
         iter_kwargs=None,
@@ -53,7 +53,7 @@
 
         Parameters
         ----------
-        dwdata : :obj:`~eddymotion.dmri.DWI`
+        data : :obj:`~eddymotion.dmri.DWI`
             The target DWI dataset, represented by this tool's internal
             type. The object is used in-place, and will contain the estimated
             parameters in its ``em_affines`` property, as well as the rotated
@@ -88,7 +88,7 @@
             "seed": None,
             "bvals": None,  # TODO: extract b-vals here if pertinent
         } | iter_kwargs
-        iter_kwargs["size"] = len(dwdata)
+        iter_kwargs["size"] = len(data)
 
         iterfunc = getattr(eutils, f'{iter_kwargs.pop("strategy", "random")}_iterator')
         index_order = list(iterfunc(**iter_kwargs))
@@ -107,9 +107,9 @@
 
         for i_iter, model in enumerate(models):
             # When downsampling these need to be set per-level
-            bmask_img = _prepare_brainmask_data(dwdata.brainmask, dwdata.affine)
+            bmask_img = _prepare_brainmask_data(data.brainmask, data.affine)
 
-            _prepare_kwargs(dwdata, kwargs)
+            _prepare_kwargs(data, kwargs)
 
             single_model = model.lower() in (
                 "b0",
@@ -130,7 +130,7 @@
                     model=model,
                     **kwargs,
                 )
-                dwmodel.fit(dwdata.dataobj, n_jobs=n_jobs)
+                dwmodel.fit(data.dataobj, n_jobs=n_jobs)
 
             with TemporaryDirectory() as tmp_dir:
                 print(f"Processing in <{tmp_dir}>")
@@ -141,12 +141,12 @@
                         pbar.set_description_str(
                             f"Pass {i_iter + 1}/{n_iter} | Fit and predict b-index <{i}>"
                         )
-                        data_train, data_test = lovo_split(dwdata, i, with_b0=True)
+                        data_train, data_test = lovo_split(data, i, with_b0=True)
                         grad_str = f"{i}, {data_test[1][:3]}, b={int(data_test[1][3])}"
                         pbar.set_description_str(f"[{grad_str}], {n_jobs} jobs")
 
                         if not single_model:  # A true LOGO estimator
-                            if hasattr(dwdata, "gradients"):
+                            if hasattr(data, "gradients"):
                                 kwargs["gtab"] = data_train[1]
                             # Factory creates the appropriate model and pipes arguments
                             dwmodel = ModelFactory.init(
@@ -166,7 +166,7 @@
 
                         # prepare data for running ANTs
                         fixed, moving = _prepare_registration_data(
-                            data_test[0], predicted, dwdata.affine, i, ptmp_dir, reg_target_type
+                            data_test[0], predicted, data.affine, i, ptmp_dir, reg_target_type
                         )
 
                         pbar.set_description_str(
@@ -177,11 +177,11 @@
                             fixed,
                             moving,
                             bmask_img,
-                            dwdata.em_affines,
-                            dwdata.affine,
-                            dwdata.dataobj.shape[:3],
+                            data.em_affines,
+                            data.affine,
+                            data.dataobj.shape[:3],
                             data_test[1][3],
-                            dwdata.fieldmap,
+                            data.fieldmap,
                             i_iter,
                             i,
                             ptmp_dir,
@@ -190,10 +190,10 @@
                         )
 
                         # update
-                        dwdata.set_transform(i, xform.matrix)
+                        data.set_transform(i, xform.matrix)
                         pbar.update()
 
-        return dwdata.em_affines
+        return data.em_affines
 
 
 def _prepare_brainmask_data(brainmask, affine):
@@ -219,7 +219,7 @@
     return bmask_img
 
 
-def _prepare_kwargs(dwdata, kwargs):
+def _prepare_kwargs(data, kwargs):
     """Prepare the keyword arguments depending on the DWI data: add attributes corresponding to
     the ``brainmask``, ``bzero``, ``gradients``, ``frame_time``, and ``total_duration`` DWI data
     properties.
@@ -228,24 +228,24 @@
 
     Parameters
     ----------
-    dwdata : :class:`eddymotion.data.dmri.DWI`
+    data : :class:`eddymotion.data.dmri.DWI`
         DWI data object.
     kwargs : :obj:`dict`
         Keyword arguments.
     """
     from eddymotion.data.filtering import advanced_clip as _advanced_clip
 
-    if dwdata.brainmask is not None:
-        kwargs["mask"] = dwdata.brainmask
+    if data.brainmask is not None:
+        kwargs["mask"] = data.brainmask
 
-    if hasattr(dwdata, "bzero") and dwdata.bzero is not None:
-        kwargs["S0"] = _advanced_clip(dwdata.bzero)
+    if hasattr(data, "bzero") and data.bzero is not None:
+        kwargs["S0"] = _advanced_clip(data.bzero)
 
-    if hasattr(dwdata, "gradients"):
-        kwargs["gtab"] = dwdata.gradients
+    if hasattr(data, "gradients"):
+        kwargs["gtab"] = data.gradients
 
-    if hasattr(dwdata, "frame_time"):
-        kwargs["timepoints"] = dwdata.frame_time
+    if hasattr(data, "frame_time"):
+        kwargs["timepoints"] = data.frame_time
 
-    if hasattr(dwdata, "total_duration"):
-        kwargs["xlim"] = dwdata.total_duration
+    if hasattr(data, "total_duration"):
+        kwargs["xlim"] = data.total_duration

src/eddymotion/model/gpr.py

@@ -104,11 +104,12 @@ class EddyMotionGPR(GaussianProcessRegressor):
         The reason for that is that such methods typically use fewer steps, and
         when the cost of calculating the derivatives is small/moderate compared
         to calculating the functions itself (as is the case for Eq. (12)) then
-        execution time can be much shorter. However, we found that for the
-        multi-shell case a heuristic optimisation method such as the Nelder-Mead
-        simplex method (Nelder and Mead, 1965) was frequently better at avoiding
-        local maxima. Hence, that was the method we used for all optimisations
-        in the present paper.
+        execution time can be much shorter.
+        However, we found that for the multi-shell case a heuristic optimisation
+        method such as the Nelder-Mead simplex method (Nelder and Mead, 1965) was
+        frequently better at avoiding local maxima.
+        Hence, that was the method we used for all optimisations in the present
+        paper.
 
     **Multi-shell regression (TODO).**
     For multi-shell modeling, the kernel :math:`k(\textbf{x}, \textbf{x'})`
@@ -135,8 +136,10 @@ class EddyMotionGPR(GaussianProcessRegressor):
         \mathbf{K} = \left[
         \begin{matrix}
             \lambda C_{\theta}(\theta (\mathbf{G}_{1}); a) + \sigma_{1}^{2} \mathbf{I} &
-            \lambda C_{\theta}(\theta (\mathbf{G}_{2}, \mathbf{G}_{1}); a) C_{b}(b_{2}, b_{1}; \ell) \\
-            \lambda C_{\theta}(\theta (\mathbf{G}_{1}, \mathbf{G}_{2}); a) C_{b}(b_{1}, b_{2}; \ell) &
+            \lambda C_{\theta}(\theta (\mathbf{G}_{2},
+              \mathbf{G}_{1}); a) C_{b}(b_{2}, b_{1}; \ell) \\
+            \lambda C_{\theta}(\theta (\mathbf{G}_{1}, \mathbf{G}_{2});
+              a) C_{b}(b_{1}, b_{2}; \ell) &
             \lambda C_{\theta}(\theta (\mathbf{G}_{2}); a) + \sigma_{2}^{2} \mathbf{I} \\
         \end{matrix}
         \right]

test/test_integration.py

@@ -30,13 +30,15 @@
 
 from eddymotion.data.dmri import DWI
 from eddymotion.estimator import EddyMotionEstimator
+from eddymotion.registration.utils import displacements_within_mask
 
 
-def test_proximity_estimator_trivial_model(datadir):
+def test_proximity_estimator_trivial_model(datadir, tmp_path):
     """Check the proximity of transforms estimated by the estimator with a trivial B0 model."""
 
     dwdata = DWI.from_filename(datadir / "dwi.h5")
     b0nii = nb.Nifti1Image(dwdata.bzero, dwdata.affine, None)
+    masknii = nb.Nifti1Image(dwdata.brainmask.astype(np.uint8), dwdata.affine, None)
 
     # Generate a list of large-yet-plausible bulk-head motion.
     xfms = nt.linear.LinearTransformsMapping(
@@ -56,8 +58,8 @@ def test_proximity_estimator_trivial_model(datadir):
     moved_nii = (~xfms).apply(b0nii, reference=b0nii)
 
     # Uncomment to see the moved dataset
-    # moved_nii.to_filename(tmp_path / "test.nii.gz")
-    # xfms.apply(moved_nii).to_filename(tmp_path / "ground_truth.nii.gz")
+    moved_nii.to_filename(tmp_path / "test.nii.gz")
+    xfms.apply(moved_nii).to_filename(tmp_path / "ground_truth.nii.gz")
 
     # Wrap into dataset object
     dwi_motion = DWI(
@@ -70,7 +72,7 @@ def test_proximity_estimator_trivial_model(datadir):
 
     estimator = EddyMotionEstimator()
     em_affines = estimator.estimate(
-        dwdata=dwi_motion,
+        data=dwi_motion,
         models=("b0",),
         seed=None,
         align_kwargs={
@@ -81,14 +83,18 @@ def test_proximity_estimator_trivial_model(datadir):
     )
 
     # Uncomment to see the realigned dataset
-    # nt.linear.LinearTransformsMapping(
-    #     em_affines,
-    #     reference=b0nii,
-    # ).apply(moved_nii).to_filename(tmp_path / "realigned.nii.gz")
+    nt.linear.LinearTransformsMapping(
+        em_affines,
+        reference=b0nii,
+    ).apply(moved_nii).to_filename(tmp_path / "realigned.nii.gz")
 
     # For each moved b0 volume
-    coords = xfms.reference.ndcoords.T
     for i, est in enumerate(em_affines):
-        xfm = nt.linear.Affine(xfms.matrix[i], reference=b0nii)
-        est = nt.linear.Affine(est, reference=b0nii)
-        assert np.sqrt(((xfm.map(coords) - est.map(coords)) ** 2).sum(1)).mean() < 0.2
+        assert (
+            displacements_within_mask(
+                masknii,
+                nt.linear.Affine(est),
+                xfms[i],
+            ).max()
+            < 0.2
+        )