diff --git a/fastcan/_fastcan.py b/fastcan/_fastcan.py index b5e99cd..611d9d4 100644 --- a/fastcan/_fastcan.py +++ b/fastcan/_fastcan.py @@ -117,6 +117,7 @@ class FastCan(SelectorMixin, BaseEstimator): def __init__( self, n_features_to_select=1, + *, indices_include=None, indices_exclude=None, eta=False, diff --git a/fastcan/_minibatch.py b/fastcan/_minibatch.py index b879687..f01879b 100644 --- a/fastcan/_minibatch.py +++ b/fastcan/_minibatch.py @@ -11,7 +11,7 @@ from sklearn.utils.validation import check_X_y from ._cancorr_fast import _forward_search # type: ignore -from ._fastcan import FastCan, _prepare_search +from ._fastcan import _prepare_search @validate_params( @@ -26,7 +26,7 @@ ], "verbose": ["verbose"], }, - prefer_skip_nested_validation=False, + prefer_skip_nested_validation=True, ) def minibatch(X, y, n_features_to_select=1, batch_size=1, verbose=1): """Feature selection using :class:`fastcan.FastCan` with mini batches. @@ -34,9 +34,13 @@ def minibatch(X, y, n_features_to_select=1, batch_size=1, verbose=1): It is suitable for selecting a very large number of features even larger than the number of samples. - Similar to the correlation filter which selects each feature without considering - the redundancy, the function selects features in mini-batch and the - redundancy between the two mini-batches will be ignored. + The function splits `n_features_to_select` into `n_outputs` parts and selects + features for each part separately, ignoring the redundancy among outputs. + In each part, the function selects features batch-by-batch. The batch size is less + than or equal to `batch_size`. + Like correlation filters, which select features one-by-one without considering + the redundancy between two features, the function ignores the redundancy between + two mini-batches. Parameters ---------- @@ -70,7 +74,7 @@ def minibatch(X, y, n_features_to_select=1, batch_size=1, verbose=1): >>> print(f"Indices: {indices}") Indices: [0 1 2] """ - X, y = check_X_y(X, y, ensure_2d=True, multi_output=True) + X, y = check_X_y(X, y, ensure_2d=True, multi_output=True, order="F") if y.ndim == 1: y = y.reshape(-1, 1) @@ -90,41 +94,35 @@ def minibatch(X, y, n_features_to_select=1, batch_size=1, verbose=1): 0, n_features_to_select, num=n_outputs + 1, endpoint=True, dtype=int ) ) + X_transformed_ = X - X.mean(0) + y_transformed_ = y - y.mean(0) + indices_include = np.zeros(0, dtype=int) # just an empty array indices_select = np.zeros(0, dtype=int) + for i in range(n_outputs): - y_i = y[:, i] - batch_split_i = np.diff( - np.r_[ - np.arange(n_to_select_split[i], step=batch_size, dtype=int), - n_to_select_split[i], - ] - ) - for j, batch_size_j in enumerate(batch_split_i): - if j == 0: - selector_j = FastCan( - batch_size_j, indices_exclude=indices_select, verbose=0 - ).fit(X, y_i) - X_transformed_ = deepcopy(selector_j.X_transformed_) - indices = selector_j.indices_ - else: - indices, scores, mask = _prepare_search( - n_features, - batch_size_j, - selector_j.indices_include_, - np.r_[selector_j.indices_exclude_, indices_select], - ) - _forward_search( - X=X_transformed_, - V=selector_j.y_transformed_, - t=batch_size_j, - tol=selector_j.tol, - num_threads=n_threads, - verbose=0, - mask=mask, - indices=indices, - scores=scores, - ) + y_i = y_transformed_[:, [i]] + n_selected_i = 0 + while n_to_select_split[i] > n_selected_i: + batch_size_temp = min(batch_size, n_to_select_split[i] - n_selected_i) + indices, scores, mask = _prepare_search( + n_features, + batch_size_temp, + indices_include, + indices_select, + ) + _forward_search( + X=deepcopy(X_transformed_), + V=y_i, + t=batch_size_temp, + tol=0.01, + num_threads=n_threads, + verbose=0, + mask=mask, + indices=indices, + scores=scores, + ) indices_select = np.r_[indices_select, indices] + n_selected_i += batch_size_temp if verbose == 1: print( f"Progress: {indices_select.size}/{n_features_to_select}", end="\r" diff --git a/meson.build b/meson.build index 38594de..20c67d8 100644 --- a/meson.build +++ b/meson.build @@ -1,7 +1,7 @@ project( 'fastcan', 'c', 'cython', - 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__osx >=11.0 - libzlib >=1.2.13,<2.0.0a0 + arch: arm64 + platform: osx license: BSD-3-Clause license_family: BSD purls: [] diff --git a/pyproject.toml b/pyproject.toml index 9b6d9d0..fe200ef 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,6 +1,6 @@ [project] name = "fastcan" -version = "0.3.1" +version = "0.3.2" description = "A fast canonical-correlation-based feature selection method" authors = [ { name = "Matthew Sikai Zhang", email = "matthew.szhang91@gmail.com" }, @@ -89,8 +89,9 @@ compilers = "*" compilers = "*" [tool.pixi.tasks] -time-h = "python -m timeit -n 5 -s 'import numpy as np; from fastcan import FastCan; X = np.random.rand(3000, 100); y = np.random.rand(3000, 20)' 's = FastCan(100, verbose=0).fit(X, y)'" -time-eta = "python -m timeit -n 5 -s 'import numpy as np; from fastcan import FastCan; X = np.random.rand(3000, 100); y = np.random.rand(3000, 20)' 's = FastCan(100, eta=True, verbose=0).fit(X, y)'" +time-h = "python -m timeit -n 5 -s 'import numpy as np; from fastcan import FastCan; X = np.random.rand(3000, 100); y = np.random.rand(3000, 20); s = FastCan(100, verbose=0).fit(X, y)'" +time-eta = "python -m timeit -n 5 -s 'import numpy as np; from fastcan import FastCan; X = np.random.rand(3000, 100); y = np.random.rand(3000, 20); s = FastCan(100, eta=True, verbose=0).fit(X, y)'" +profile-minibatch = { cmd = '''python -c "import cProfile; import numpy as np; from fastcan import minibatch; X = np.random.rand(100, 3000); y = np.random.rand(100, 20); cProfile.run('minibatch(X, y, 1000, 10, verbose=0)', sort='$SORT')"''', env = { SORT = "cumtime" } } [tool.pixi.feature.test.tasks] test = { cmd = "pytest", cwd = "tests" } @@ -117,10 +118,10 @@ doc-clean = { cmd = "rm -rf $BUILDDIR generated auto_examples", cwd = "doc", env [tool.pixi.feature.nogil.tasks] nogil-build = { cmd = "uv pip install --editable . --verbose --no-build-isolation --config-settings editable-verbose=true" } -nogil-h = { cmd = "python -Xgil=0 -m timeit -n 5 -s 'import numpy as np; from fastcan import FastCan; X = np.random.rand(3000, 100); y = np.random.rand(3000, 20)' 's = FastCan(100, verbose=0).fit(X, y)'", depends-on = [ +nogil-h = { cmd = "python -Xgil=0 -m timeit -n 5 -s 'import numpy as np; from fastcan import FastCan; X = np.random.rand(3000, 100); y = np.random.rand(3000, 20); s = FastCan(100, verbose=0).fit(X, y)'", depends-on = [ "nogil-build", ] } -nogil-eta = { cmd = "python -Xgil=0 -m timeit -n 5 -s 'import numpy as np; from fastcan import FastCan; X = np.random.rand(3000, 100); y = np.random.rand(3000, 20)' 's = FastCan(100, eta=True, verbose=0).fit(X, y)'", depends-on = [ +nogil-eta = { cmd = "python -Xgil=0 -m timeit -n 5 -s 'import numpy as np; from fastcan import FastCan; X = np.random.rand(3000, 100); y = np.random.rand(3000, 20); s = FastCan(100, eta=True, verbose=0).fit(X, y)'", depends-on = [ "nogil-build", ] }