From 4d18ae8777d80583c2ab8e696174302a67d424e5 Mon Sep 17 00:00:00 2001 From: Martin Stancsics Date: Wed, 29 Jan 2025 20:06:17 +0100 Subject: [PATCH] Revert "Revert everything to last successful build" This reverts commit 49d13cf2f25dbe7dd1948a24db4ff7deae60c463. --- ...nux_64_python3.13_default.____cpython.yaml | 14 + ...osx_64_python3.13_default.____cpython.yaml | 19 + .../osx_arm64_python3.13.____cpython.yaml | 18 + .../win_64_python3.13.____cpython.yaml | 10 + .github/CODEOWNERS | 2 +- .readthedocs.yml | 2 +- CHANGELOG.rst | 14 +- build_tools/prepare_macos_wheel.sh | 11 - docs/api.rst | 2 + pixi.lock | 22429 +++++++--------- pixi.toml | 27 +- pyproject.toml | 9 +- setup.py | 1 + src/tabmat/categorical_matrix.py | 3 +- src/tabmat/constructor.py | 7 +- src/tabmat/dense_matrix.py | 4 +- src/tabmat/ext/dense.pyx | 6 +- src/tabmat/formula.py | 61 +- src/tabmat/standardized_mat.py | 10 +- tests/test_formula.py | 20 +- tests/test_matrices.py | 32 +- 21 files changed, 10260 insertions(+), 12441 deletions(-) create mode 100644 .ci_support/linux_64_python3.13_default.____cpython.yaml create mode 100644 .ci_support/osx_64_python3.13_default.____cpython.yaml create mode 100644 .ci_support/osx_arm64_python3.13.____cpython.yaml create mode 100644 .ci_support/win_64_python3.13.____cpython.yaml delete mode 100644 build_tools/prepare_macos_wheel.sh diff --git a/.ci_support/linux_64_python3.13_default.____cpython.yaml b/.ci_support/linux_64_python3.13_default.____cpython.yaml new file mode 100644 index 00000000..b49c0c24 --- /dev/null +++ b/.ci_support/linux_64_python3.13_default.____cpython.yaml @@ -0,0 +1,14 @@ +c_compiler: +- gcc +c_compiler_version: +- '12' +cxx_compiler: +- gxx +cxx_compiler_version: +- '12' +numpy: +- '2.1' +python: +- 3.13.* *_cp313 +target_platform: +- linux-64 diff --git a/.ci_support/osx_64_python3.13_default.____cpython.yaml b/.ci_support/osx_64_python3.13_default.____cpython.yaml new file mode 100644 index 00000000..0206bf45 --- /dev/null +++ b/.ci_support/osx_64_python3.13_default.____cpython.yaml @@ -0,0 +1,19 @@ +xMACOSX_DEPLOYMENT_TARGET: +- '10.9' +c_compiler: +- clang +c_compiler_version: +- '17' +cxx_compiler: +- clangxx +cxx_compiler_version: +- '17' +macos_machine: +- x86_64-apple-darwin13.4.0 +numpy: +- '2.1' +python: +- 3.13.* *_cp313 +target_platform: +- osx-64 + diff --git a/.ci_support/osx_arm64_python3.13.____cpython.yaml b/.ci_support/osx_arm64_python3.13.____cpython.yaml new file mode 100644 index 00000000..d08db1d3 --- /dev/null +++ b/.ci_support/osx_arm64_python3.13.____cpython.yaml @@ -0,0 +1,18 @@ +MACOSX_DEPLOYMENT_TARGET: +- '11.0' +c_compiler: +- clang +c_compiler_version: +- '17' +cxx_compiler: +- clangxx +cxx_compiler_version: +- '17' +macos_machine: +- arm64-apple-darwin20.0.0 +numpy: +- '2.1' +python: +- 3.13.* *_cp313 +target_platform: +- osx-arm64 diff --git a/.ci_support/win_64_python3.13.____cpython.yaml b/.ci_support/win_64_python3.13.____cpython.yaml new file mode 100644 index 00000000..dc35c1d8 --- /dev/null +++ b/.ci_support/win_64_python3.13.____cpython.yaml @@ -0,0 +1,10 @@ +c_compiler: +- vs2019 +cxx_compiler: +- vs2019 +numpy: +- '2.1' +python: +- 3.13.* *_cp313 +target_platform: +- win-64 diff --git a/.github/CODEOWNERS b/.github/CODEOWNERS index 44d405cf..54e296dc 100644 --- a/.github/CODEOWNERS +++ b/.github/CODEOWNERS @@ -1 +1 @@ -* @MarcAntoineSchmidtQC @xhochy @jtilly @lbittarello +* @MarcAntoineSchmidtQC @jtilly @lbittarello @stanmart diff --git a/.readthedocs.yml b/.readthedocs.yml index b4645c10..09b18085 100644 --- a/.readthedocs.yml +++ b/.readthedocs.yml @@ -4,7 +4,7 @@ build: tools: python: mambaforge-4.10 commands: - - mamba install -c conda-forge -c nodefaults pixi==0.27.0 + - mamba install -c conda-forge -c nodefaults pixi==0.39.4 - pixi run -e docs postinstall - pixi run readthedocs sphinx: diff --git a/CHANGELOG.rst b/CHANGELOG.rst index e732e6f7..b09daea0 100644 --- a/CHANGELOG.rst +++ b/CHANGELOG.rst @@ -7,8 +7,18 @@ Changelog ========= -Unreleased ----------- +4.1.1 - 2025-01-29 +------------------ + +**Bug fix:** + +- A more robust :meth:`DenseMatrix._get_col_stds` results in more accurate :meth:`StandardizedMatrix.sandwich` results. + +**Other changes:** + +- Build wheel for pypi on python 3.13. +- Build and test with python 3.13 in CI. + 4.1.0 - 2024-11-07 ------------------ diff --git a/build_tools/prepare_macos_wheel.sh b/build_tools/prepare_macos_wheel.sh deleted file mode 100644 index 9b3fab1a..00000000 --- a/build_tools/prepare_macos_wheel.sh +++ /dev/null @@ -1,11 +0,0 @@ -#!/bin/bash - -set -exuo pipefail - -if [[ "${ARCHFLAGS:-}" == *arm64 ]]; then - export CONDA_SUBDIR="osx-arm64" -else - export CONDA_SUBDIR="osx-64" -fi - -/Users/runner/micromamba-bin/micromamba create -y -p $CONDA/envs/build -c conda-forge jemalloc-local "xsimd<11|>12.1" llvm-openmp diff --git a/docs/api.rst b/docs/api.rst index 19e450f5..7788684a 100644 --- a/docs/api.rst +++ b/docs/api.rst @@ -1,6 +1,8 @@ tabmat package ======================== +.. autofunction:: tabmat.from_df + .. autofunction:: tabmat.from_pandas .. autofunction:: tabmat.from_csc diff --git a/pixi.lock b/pixi.lock index fff6c8cc..cfb50b26 100644 --- a/pixi.lock +++ b/pixi.lock @@ -1,4 +1,4 @@ -version: 5 +version: 6 environments: benchmark: channels: @@ -7,49 +7,48 @@ environments: linux-64: - conda: https://conda.anaconda.org/conda-forge/linux-64/_libgcc_mutex-0.1-conda_forge.tar.bz2 - conda: https://conda.anaconda.org/conda-forge/linux-64/_openmp_mutex-4.5-2_kmp_llvm.tar.bz2 - - conda: https://conda.anaconda.org/conda-forge/noarch/astor-0.8.1-pyh9f0ad1d_0.tar.bz2 + - conda: https://conda.anaconda.org/conda-forge/noarch/astor-0.8.1-pyhd8ed1ab_1.conda - 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subdir: osx-arm64 - url: https://conda.anaconda.org/conda-forge/osx-arm64/zstd-1.5.6-hb46c0d2_0.conda +- conda: https://conda.anaconda.org/conda-forge/osx-arm64/zstd-1.5.6-hb46c0d2_0.conda sha256: 2d4fd1ff7ee79cd954ca8e81abf11d9d49954dd1fef80f27289e2402ae9c2e09 md5: d96942c06c3e84bfcc5efb038724a7fd depends: - __osx >=11.0 - libzlib >=1.2.13,<2.0.0a0 + arch: arm64 + platform: osx license: BSD-3-Clause license_family: BSD size: 405089 timestamp: 1714723101397 +- conda: https://conda.anaconda.org/conda-forge/win-64/zstd-1.5.6-h0ea2cb4_0.conda + sha256: 768e30dc513568491818fb068ee867c57c514b553915536da09e5d10b4ebf3c3 + md5: 9a17230f95733c04dc40a2b1e5491d74 + depends: + - libzlib >=1.2.13,<2.0.0a0 + - ucrt >=10.0.20348.0 + - vc >=14.2,<15 + - vc14_runtime >=14.29.30139 + arch: x86_64 + platform: win + license: BSD-3-Clause + license_family: BSD + size: 349143 + timestamp: 1714723445995 diff --git a/pixi.toml b/pixi.toml index 3dd91206..2313959e 100644 --- a/pixi.toml +++ b/pixi.toml @@ -20,8 +20,8 @@ test = "pytest tests --doctest-modules src" [feature.docs.tasks] make-docs = "cd docs && make html" -serve-docs = { cmd = "python -m http.server --directory docs/_build/html", depends_on = ["make-docs"] } -readthedocs = { cmd = "rm -rf $READTHEDOCS_OUTPUT/html && cp -r docs/_build/html $READTHEDOCS_OUTPUT/html", depends_on = ["make-docs"] } +serve-docs = { cmd = "python -m http.server --directory docs/_build/html", depends-on = ["make-docs"] } +readthedocs = { cmd = "rm -rf $READTHEDOCS_OUTPUT/html && cp -r docs/_build/html $READTHEDOCS_OUTPUT/html", depends-on = ["make-docs"] } [feature.benchmark.tasks.benchmark-generate-matrices] cmd = "python src/tabmat/benchmark/generate_matrices.py" @@ -38,7 +38,7 @@ outputs = [ ] [feature.benchmark.tasks.benchmark-run] cmd = "python src/tabmat/benchmark/main.py --include_baseline --bench_memory --n_iterations 100" -depends_on = ["benchmark-generate-matrices"] +depends-on = ["benchmark-generate-matrices"] inputs = [ "src/tabmat/benchmark/main.py", "benchmark/data/dense_cat_data.pkl", @@ -62,7 +62,7 @@ outputs = [ ] [feature.benchmark.tasks.benchmark-visualize] cmd = "python src/tabmat/benchmark/visualize_benchmarks.py" -depends_on = ["benchmark-run"] +depends-on = ["benchmark-run"] inputs = [ "src/tabmat/benchmark/visualize_benchmarks.py", "benchmark/data/dense_cat_bench.csv", @@ -94,6 +94,8 @@ jemalloc-local = "*" [host-dependencies] python = ">=3.9" pip = "*" +setuptools = "*" +wheel = "*" [dependencies] formulaic = ">=0.6.4" @@ -146,15 +148,17 @@ python = "3.10.*" python = "3.11.*" [feature.py312.dependencies] python = "3.12.*" +[feature.py313.dependencies] +python = "3.13.*" [feature.oldies.dependencies] setuptools = "62.*" -python = "3.9.19" -numpy = "1.24.0" -pandas = "1.4.4" -scipy = "1.7.3" -formulaic = "0.6.4" -narwhals = "1.4.1" +python = "=3.9.19" +numpy = "=1.24.0" +pandas = "=1.4.4" +scipy = "=1.7.3" +formulaic = "=0.6.4" +narwhals = "=1.4.1" [environments] default = ["dev", "test"] @@ -164,6 +168,7 @@ py39 = ["py39", "test"] py310 = ["py310", "test"] py311 = ["py311", "test"] py312 = ["py312", "test"] +py313 = ["py313", "test"] oldies = ["oldies", "test"] lint = { features = ["lint"], no-default-feature = true} -nightly = ["py312", "test"] +nightly = ["py313", "test"] diff --git a/pyproject.toml b/pyproject.toml index 4f34cad3..1a146919 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -49,7 +49,6 @@ skip = [ "cp36*", "cp37*", "cp38*", - "cp313-*", ] test-requires = ["pytest", "pytest-xdist"] test-command = "pytest {package}/tests/test_matrices.py" @@ -57,13 +56,13 @@ test-command = "pytest {package}/tests/test_matrices.py" [tool.cibuildwheel.macos] before-build = [ - "bash build_tools/prepare_macos_wheel.sh", + "/Users/runner/micromamba-bin/micromamba create -y -p $MAMBA_ROOT_PREFIX/envs/build -c conda-forge jemalloc-local \"xsimd<11|>12.1\" llvm-openmp", ] [tool.cibuildwheel.macos.environment] -LDFLAGS="-Wl,-rpath,$CONDA/envs/build/lib -L$CONDA/envs/build/lib -headerpad_max_install_names" -CFLAGS="-I$CONDA/envs/build/include" -CXXFLAGS="-I$CONDA/envs/build/include" +LDFLAGS="-Wl,-rpath,$MAMBA_ROOT_PREFIX/envs/build/lib -L$MAMBA_ROOT_PREFIX/envs/build/lib -headerpad_max_install_names" +CFLAGS="-I$MAMBA_ROOT_PREFIX/envs/build/include" +CXXFLAGS="-I$MAMBA_ROOT_PREFIX/envs/build/include" CXX="/usr/bin/clang++" CC="/usr/bin/clang" JE_INSTALL_SUFFIX="local" diff --git a/setup.py b/setup.py index 64bd195b..0661e4df 100644 --- a/setup.py +++ b/setup.py @@ -154,6 +154,7 @@ "Programming Language :: Python :: 3.10", "Programming Language :: Python :: 3.11", "Programming Language :: Python :: 3.12", + "Programming Language :: Python :: 3.13", ], package_dir={"": "src"}, packages=find_packages(where="src"), diff --git a/src/tabmat/categorical_matrix.py b/src/tabmat/categorical_matrix.py index 4eb5e1cb..15dc5df5 100644 --- a/src/tabmat/categorical_matrix.py +++ b/src/tabmat/categorical_matrix.py @@ -169,6 +169,7 @@ def matvec(mat, vec): import narwhals.stable.v1 as nw import numpy as np +import numpy.typing from scipy import sparse as sps from .dense_matrix import DenseMatrix @@ -339,7 +340,7 @@ def __init__( cat_vec, categories: Optional[np.ndarray] = None, drop_first: bool = False, - dtype: np.dtype = np.float64, + dtype: numpy.typing.DTypeLike = np.float64, column_name: Optional[str] = None, term_name: Optional[str] = None, column_name_format: str = "{name}[{category}]", diff --git a/src/tabmat/constructor.py b/src/tabmat/constructor.py index f4209f29..083ad025 100644 --- a/src/tabmat/constructor.py +++ b/src/tabmat/constructor.py @@ -5,6 +5,7 @@ import narwhals.stable.v1 as nw import numpy as np +import numpy.typing from formulaic import Formula, ModelSpec from formulaic.materializers.types import NAAction from formulaic.parser import DefaultFormulaParser @@ -28,7 +29,7 @@ @nw.narwhalify(eager_only=True) def from_df( df, - dtype: np.dtype = np.float64, + dtype: numpy.typing.DTypeLike = np.float64, sparse_threshold: float = 0.1, cat_threshold: int = 4, object_as_cat: bool = False, @@ -207,7 +208,7 @@ def from_df( def from_pandas( df, - dtype: np.dtype = np.float64, + dtype: numpy.typing.DTypeLike = np.float64, sparse_threshold: float = 0.1, cat_threshold: int = 4, object_as_cat: bool = False, @@ -300,7 +301,7 @@ def from_formula( data, ensure_full_rank: bool = False, na_action: Union[str, NAAction] = NAAction.IGNORE, - dtype: np.dtype = np.float64, + dtype: numpy.typing.DTypeLike = np.float64, sparse_threshold: float = 0.1, cat_threshold: int = 4, interaction_separator: str = ":", diff --git a/src/tabmat/dense_matrix.py b/src/tabmat/dense_matrix.py index c6738c80..3502251f 100644 --- a/src/tabmat/dense_matrix.py +++ b/src/tabmat/dense_matrix.py @@ -164,8 +164,8 @@ def _cross_sandwich( raise TypeError def _get_col_stds(self, weights: np.ndarray, col_means: np.ndarray) -> np.ndarray: - """Get standard deviations of columns.""" - sqrt_arg = transpose_square_dot_weights(self._array, weights) - col_means**2 + """Get standard deviations of columns using weights `weights`.""" + sqrt_arg = transpose_square_dot_weights(self._array, weights, col_means) # Minor floating point errors above can result in a very slightly # negative sqrt_arg (e.g. -5e-16). We just set those values equal to # zero. diff --git a/src/tabmat/ext/dense.pyx b/src/tabmat/ext/dense.pyx index 32a3ac49..0538df5b 100644 --- a/src/tabmat/ext/dense.pyx +++ b/src/tabmat/ext/dense.pyx @@ -100,7 +100,7 @@ def dense_matvec(np.ndarray X, floating[:] v, int[:] rows, int[:] cols): raise Exception("The matrix X is not contiguous.") return out -def transpose_square_dot_weights(np.ndarray X, floating[:] weights): +def transpose_square_dot_weights(np.ndarray X, floating[:] weights, floating[:] shift): cdef floating* Xp = X.data cdef int nrows = weights.shape[0] cdef int ncols = X.shape[1] @@ -112,11 +112,11 @@ def transpose_square_dot_weights(np.ndarray X, floating[:] weights): if X.flags["C_CONTIGUOUS"]: for j in prange(ncols, nogil=True): for i in range(nrows): - outp[j] = outp[j] + weights[i] * (Xp[i * ncols + j] ** 2) + outp[j] = outp[j] + weights[i] * ((Xp[i * ncols + j] - shift[j]) ** 2) elif X.flags["F_CONTIGUOUS"]: for j in prange(ncols, nogil=True): for i in range(nrows): - outp[j] = outp[j] + weights[i] * (Xp[j * nrows + i] ** 2) + outp[j] = outp[j] + weights[i] * ((Xp[j * nrows + i] - shift[j]) ** 2) else: raise Exception("The matrix X is not contiguous.") return out diff --git a/src/tabmat/formula.py b/src/tabmat/formula.py index e6803e2f..f324fda9 100644 --- a/src/tabmat/formula.py +++ b/src/tabmat/formula.py @@ -5,12 +5,12 @@ from collections.abc import Iterable from typing import Any, Optional, Union -import numpy -import pandas +import numpy as np +import numpy.typing +import pandas as pd from formulaic import ModelMatrix, ModelSpec from formulaic.errors import FactorEncodingError from formulaic.materializers import FormulaMaterializer -from formulaic.materializers.base import EncodedTermStructure from formulaic.materializers.types import FactorValues, NAAction, ScopedTerm from formulaic.parser.types import Term from formulaic.transforms import stateful_transform @@ -24,6 +24,11 @@ from .sparse_matrix import SparseMatrix from .split_matrix import SplitMatrix +try: + from formulaic.materializers.base import EncodedTermStructure +except ImportError: + from formulaic.materializers.types.formula_materializer import EncodedTermStructure + class TabmatMaterializer(FormulaMaterializer): """Materializer for pandas input and tabmat output.""" @@ -39,7 +44,7 @@ def _init(self): "categorical_format", "{name}[{category}]" ) self.intercept_name = self.params.get("intercept_name", "Intercept") - self.dtype = self.params.get("dtype", numpy.float64) + self.dtype = self.params.get("dtype", np.float64) self.sparse_threshold = self.params.get("sparse_threshold", 0.1) self.cat_threshold = self.params.get("cat_threshold", 4) self.add_column_for_intercept = self.params.get( @@ -53,9 +58,9 @@ def _init(self): @override def _is_categorical(self, values): - if isinstance(values, (pandas.Series, pandas.Categorical)): + if isinstance(values, (pd.Series, pd.Categorical)): return values.dtype == object or isinstance( - values.dtype, pandas.CategoricalDtype + values.dtype, pd.CategoricalDtype ) return super()._is_categorical(values) @@ -65,12 +70,12 @@ def _check_for_nulls(self, name, values, na_action, drop_rows): return if na_action is NAAction.RAISE: - if isinstance(values, pandas.Series) and values.isnull().values.any(): + if isinstance(values, pd.Series) and values.isnull().values.any(): raise ValueError(f"`{name}` contains null values after evaluation.") elif na_action is NAAction.DROP: - if isinstance(values, pandas.Series): - drop_rows.update(numpy.flatnonzero(values.isnull().values)) + if isinstance(values, pd.Series): + drop_rows.update(np.flatnonzero(values.isnull().values)) else: raise ValueError( @@ -79,17 +84,17 @@ def _check_for_nulls(self, name, values, na_action, drop_rows): @override def _encode_constant(self, value, metadata, encoder_state, spec, drop_rows): - series = value * numpy.ones(self.nrows - len(drop_rows)) + series = value * np.ones(self.nrows - len(drop_rows)) return _InteractableDenseVector(series, name=self.intercept_name) @override def _encode_numerical(self, values, metadata, encoder_state, spec, drop_rows): if drop_rows: values = values.drop(index=values.index[drop_rows]) - if isinstance(values, pandas.Series): + if isinstance(values, pd.Series): values = values.to_numpy().astype(self.dtype) if (values != 0).mean() <= self.sparse_threshold: - return _InteractableSparseVector(sps.csc_matrix(values[:, numpy.newaxis])) + return _InteractableSparseVector(sps.csc_matrix(values[:, np.newaxis])) else: return _InteractableDenseVector(values) @@ -114,7 +119,7 @@ def _encode_categorical( def _combine_columns(self, cols, spec, drop_rows): # Special case no columns if not cols: - values = numpy.empty((self.data.shape[0], 0), dtype=self.dtype) + values = np.empty((self.data.shape[0], 0), dtype=self.dtype) return DenseMatrix(values) # Otherwise, concatenate columns into SplitMatrix @@ -301,7 +306,7 @@ class _InteractableVector(ABC): @abstractmethod def to_tabmat( self, - dtype: numpy.dtype, + dtype: numpy.typing.DTypeLike, sparse_threshold: float, cat_threshold: int, ) -> MatrixBase: @@ -341,7 +346,7 @@ def set_name(self, name, name_format): class _InteractableDenseVector(_InteractableVector): - def __init__(self, values: numpy.ndarray, name: Optional[str] = None): + def __init__(self, values: np.ndarray, name: Optional[str] = None): self.values = values self.name = name @@ -354,7 +359,7 @@ def __rmul__(self, other): def to_tabmat( self, - dtype: numpy.dtype = numpy.float64, + dtype: numpy.typing.DTypeLike = np.float64, sparse_threshold: float = 0.1, cat_threshold: int = 4, ) -> Union[SparseMatrix, DenseMatrix]: @@ -363,7 +368,7 @@ def to_tabmat( else: # Columns can become sparser, but not denser through interactions return SparseMatrix( - sps.csc_matrix(self.values[:, numpy.newaxis]), column_names=[self.name] + sps.csc_matrix(self.values[:, np.newaxis]), column_names=[self.name] ) def get_names(self) -> list[str]: @@ -390,7 +395,7 @@ def __rmul__(self, other): def to_tabmat( self, - dtype: numpy.dtype = numpy.float64, + dtype: numpy.typing.DTypeLike = np.float64, sparse_threshold: float = 0.1, cat_threshold: int = 4, ) -> SparseMatrix: @@ -409,9 +414,9 @@ def set_name(self, name, name_format=None) -> "_InteractableSparseVector": class _InteractableCategoricalVector(_InteractableVector): def __init__( self, - codes: numpy.ndarray, + codes: np.ndarray, categories: list[str], - multipliers: numpy.ndarray, + multipliers: np.ndarray, name: Optional[str] = None, ): # sentinel values for codes: @@ -425,7 +430,7 @@ def __init__( @classmethod def from_categorical( cls, - cat: pandas.Categorical, + cat: pd.Categorical, reduced_rank: bool, missing_method: str = "fail", missing_name: str = "(MISSING)", @@ -433,7 +438,7 @@ def from_categorical( ) -> "_InteractableCategoricalVector": """Create an interactable categorical vector from a pandas categorical.""" categories = list(cat.categories) - codes = cat.codes.copy().astype(numpy.int64) + codes = cat.codes.copy().astype(np.int64) if reduced_rank: codes[codes == 0] = -2 @@ -453,7 +458,7 @@ def from_categorical( return cls( codes=codes, categories=categories, - multipliers=numpy.ones(len(cat.codes)), + multipliers=np.ones(len(cat.codes)), ) def __rmul__(self, other): @@ -467,7 +472,7 @@ def __rmul__(self, other): def to_tabmat( self, - dtype: numpy.dtype = numpy.float64, + dtype: numpy.typing.DTypeLike = np.float64, sparse_threshold: float = 0.1, cat_threshold: int = 4, ) -> Union[DenseMatrix, CategoricalMatrix, SplitMatrix]: @@ -481,7 +486,7 @@ def to_tabmat( else: drop_first = False - cat = pandas.Categorical.from_codes( + cat = pd.Categorical.from_codes( codes=codes, categories=categories, ordered=False, @@ -498,12 +503,12 @@ def to_tabmat( if (self.codes == -2).all(): # All values are dropped - return DenseMatrix(numpy.empty((len(codes), 0), dtype=dtype)) + return DenseMatrix(np.empty((len(codes), 0), dtype=dtype)) elif (self.multipliers == 1).all() and len(categories) >= cat_threshold: return categorical_part else: sparse_matrix = sps.csc_matrix( - categorical_part.tocsr().multiply(self.multipliers[:, numpy.newaxis]) + categorical_part.tocsr().multiply(self.multipliers[:, np.newaxis]) ) ( dense_part, @@ -740,7 +745,7 @@ def encode_contrasts( f"Column {data.name} contains unseen categories: {unseen_categories}." ) - cat = pandas.Categorical(data._values, categories=levels) + cat = pd.Categorical(data._values, categories=levels) _state["categories"] = cat.categories _state["add_missing_category"] = add_missing_category or ( missing_method == "convert" and cat.isna().any() diff --git a/src/tabmat/standardized_mat.py b/src/tabmat/standardized_mat.py index e53d8100..930279c3 100644 --- a/src/tabmat/standardized_mat.py +++ b/src/tabmat/standardized_mat.py @@ -130,7 +130,15 @@ def sandwich( if not hasattr(d, "dtype"): d = np.asarray(d) check_sandwich_compatible(self, d) - + # stat_mat = mat * mult[newaxis, :] + shift[newaxis, :] + # stat_mat.T @ d[:, newaxis] * stat_mat + # = mult[:, newaxis] * mat.T @ d[:, newaxis] * mat * mult[newaxis, :] + (1) + # mult[:, newaxis] * mat.T @ d[:, newaxis] * np.outer(ones, shift) + (2) + # shift[:, newaxis] @ d[:, newaxis] * mat * mult[newaxis, :] + (3) + # shift[:, newaxis] @ d[:, newaxis] * shift[newaxis, :] (4) + # + # (1) = self.mat.sandwich(d) * np.outer(limited_mult, limited_mult) + # (2) = mult * self.transpose_matvec(d) * shift[newaxis, :] if rows is not None or cols is not None: setup_rows, setup_cols = setup_restrictions(self.shape, rows, cols) if rows is not None: diff --git a/tests/test_formula.py b/tests/test_formula.py index 8ea19d76..24d5db24 100644 --- a/tests/test_formula.py +++ b/tests/test_formula.py @@ -11,6 +11,11 @@ from formulaic.parser.types import Factor from scipy import sparse as sps +try: + from formulaic.utils.structured import Structured +except ImportError: + from formulaic.parser.types import Structured + import tabmat as tm from tabmat.formula import ( TabmatMaterializer, @@ -457,6 +462,7 @@ def test_all_names_against_from_pandas(df, categorical_format): assert mat_from_formula.term_names == mat_from_pandas.term_names +@pytest.mark.skip(reason="We handle categorical names differently from formulaic") @pytest.mark.parametrize( "ensure_full_rank", [True, False], ids=["full_rank", "all_levels"] ) @@ -480,19 +486,29 @@ def test_all_names_against_from_pandas(df, categorical_format): pytest.param( "1 + C(cat_1, spans_intercept=False) * cat_2 * cat_3", id="custom_contrasts", + marks=pytest.mark.xfail( + reason="Non-uniform categorical formats are not yet supported" + ), ), ], ) def test_names_against_pandas(df, formula, ensure_full_rank): + if ensure_full_rank: + categorical_format = "{name}[T.{category}]" + else: + categorical_format = "{name}[{category}]" + num_in_scope = 2 # noqa + model_df = formulaic.model_matrix(formula, df, ensure_full_rank=ensure_full_rank) model_tabmat = tm.from_formula( formula, df, ensure_full_rank=ensure_full_rank, - categorical_format="{name}[T.{category}]", + categorical_format=categorical_format, context=0, ) + assert model_tabmat.model_spec.column_names == model_df.model_spec.column_names assert model_tabmat.model_spec.column_names == tuple(model_df.columns) assert model_tabmat.column_names == list(model_df.columns) @@ -1134,5 +1150,5 @@ def test_model_spec_pickleable(self, materializer): pickle.dump(ms.model_spec, o) o.seek(0) ms2 = pickle.load(o) - assert isinstance(ms, formulaic.parser.types.Structured) + assert isinstance(ms, Structured) assert ms2.lhs.formula.root == ["a"] diff --git a/tests/test_matrices.py b/tests/test_matrices.py index 56c22b81..a1c711a4 100644 --- a/tests/test_matrices.py +++ b/tests/test_matrices.py @@ -50,9 +50,9 @@ def categorical_matrix_drop_first(): return tm.CategoricalMatrix(vec, drop_first=True) -def get_unscaled_matrices() -> ( - list[Union[tm.DenseMatrix, tm.SparseMatrix, tm.CategoricalMatrix]] -): +def get_unscaled_matrices() -> list[ + Union[tm.DenseMatrix, tm.SparseMatrix, tm.CategoricalMatrix] +]: return [ dense_matrix_F(), dense_matrix_C(), @@ -813,3 +813,29 @@ def test_combine_names(mat_1, mat_2): assert combined.column_names == mat_1.column_names + mat_2.column_names assert combined.term_names == mat_1.term_names + mat_2.term_names + + +@pytest.mark.parametrize("dtype", [np.float32, np.float64]) +def test_dense_matrix_get_col_stds(dtype): + # https://github.com/Quantco/tabmat/issues/414 + X = np.array( + [ + [46.231056, 126.05263, 144.46439], + [46.231224, 128.66818, 0.7667693], + [46.231186, 104.97506, 193.8872], + [46.230835, 130.10156, 143.88954], + [46.230896, 116.76007, 7.5629334], + ], + dtype=dtype, + ) + weights = np.full(X.shape[0], 1 / X.shape[0], dtype=dtype) + + standardized_mat, _, col_stds = tm.DenseMatrix(X).standardize( + weights, center_predictors=True, scale_predictors=True + ) + + eps = np.sqrt(np.finfo(dtype).eps) # sqrt since std = sqrt(var) + np.testing.assert_allclose(col_stds, np.std(X, axis=0, ddof=0), rtol=eps) + np.testing.assert_allclose( + standardized_mat.mult, 1 / np.std(X, axis=0, ddof=0), rtol=eps + )