diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index f9d98ef0..f455d9e9 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -1,5 +1,15 @@ name: CI -on: [push] +on: + # We would like to trigger for CI for any pull request action - + # both from QuantCo's branches as well as forks. + pull_request: + # In addition to pull requests, we want to run CI for pushes + # to the main branch and tags. + push: + branches: + - "main" + tags: + - "*" # Automatically stop old builds on the same branch/PR concurrency: diff --git a/CHANGELOG.rst b/CHANGELOG.rst index c5b1a50e..ad678eba 100644 --- a/CHANGELOG.rst +++ b/CHANGELOG.rst @@ -12,7 +12,21 @@ Changelog **New features** -* Added :meth:`metalearners.metalearner.MetaLearner.init_params`. +* Add :meth:`metalearners.metalearner.MetaLearner.init_params`. + +* Add :class:`metalearners.utils.FixedBinaryPropensity`. + +* Added ``_build_onnx`` to :class:`metalearners.MetaLearner` abstract class and implement it + for :class:`metalearners.TLearner`, :class:`metalearners.XLearner`, :class:`metalearners.RLearner` + and :class:`metalearners.DRLearner`. + +* Added ``_necessary_onnx_models`` to :class:`metalearners.MetaLearner`. + +* Added :meth:`metalearners.metalearner.DRLearner.average_treatment_effect` to + compute AIPW point estimate and standard error for _average + treatment effects (ATE)_ + without requiring a full model fit (which is required for CATE + estimation). A new notebook contains examples. * Added :meth:`metalearners.metalearner.DRLearner.treatment_effect` to compute AIPW point estimate and standard error for _average treatment effects (ATE)_ without requiring a full model fit (which is required for CATE estimation). A new notebook contains examples. @@ -21,7 +35,7 @@ Changelog **New features** -* Added :meth:`metalearners.metalearner.MetaLearner.fit_all_nuisance` and +* Add :meth:`metalearners.metalearner.MetaLearner.fit_all_nuisance` and :meth:`metalearners.metalearner.MetaLearner.fit_all_treatment`. * Add optional ``store_raw_results`` and ``store_results`` parameters to :class:`metalearners.grid_search.MetaLearnerGridSearch`. diff --git a/docs/examples/example_estimating_ates.ipynb b/docs/examples/example_estimating_ates.ipynb index 4a2c93a9..9ba10c27 100644 --- a/docs/examples/example_estimating_ates.ipynb +++ b/docs/examples/example_estimating_ates.ipynb @@ -14,7 +14,7 @@ "\n", "Estimating average treatment effects (ATEs) involves a subset of the tasks involved in estimating Conditional Average Treatment Effects (CATEs), so we can use methods that are designed for estimating CATEs to estimate ATEs. \n", "\n", - "In this example, we simulate some data with a confounded binary treatment and demonstrate the `treatment_effect` method of the `DRLearner` class, which estimates the ATE, and compare it to estimates from some other popular libraries (`econML` and `doubleML`). We then show how this approach generalizes to a setting with multiple discrete treatments, and finally to a setting with discrete-valued outcomes.\n", + "In this example, we simulate some data with a confounded binary treatment and demonstrate the `average_treatment_effect` method of the `DRLearner` class, which estimates the ATE, and compare it to estimates from some other popular libraries (`econML` and `doubleML`). We then show how this approach generalizes to a setting with multiple discrete treatments, and finally to a setting with discrete-valued outcomes.\n", "\n", "Example\n", "-------" @@ -236,10 +236,11 @@ " y=df[outcome_column],\n", " w=df[treatment_column],\n", ")\n", - "metalearners_est = metalearners_dr.treatment_effect( # still need to pass data objects since DRLearner does not retain any data\n", + "metalearners_est = metalearners_dr.average_treatment_effect( # still need to pass data objects since DRLearner does not retain any data\n", " X=df[feature_columns],\n", " w=df[treatment_column],\n", " y=df[outcome_column],\n", + " is_oos=False,\n", ")\n", "metalearners_est" ] @@ -248,7 +249,7 @@ "cell_type": "markdown", "metadata": {}, "source": [ - "Manual computation with pseudo outcome method produces the same estimate (`treatment_effect` does a generalisation of this under the hood) yields the same estimate" + "Manual computation with pseudo outcome method produces the same estimate (`average_treatment_effect` does a generalisation of this under the hood) yields the same estimate" ] }, { @@ -713,10 +714,11 @@ " y=df_multi[outcome_column],\n", " w=df_multi[treatment_column],\n", ")\n", - "metalearners_est2 = metalearners_dr_2.treatment_effect( # still need to pass data objects since DRLearner does not retain any data\n", + "metalearners_est2 = metalearners_dr_2.average_treatment_effect( # still need to pass data objects since DRLearner does not retain any data\n", " X=df_multi[feature_columns],\n", " y=df_multi[outcome_column],\n", " w=df_multi[treatment_column],\n", + " is_oos=False,\n", ")\n", "metalearners_est2" ] diff --git a/docs/examples/example_onnx.ipynb b/docs/examples/example_onnx.ipynb new file mode 100644 index 00000000..5e2a00fd --- /dev/null +++ b/docs/examples/example_onnx.ipynb @@ -0,0 +1,380 @@ +{ + "cells": [ + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "# Converting a MetaLearner to ONNX\n", + "\n", + "```{warning}\n", + "This is a experimental feature which is not subject to deprecation cycles. Use\n", + "it at your own risk!\n", + "```\n", + "\n", + "ONNX is an open standard for representing trained machine learning models.\n", + "By converting a Metalearner\n", + "into an ONNX model, it becomes easier to leverage the model in different environments without\n", + "needing to worry about compatibility or performance issues.\n", + "\n", + "In particular, this conversion also allows models to be run on a variety of hardware setups. Also, ONNX\n", + "models are optimized for efficient computation, enabling faster inference compared to\n", + "the Python interface.\n", + "\n", + "For more information about ONNX, you can check the ONNX [website](https://onnx.ai/).\n", + "\n", + "In this example we will show how most MetaLearners can be converted to ONNX.\n", + "\n", + "## Installation\n", + "\n", + "In order to convert a MetaLearner to ONNX, we first need to install the following packages:\n", + "\n", + "* [onnx](https://github.com/onnx/onnx)\n", + "* [onnxmltools](https://github.com/onnx/onnxmltools)\n", + "* [onnxruntime](https://github.com/microsoft/onnxruntime)\n", + "* [spox](https://github.com/Quantco/spox)\n", + "\n", + "We can do so either via conda and conda-forge:\n", + "\n", + "```console\n", + "$ conda install onnx onnxmltools onnxruntime spox -c conda-forge\n", + "```\n", + "\n", + "or via pip and PyPI\n", + "\n", + "```console\n", + "$ pip install onnx onnxmltools onnxruntime spox\n", + "```" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Usage\n", + "\n", + "```{warning}\n", + "It is important to notice that this method only works for {class}`~metalearners.TLearner`,\n", + "{class}`~metalearners.XLearner`, {class}`~metalearners.RLearner` and {class}`~metalearners.DRLearner`.\n", + "Converting an {class}`~metalearners.SLearner` is highly dependent on the fact that the base\n", + "model supports categorical variables or not and it is not implemented yet. \n", + "```\n", + "\n", + "### Loading the data\n", + "\n", + "Just like in our {ref}`example on estimating CATEs with a MetaLearner `,\n", + "we will first load some experiment data:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "import pandas as pd\n", + "from pathlib import Path\n", + "from git_root import git_root\n", + "\n", + "df = pd.read_csv(git_root(\"data/learning_mindset.zip\"))\n", + "outcome_column = \"achievement_score\"\n", + "treatment_column = \"intervention\"\n", + "feature_columns = [\n", + " column for column in df.columns if column not in [outcome_column, treatment_column]\n", + "]\n", + "categorical_feature_columns = [\n", + " \"ethnicity\",\n", + " \"gender\",\n", + " \"frst_in_family\",\n", + " \"school_urbanicity\",\n", + " \"schoolid\",\n", + "]\n", + "# Note that explicitly setting the dtype of these features to category\n", + "# allows both lightgbm as well as shap plots to\n", + "# 1. Operate on features which are not of type int, bool or float\n", + "# 2. Correctly interpret categoricals with int values to be\n", + "# interpreted as categoricals, as compared to ordinals/numericals.\n", + "for categorical_feature_column in categorical_feature_columns:\n", + " df[categorical_feature_column] = df[categorical_feature_column].astype(\"category\")" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Now that we've loaded the experiment data, we can train a MetaLearner.\n", + "\n", + "\n", + "### Training a MetaLearner\n", + "\n", + "Again, mirroring our {ref}`example on estimating CATEs with a MetaLearner\n", + "`, we can train an\n", + "{class}`~metalearners.XLearner` as follows:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "from metalearners import XLearner\n", + "from lightgbm import LGBMRegressor, LGBMClassifier\n", + "\n", + "xlearner = XLearner(\n", + " nuisance_model_factory=LGBMRegressor,\n", + " propensity_model_factory=LGBMClassifier,\n", + " treatment_model_factory=LGBMRegressor,\n", + " is_classification=False,\n", + " n_variants=2,\n", + " nuisance_model_params={\"n_estimators\": 5, \"verbose\": -1},\n", + " propensity_model_params={\"n_estimators\": 5, \"verbose\": -1},\n", + " treatment_model_params={\"n_estimators\": 5, \"verbose\": -1},\n", + " n_folds=2,\n", + ")\n", + "\n", + "xlearner.fit(\n", + " X=df[feature_columns],\n", + " y=df[outcome_column],\n", + " w=df[treatment_column],\n", + ")" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "```{note}\n", + "In this example, we used all ``lightgbm`` models because these are the only type of models\n", + "that we managed to get to work with categorical encodings from ``pandas``\n", + "while also being convertible to ONNX. Other ``sklearn`` models which support categoricals such as\n", + "``HistGradientBoostingRegressor`` or ``xgboost`` models do not have support for them\n", + "in their conversion to ONNX. See [this issue](https://github.com/onnx/sklearn-onnx/issues/1051)\n", + "and [this comment](https://github.com/onnx/onnxmltools/issues/469#issuecomment-1993880910).\n", + "```\n", + "\n", + "### Converting the base models to ONNX\n", + "\n", + "Before being able to convert the MetaLearner to ONXX we need to manually convert the necessary\n", + "base models for the prediction. To get the necessary base models that need to be\n", + "converted we can use {meth}`~metalearners.metalearner.MetaLearner._necessary_onnx_models`." + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "necessary_models = xlearner._necessary_onnx_models()\n", + "necessary_models" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "We see that we need to convert the ``\"propensity_model\"``, the ``\"control_effect_model\"``\n", + "and the ``\"treatment_effect_model\"``. We can do this with the following code where we\n", + "use the ``convert_lightgbm`` function from the ``onnxmltools`` package.\n", + "\n", + "```{note}\n", + "It is important to know that for classifiers we need to pass the ``zipmap=False`` option. This\n", + "is required so the output probabilities are a Matrix and not a list of dictionaries.\n", + "In the case of using a ``sklearn`` model and using the ``convert_sklearn`` function, this\n", + "option needs to be specified with the ``options={\"zipmap\": False}`` parameter.\n", + "```" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "import onnx\n", + "from onnxmltools import convert_lightgbm\n", + "from onnxconverter_common.data_types import FloatTensorType\n", + "\n", + "onnx_models: dict[str, list[onnx.ModelProto]] = {}\n", + "\n", + "for model_kind, models in necessary_models.items():\n", + " onnx_models[model_kind] = []\n", + " for model in models:\n", + " onnx_models[model_kind].append(\n", + " convert_lightgbm(\n", + " model,\n", + " initial_types=[(\"X\", FloatTensorType([None, len(feature_columns)]))],\n", + " zipmap=False,\n", + " )\n", + " )" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "Now we can call {meth}`~metalearners.metalearner.MetaLearner._build_onnx` which combines\n", + "the the converted ONNX base models into a single ONNX model.\n", + "This combined model has a single 2D input ``\"X\"`` and a single output named ``\"tau\"``.\n", + "The output name can be changed using the ``output_name`` parameter. " + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "onnx_model = xlearner._build_onnx(onnx_models)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "We can explore the input and output of the model and see that it expects a matrix with 11\n", + "columns and returns a three dimensional tensor with shape ``(..., 1, 1)`` which is expected\n", + "as there is only two treatment variants and one outcome as it is a regression problem." + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "print(\"ONNX model input: \", onnx_model.graph.input)\n", + "print(\"ONNX model output: \", onnx_model.graph.output)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "We can also visualize the ONNX model with, e.g. [netron](https://netron.app/):\n", + "![](onnx_netron.png)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "```{note}\n", + "We noticed that ``convert_lightgbm`` does not support using native pandas categorical variables.\n", + "This is because a numpy array needs to be passed when predicting, for this reason we need to\n", + "use the categories codes in the input matrix. For more context on this issue see\n", + "[here](https://github.com/onnx/onnxmltools/issues/309) and [here](https://github.com/microsoft/LightGBM/issues/5162).\n", + "```" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "import numpy as np\n", + "\n", + "X_onnx = df[feature_columns].copy(deep=True)\n", + "for c in categorical_feature_columns:\n", + " X_onnx[c] = df[c].cat.codes\n", + "X_onnx = X_onnx.to_numpy(np.float32)" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "We can finally use ``onnxruntime`` to perform predictions using our model:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "import onnxruntime as rt\n", + "\n", + "sess = rt.InferenceSession(\n", + " onnx_model.SerializeToString(), providers=rt.get_available_providers()\n", + ")\n", + "\n", + "(pred_onnx,) = sess.run(\n", + " [\"tau\"],\n", + " {\"X\": X_onnx},\n", + ")" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "onnx.save_model(onnx_model, \"model.onnx\")" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "We recommend always doing a final check with some data that the CATEs predicted by the python\n", + "implementation and the ONNX model are the same (up to some tolerance). This can be done with\n", + "the following code:\n", + "\n", + "```{note}\n", + "We have to use the data as if it was out-of-sample with ``oos_method = True`` as when we\n", + "converted the base models we used the ``_overall_estimtor``.\n", + "```" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [ + "np.testing.assert_allclose(\n", + " xlearner.predict(df[feature_columns], True, \"overall\"), pred_onnx, atol=1e-6\n", + ")" + ] + }, + { + "cell_type": "markdown", + "metadata": {}, + "source": [ + "## Further comments\n", + "\n", + "* It would be desirable to work with ``DoubleTensorType`` instead of ``FloatTensorType``\n", + " but we have noted that some converters have issues with it. We recommend try using\n", + " ``DoubleTensorType`` but switching to ``FloatTensorType`` in case the converter fails.\n", + "* In the case the final assertion fails we recommend first testing that the different\n", + " base models have the same base outputs as we discovered some issues with some converters,\n", + " see [this issue](https://github.com/onnx/sklearn-onnx/issues/1117) and\n", + " [this issue](https://github.com/onnx/sklearn-onnx/issues/1116)." + ] + } + ], + "metadata": { + "kernelspec": { + "display_name": "Python 3 (ipykernel)", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.12.3" + } + }, + "nbformat": 4, + "nbformat_minor": 4 +} diff --git a/docs/examples/example_propensity.ipynb b/docs/examples/example_propensity.ipynb index 3a356351..7fc280f8 100644 --- a/docs/examples/example_propensity.ipynb +++ b/docs/examples/example_propensity.ipynb @@ -59,8 +59,8 @@ "cell_type": "markdown", "metadata": {}, "source": [ - "Creating our own estimator\n", - "--------------------------\n", + "Using a dummy estimator\n", + "-----------------------\n", "\n", "In this tutorial we will assume that we know that all observations were assigned to the\n", "treatment with a fixed probability of 0.3, which is close to the fraction of the observations\n", @@ -89,43 +89,10 @@ "dataset, we just use it for illustrational purposes.\n", "```\n", "\n", - "Now we can define our custom ``sklearn``-like classifier. We recommend inheriting from\n", - "the ``sklearn`` base classes and following the rules explained in the\n", - "[sklearn documentation](https://scikit-learn.org/stable/developers/develop.html) to avoid\n", - "having to define helper functions and ensure the correct functionality of the ``metalearners``\n", - "library." - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": { - "vscode": { - "languageId": "plaintext" - } - }, - "outputs": [], - "source": [ - "from sklearn.base import BaseEstimator, ClassifierMixin\n", - "from typing import Any\n", - "from typing_extensions import Self\n", - "import numpy as np\n", - "import pandas as pd\n", - "\n", - "\n", - "class FixedPropensityModel(ClassifierMixin, BaseEstimator):\n", - " def __init__(self, propensity_score: float) -> None:\n", - " self.propensity_score = propensity_score\n", - "\n", - " def fit(self, X: pd.DataFrame, y: pd.Series) -> Self:\n", - " self.classes_ = np.unique(y.to_numpy()) # sklearn requires this\n", - " return self\n", - "\n", - " def predict(self, X: pd.DataFrame) -> np.ndarray[Any, Any]:\n", - " return np.argmax(self.predict_proba(X), axis=1)\n", - "\n", - " def predict_proba(self, X: pd.DataFrame) -> np.ndarray[Any, Any]:\n", - " return np.full((len(X), 2), [1 - self.propensity_score, self.propensity_score])" + "Now we can use a custom ``sklearn``-like classifier: {class}`~metalearners.utils.FixedBinaryPropensity`.\n", + "The latter can be used like any ``sklearn`` classifier but will always return the same propensity,\n", + "independently of the observed covariates. This propensity has to be provided at initialization via the\n", + "``propensity_score`` parameter." ] }, { @@ -149,11 +116,12 @@ "outputs": [], "source": [ "from metalearners import RLearner\n", + "from metalearners.utils import FixedBinaryPropensity\n", "from lightgbm import LGBMRegressor\n", "\n", "rlearner = RLearner(\n", " nuisance_model_factory=LGBMRegressor,\n", - " propensity_model_factory=FixedPropensityModel,\n", + " propensity_model_factory=FixedBinaryPropensity,\n", " treatment_model_factory=LGBMRegressor,\n", " nuisance_model_params={\"verbose\": -1},\n", " propensity_model_params={\"propensity_score\": 0.3},\n", @@ -205,10 +173,24 @@ } ], "metadata": { + "kernelspec": { + "display_name": "Python 3 (ipykernel)", + "language": "python", + "name": "python3" + }, "language_info": { - "name": "python" + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.12.3" } }, "nbformat": 4, - "nbformat_minor": 2 + "nbformat_minor": 4 } diff --git a/docs/examples/index.rst b/docs/examples/index.rst index 2ef14398..b91cea15 100644 --- a/docs/examples/index.rst +++ b/docs/examples/index.rst @@ -15,3 +15,4 @@ Examples Generating data Estimating CATEs for survival analysis What if I know the propensity score? + Converting a MetaLearner to ONNX diff --git a/docs/examples/onnx_netron.png b/docs/examples/onnx_netron.png new file mode 100644 index 00000000..56efd3c7 Binary files /dev/null and b/docs/examples/onnx_netron.png differ diff --git a/metalearners/_utils.py b/metalearners/_utils.py index 2af472fe..2337c421 100644 --- a/metalearners/_utils.py +++ b/metalearners/_utils.py @@ -1,6 +1,7 @@ # Copyright (c) QuantCo 2024-2024 # SPDX-License-Identifier: BSD-3-Clause +import warnings from collections.abc import Callable from inspect import signature from operator import le, lt @@ -18,7 +19,7 @@ _PREDICT = "predict" _PREDICT_PROBA = "predict_proba" - +ONNX_PROBABILITIES_OUTPUTS = ["probabilities", "output_probability"] default_rng = np.random.default_rng() @@ -499,3 +500,67 @@ def default_metric(predict_method: PredictMethod) -> str: if predict_method == _PREDICT_PROBA: return "neg_log_loss" return "neg_root_mean_squared_error" + + +def check_onnx_installed() -> None: + """Ensures that ``onnx`` is available.""" + try: + import onnx # noqa F401 + except ImportError: + raise ImportError( + "onnx is not installed. Please install onnx to use this feature." + ) + + +def check_spox_installed() -> None: + """Ensures that ``spox`` is available.""" + try: + import spox # noqa F401 + except ImportError: + raise ImportError( + "spox is not installed. Please install spox to use this feature." + ) + + +def infer_dtype_and_shape_onnx(tensor) -> tuple[np.dtype, tuple]: + """Returns the ``np.dtype`` and shape of an ONNX tensor.""" + check_onnx_installed() + import onnx + + dtype = onnx.helper.tensor_dtype_to_np_dtype(tensor.type.tensor_type.elem_type) + shape = tuple( + d.dim_value if d.HasField("dim_value") else None + for d in tensor.type.tensor_type.shape.dim + ) + return dtype, shape + + +def infer_probabilities_output(model) -> tuple[int, str]: + """Returns the index and name of the output which contains the probabilities outcome + in a ONNX classifier.""" + check_onnx_installed() + for i, output in enumerate(model.graph.output): + if output.name in ONNX_PROBABILITIES_OUTPUTS: + return i, output.name + raise ValueError("No probabilities output was found.") + + +def infer_input_dict(model) -> dict: + """Returns a dict where the keys are the input names of the model and the values are + ``spox.Var`` with the corresponding shape and type.""" + check_spox_installed() + from spox import Tensor, Var, argument + + input_dict: dict[str, Var] = {} + for input_tensor in model.graph.input: + input_dtype, input_shape = infer_dtype_and_shape_onnx(input_tensor) + input_dict[input_tensor.name] = argument(Tensor(input_dtype, input_shape)) + + return input_dict + + +def warning_experimental_feature(function_name: str) -> None: + warnings.warn( + f"{function_name} is an experimental feature. Use it at your own risk!", + stacklevel=2, + ) diff --git a/metalearners/drlearner.py b/metalearners/drlearner.py index 18df8af8..1bfc2ab5 100644 --- a/metalearners/drlearner.py +++ b/metalearners/drlearner.py @@ -2,6 +2,8 @@ # SPDX-License-Identifier: BSD-3-Clause +from collections.abc import Mapping, Sequence + import numpy as np from joblib import Parallel, delayed from typing_extensions import Any, Self @@ -18,12 +20,16 @@ _ScikitModel, ) from metalearners._utils import ( + check_spox_installed, clip_element_absolute_value_to_epsilon, + copydoc, get_one, get_predict, get_predict_proba, index_matrix, + infer_input_dict, validate_valid_treatment_variant_not_control, + warning_experimental_feature, ) from metalearners.cross_fit_estimator import OVERALL, CrossFitEstimator from metalearners.metalearner import ( @@ -38,6 +44,7 @@ _fit_cross_fit_estimator_joblib, _ModelSpecifications, _ParallelJoblibSpecification, + get_overall_estimators, ) _EPSILON = 1e-09 @@ -331,11 +338,12 @@ def evaluate( return variant_outcome_evaluation | propensity_evaluation | treatment_evaluation - def treatment_effect( + def average_treatment_effect( self, X: Matrix, y: Vector, w: Vector, + is_oos: bool, ) -> np.ndarray: """Compute Average Treatment Effect (ATE) for each treatment variant using the Augmented IPW estimator (Robins et al 1994). Does not require fitting a second- @@ -344,9 +352,10 @@ def treatment_effect( :meth:`~metalearners.drlearner.DRLearner.fit_all_nuisance` method. Args: - X (Matrix): Covariate matrix. - y (Vector): Outcome vector. + X (Matrix): Covariate matrix + y (Vector): Outcome vector w (Vector): Treatment vector + is_oos (bool): indicator whether data is out of sample Returns: np.ndarray: Treatment effect and standard error for each treatment variant. @@ -362,7 +371,7 @@ def treatment_effect( w=w, y=y, treatment_variant=treatment_variant, - is_oos=False, + is_oos=is_oos, ) treatment_effect = gamma_matrix.mean(axis=0) standard_error = gamma_matrix.std(axis=0) / np.sqrt(len(X)) @@ -439,3 +448,46 @@ def _pseudo_outcome( @property def init_args(self) -> dict[str, Any]: return super().init_args | {"adaptive_clipping": self.adaptive_clipping} + + def _necessary_onnx_models(self) -> dict[str, list[_ScikitModel]]: + return { + TREATMENT_MODEL: get_overall_estimators( + self._treatment_models[TREATMENT_MODEL] + ) + } + + @copydoc(MetaLearner._build_onnx, sep="") + def _build_onnx(self, models: Mapping[str, Sequence], output_name: str = "tau"): + """In the DRLearner case, the necessary models are: + + * ``"treatment_model"`` + """ + warning_experimental_feature("_build_onnx") + check_spox_installed() + import spox.opset.ai.onnx.v21 as op + from onnx.checker import check_model + from spox import Var, build, inline + + self._validate_feature_set_none() + self._validate_onnx_models(models, set(self._necessary_onnx_models().keys())) + + input_dict = infer_input_dict(models[TREATMENT_MODEL][0]) + + treatment_output_name = models[TREATMENT_MODEL][0].graph.output[0].name + + tau_hat: list[Var] = [] + for m in models[TREATMENT_MODEL]: + tau_hat_tv = inline(m)(**input_dict)[treatment_output_name] + tau_hat_tv = op.unsqueeze(tau_hat_tv, axes=op.constant(value_int=2)) + if self.is_classification: + if self._supports_multi_class(): + raise ValueError( + "ONNX conversion is not implemented for a multi-class output." + ) + tau_hat_tv = op.concat([op.neg(tau_hat_tv), tau_hat_tv], axis=-1) + tau_hat.append(tau_hat_tv) + + cate = op.concat(tau_hat, axis=1) + final_model = build(input_dict, {output_name: cate}) + check_model(final_model, full_check=True) + return final_model diff --git a/metalearners/metalearner.py b/metalearners/metalearner.py index 5bed116a..44b3aea9 100644 --- a/metalearners/metalearner.py +++ b/metalearners/metalearner.py @@ -2,7 +2,7 @@ # SPDX-License-Identifier: BSD-3-Clause from abc import ABC, abstractmethod -from collections.abc import Callable, Collection, Sequence +from collections.abc import Callable, Collection, Mapping, Sequence, Set from copy import deepcopy from dataclasses import dataclass from typing import Any, TypedDict @@ -27,6 +27,7 @@ _ScikitModel, ) from metalearners._utils import ( + ONNX_PROBABILITIES_OUTPUTS, default_metric, index_matrix, validate_model_and_predict_method, @@ -137,6 +138,17 @@ def _validate_n_folds_synchronize(n_folds: dict[str, int]) -> None: raise ValueError("Need at least two folds to use synchronization.") +def get_overall_estimators(cfes: list[CrossFitEstimator]) -> list[_ScikitModel]: + overall_estimators = [] + for cfe in cfes: + if cfe._overall_estimator is None: + raise ValueError( + "To use this functionality the overall models need to be fitted." + ) + overall_estimators.append(cfe._overall_estimator) + return overall_estimators + + def _evaluate_model_kind( cfes: Sequence[CrossFitEstimator], Xs: Sequence[Matrix], @@ -1172,6 +1184,98 @@ def init_args(self) -> dict[str, Any]: "random_state": self.random_state, } + def _validate_onnx_models( + self, models: Mapping[str, Sequence], necessary_models: Set[str] + ): + """Validates that the converted ONNX models are correct. + + Specifically it validates the following: + * The ``necessary_models`` are equal to the keys of the ``models``` dictionary + * The number of models for each model matches the cardinality in the MetaLearner + * All ONNX have the same input format + * The models with ``"predict"`` as ``predict_method`` have only one output + * The models with ``"predict_proba"`` as ``predict_method`` have a probabilities output + """ + if set(models.keys()) != necessary_models: + raise ValueError( + f"necessary_model ({necessary_models}) should equal to keys present in models dictionary." + ) + specifications = ( + self.nuisance_model_specifications() | self.treatment_model_specifications() + ) + input_format = None + for model_kind in necessary_models: + model_specification = specifications[model_kind] + if len(models[model_kind]) != model_specification["cardinality"](self): + raise ValueError( + f"{model_kind} cardinality does not match the expected cardinality." + ) + predict_method = model_specification["predict_method"](self) + for model_index, model in enumerate(models[model_kind]): + if input_format is None: + input_format = model.graph.input + elif input_format != model.graph.input: + raise ValueError( + "Some ONNX model has a different input, check that all models have " + "the same input format." + ) + if predict_method == "predict" and len(model.graph.output) != 1: + raise ValueError( + f"ONNX {model_kind} with index {model_index} has {len(model.graph.output)} " + "outputs and should have only one." + ) + elif predict_method == "predict_proba": + found_probabilities = False + for output in model.graph.output: + if output.name in ONNX_PROBABILITIES_OUTPUTS: + found_probabilities = True + if not found_probabilities: + raise ValueError( + f"ONNX {model_kind} model with index {model_index} needs to have an output " + f"with name in {ONNX_PROBABILITIES_OUTPUTS}." + ) + + def _validate_feature_set_none(self): + """Validates that the feature set for all the models is None, i.e. all models + use all features.""" + for feature_set in self.feature_set.values(): + if feature_set is not None: + raise ValueError( + "ONNX conversion can only be used if all base models have ``None`` " + "as feature set (and therefore use all the features)." + ) + + @abstractmethod + def _necessary_onnx_models(self) -> dict[str, list[_ScikitModel]]: + """Return a dictionary with the necessary models to convert the MetaLearner to + ONNX. + + The returned dictionary keys will be strings and the values will be list of the + overall base models (trained on the complete dataset) which should be converted + to onnx. + """ + ... + + @abstractmethod + def _build_onnx(self, models: Mapping[str, Sequence], output_name: str = "tau"): + """Convert the MetaLearner to an ONNX model. + + .. warning:: + This is a experimental feature which is not subject to deprecation cycles. Use + it at your own risk! + + ``output_name`` can be used to change the output name of the ONNX model. + + ``models`` should be a dictionary of sequences with the necessary base models converted to + ONNX. The necessary models for the specific MetaLearner can be accessed with + :meth:`~metalearners.metalearner.MetaLearner._necessary_onnx_models`. + + This method combines the the converted ONNX base models into a single ONNX model. + This combined model has a single 2D input ``"X"`` and a single output named + ``output_name``. + """ + ... + class _ConditionalAverageOutcomeMetaLearner(MetaLearner, ABC): diff --git a/metalearners/rlearner.py b/metalearners/rlearner.py index 965b928c..a43ff8ea 100644 --- a/metalearners/rlearner.py +++ b/metalearners/rlearner.py @@ -2,13 +2,16 @@ # SPDX-License-Identifier: BSD-3-Clause +from collections.abc import Mapping, Sequence + import numpy as np from joblib import Parallel, delayed from sklearn.metrics import root_mean_squared_error from typing_extensions import Self -from metalearners._typing import Matrix, OosMethod, Scoring, Vector +from metalearners._typing import Matrix, OosMethod, Scoring, Vector, _ScikitModel from metalearners._utils import ( + check_spox_installed, clip_element_absolute_value_to_epsilon, copydoc, function_has_argument, @@ -16,8 +19,10 @@ get_predict, get_predict_proba, index_matrix, + infer_input_dict, validate_all_vectors_same_index, validate_valid_treatment_variant_not_control, + warning_experimental_feature, ) from metalearners.cross_fit_estimator import OVERALL from metalearners.metalearner import ( @@ -30,6 +35,7 @@ _fit_cross_fit_estimator_joblib, _ModelSpecifications, _ParallelJoblibSpecification, + get_overall_estimators, ) OUTCOME_MODEL = "outcome_model" @@ -519,3 +525,46 @@ def _pseudo_outcome_and_weights( weights = np.square(w_residuals) return pseudo_outcomes, weights + + def _necessary_onnx_models(self) -> dict[str, list[_ScikitModel]]: + return { + TREATMENT_MODEL: get_overall_estimators( + self._treatment_models[TREATMENT_MODEL] + ) + } + + @copydoc(MetaLearner._build_onnx, sep="") + def _build_onnx(self, models: Mapping[str, Sequence], output_name: str = "tau"): + """In the RLearner case, the necessary models are: + + * ``"treatment_model"`` + """ + warning_experimental_feature("_build_onnx") + check_spox_installed() + import spox.opset.ai.onnx.v21 as op + from onnx.checker import check_model + from spox import Var, build, inline + + self._validate_feature_set_none() + self._validate_onnx_models(models, set(self._necessary_onnx_models().keys())) + + input_dict = infer_input_dict(models[TREATMENT_MODEL][0]) + + treatment_output_name = models[TREATMENT_MODEL][0].graph.output[0].name + + tau_hats: list[Var] = [] + for m in models[TREATMENT_MODEL]: + tau_hat_tv = inline(m)(**input_dict)[treatment_output_name] + tau_hat_tv = op.unsqueeze(tau_hat_tv, axes=op.constant(value_int=2)) + if self.is_classification: + if self._supports_multi_class(): + raise ValueError( + "ONNX conversion is not implemented for a multi-class output." + ) + tau_hat_tv = op.concat([op.neg(tau_hat_tv), tau_hat_tv], axis=-1) + tau_hats.append(tau_hat_tv) + + tau_hat = op.concat(tau_hats, axis=1) + final_model = build(input_dict, {output_name: tau_hat}) + check_model(final_model, full_check=True) + return final_model diff --git a/metalearners/slearner.py b/metalearners/slearner.py index 3e1d8078..e636c0f2 100644 --- a/metalearners/slearner.py +++ b/metalearners/slearner.py @@ -2,6 +2,7 @@ # SPDX-License-Identifier: BSD-3-Clause import warnings +from collections.abc import Mapping, Sequence import numpy as np import pandas as pd @@ -297,3 +298,14 @@ def predict_conditional_average_outcomes( return np.stack(conditional_average_outcomes_list, axis=1).reshape( n_obs, self.n_variants, -1 ) + + @classmethod + def _necessary_onnx_models(cls) -> dict[str, list[_ScikitModel]]: + raise ValueError( + "The SLearner does not implement this method. Please refer to comment in the tutorial." + ) + + def _build_onnx(self, models: Mapping[str, Sequence], output_name: str = "tau"): + raise ValueError( + "The SLearner does not implement this method. Please refer to comment in the tutorial." + ) diff --git a/metalearners/tlearner.py b/metalearners/tlearner.py index d512ab12..c009e597 100644 --- a/metalearners/tlearner.py +++ b/metalearners/tlearner.py @@ -1,12 +1,21 @@ # Copyright (c) QuantCo 2024-2024 # SPDX-License-Identifier: BSD-3-Clause +from collections.abc import Mapping, Sequence + import numpy as np from joblib import Parallel, delayed from typing_extensions import Self -from metalearners._typing import Matrix, OosMethod, Scoring, Vector -from metalearners._utils import index_matrix +from metalearners._typing import Matrix, OosMethod, Scoring, Vector, _ScikitModel +from metalearners._utils import ( + check_spox_installed, + copydoc, + index_matrix, + infer_input_dict, + infer_probabilities_output, + warning_experimental_feature, +) from metalearners.cross_fit_estimator import OVERALL from metalearners.metalearner import ( NUISANCE, @@ -17,6 +26,7 @@ _fit_cross_fit_estimator_joblib, _ModelSpecifications, _ParallelJoblibSpecification, + get_overall_estimators, ) @@ -140,3 +150,53 @@ def evaluate( is_treatment_model=False, feature_set=self.feature_set[VARIANT_OUTCOME_MODEL], ) + + def _necessary_onnx_models(self) -> dict[str, list[_ScikitModel]]: + return { + VARIANT_OUTCOME_MODEL: get_overall_estimators( + self._nuisance_models[VARIANT_OUTCOME_MODEL] + ) + } + + @copydoc(MetaLearner._build_onnx, sep="") + def _build_onnx(self, models: Mapping[str, Sequence], output_name: str = "tau"): + """In the TLearner case, the necessary models are: + + * ``"variant_outcome_model"`` + """ + warning_experimental_feature("_build_onnx") + check_spox_installed() + import spox.opset.ai.onnx.v21 as op + from onnx.checker import check_model + from spox import build, inline + + self._validate_feature_set_none() + self._validate_onnx_models(models, set(self._necessary_onnx_models().keys())) + + input_dict = infer_input_dict(models[VARIANT_OUTCOME_MODEL][0]) + + if not self.is_classification: + model_output_name = models[VARIANT_OUTCOME_MODEL][0].graph.output[0].name + else: + _, model_output_name = infer_probabilities_output( + models[VARIANT_OUTCOME_MODEL][0] + ) + + output_0 = inline(models[VARIANT_OUTCOME_MODEL][0])(**input_dict)[ + model_output_name + ] + + variant_cates = [] + for m in models[VARIANT_OUTCOME_MODEL][1:]: + variant_output = inline(m)(**input_dict)[model_output_name] + variant_cate = op.sub(variant_output, output_0) + variant_cates.append( + op.unsqueeze( + variant_cate, + axes=op.constant(value_int=1), + ) + ) + cate = op.concat(variant_cates, axis=1) + final_model = build(input_dict, {output_name: cate}) + check_model(final_model, full_check=True) + return final_model diff --git a/metalearners/utils.py b/metalearners/utils.py index 765e6c1d..587bef67 100644 --- a/metalearners/utils.py +++ b/metalearners/utils.py @@ -1,8 +1,14 @@ # Copyright (c) QuantCo 2024-2024 # SPDX-License-Identifier: BSD-3-Clause +from typing import Any + import numpy as np +import pandas as pd +from sklearn.base import BaseEstimator, ClassifierMixin +from typing_extensions import Self +from metalearners._typing import Matrix, Vector from metalearners.drlearner import DRLearner from metalearners.metalearner import MetaLearner from metalearners.rlearner import RLearner @@ -73,3 +79,29 @@ def simplify_output(tensor: np.ndarray) -> np.ndarray: if n_outputs == 2: return tensor[:, :, 1].reshape(n_obs, n_variants) return tensor + + +class FixedBinaryPropensity(ClassifierMixin, BaseEstimator): + """Binary classifier propensity dummy model which outputs a fixed propensity, + independently of covariates.""" + + def __init__(self, propensity_score: float) -> None: + if not 0 <= propensity_score <= 1: + raise ValueError( + f"Expected a propensity score between 0 and 1 but got {propensity_score}." + ) + self.propensity_score = propensity_score + + def fit(self, X: Matrix, y: Vector) -> Self: + self.classes_ = np.unique(y) # sklearn requires this + if (n_classes := len(self.classes_)) > 2: + raise ValueError( + f"FixedBinaryPropensityModel only supports binary outcomes but {n_classes} were provided ." + ) + return self + + def predict(self, X: Matrix) -> np.ndarray[Any, Any]: + return np.argmax(self.predict_proba(X), axis=1) + + def predict_proba(self, X: pd.DataFrame) -> np.ndarray[Any, Any]: + return np.full((len(X), 2), [1 - self.propensity_score, self.propensity_score]) diff --git a/metalearners/xlearner.py b/metalearners/xlearner.py index 7e8a1b21..5965b96c 100644 --- a/metalearners/xlearner.py +++ b/metalearners/xlearner.py @@ -2,17 +2,24 @@ # SPDX-License-Identifier: BSD-3-Clause +from collections.abc import Mapping, Sequence + import numpy as np from joblib import Parallel, delayed from typing_extensions import Self -from metalearners._typing import Matrix, OosMethod, Scoring, Vector +from metalearners._typing import Matrix, OosMethod, Scoring, Vector, _ScikitModel from metalearners._utils import ( + check_spox_installed, + copydoc, get_one, get_predict, get_predict_proba, index_matrix, + infer_input_dict, + infer_probabilities_output, validate_valid_treatment_variant_not_control, + warning_experimental_feature, ) from metalearners.cross_fit_estimator import MEDIAN, OVERALL from metalearners.metalearner import ( @@ -26,6 +33,7 @@ _fit_cross_fit_estimator_joblib, _ModelSpecifications, _ParallelJoblibSpecification, + get_overall_estimators, ) CONTROL_EFFECT_MODEL = "control_effect_model" @@ -430,3 +438,90 @@ def _pseudo_outcome( imputed_te_control = treatment_outcome - y_filt[control_indices] return imputed_te_control, imputed_te_treatment + + def _necessary_onnx_models(self) -> dict[str, list[_ScikitModel]]: + return { + PROPENSITY_MODEL: get_overall_estimators( + self._nuisance_models[PROPENSITY_MODEL] + ), + CONTROL_EFFECT_MODEL: get_overall_estimators( + self._treatment_models[CONTROL_EFFECT_MODEL] + ), + TREATMENT_EFFECT_MODEL: get_overall_estimators( + self._treatment_models[TREATMENT_EFFECT_MODEL] + ), + } + + @copydoc(MetaLearner._build_onnx, sep="") + def _build_onnx(self, models: Mapping[str, Sequence], output_name: str = "tau"): + """In the XLearner case, the necessary models are: + + * ``"propensity_model"`` + * ``"control_effect_model"`` + * ``"treatment_effect_model"`` + """ + warning_experimental_feature("_build_onnx") + check_spox_installed() + import spox.opset.ai.onnx.v21 as op + from onnx.checker import check_model + from spox import Var, build, inline + + self._validate_feature_set_none() + self._validate_onnx_models(models, set(self._necessary_onnx_models().keys())) + + input_dict = infer_input_dict(models[PROPENSITY_MODEL][0]) + + treatment_output_name = models[CONTROL_EFFECT_MODEL][0].graph.output[0].name + + tau_hat_control: list[Var] = [] + for m in models[CONTROL_EFFECT_MODEL]: + tau_hat_control.append(inline(m)(**input_dict)[treatment_output_name]) + tau_hat_effect: list[Var] = [] + for m in models[TREATMENT_EFFECT_MODEL]: + tau_hat_effect.append(inline(m)(**input_dict)[treatment_output_name]) + + _, propensity_output_name = infer_probabilities_output( + models[PROPENSITY_MODEL][0] + ) + + propensity_scores = inline(models[PROPENSITY_MODEL][0])(**input_dict)[ + propensity_output_name + ] + + slice_0 = op.slice( + propensity_scores, + starts=op.const(np.array([0])), + ends=op.const(np.array([1])), + axes=op.const(np.array([1])), + ) + + tau_hat = [] + for tv in range(self.n_variants - 1): + slice_tv = op.slice( + propensity_scores, + starts=op.const(np.array([tv + 1])), + ends=op.const(np.array([tv + 2])), + axes=op.const(np.array([1])), + ) + denominator = op.add(slice_0, slice_tv) + scaled_propensity = op.div(slice_tv, denominator) + tau_hat_tv = op.add( + op.mul(scaled_propensity, tau_hat_control[tv]), + op.mul( + op.sub(op.constant(value_float=1), scaled_propensity), + tau_hat_effect[tv], + ), + ) + tau_hat_tv = op.unsqueeze(tau_hat_tv, axes=op.constant(value_int=2)) + if self.is_classification: + if self._supports_multi_class(): + raise ValueError( + "ONNX conversion is not implemented for a multi-class output." + ) + tau_hat_tv = op.concat([op.neg(tau_hat_tv), tau_hat_tv], axis=-1) + tau_hat.append(tau_hat_tv) + + cate = op.concat(tau_hat, axis=1) + final_model = build(input_dict, {output_name: cate}) + check_model(final_model, full_check=True) + return final_model diff --git a/pixi.lock b/pixi.lock index 7227f074..cb9aa727 100644 --- a/pixi.lock +++ b/pixi.lock @@ -13,7 +13,7 @@ environments: - conda: https://conda.anaconda.org/conda-forge/linux-64/brotli-bin-1.1.0-hd590300_1.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/bzip2-1.0.8-h4bc722e_7.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/ca-certificates-2024.7.4-hbcca054_0.conda - - conda: https://conda.anaconda.org/conda-forge/linux-64/cairo-1.18.0-hbb29018_2.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/cairo-1.18.0-hebfffa5_3.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/causalml-0.15.1-py310h2bcf4ab_1.conda - conda: https://conda.anaconda.org/conda-forge/noarch/certifi-2024.7.4-pyhd8ed1ab_0.conda - conda: https://conda.anaconda.org/conda-forge/noarch/cloudpickle-3.0.0-pyhd8ed1ab_0.conda @@ -40,7 +40,6 @@ environments: - conda: https://conda.anaconda.org/conda-forge/noarch/fsspec-2024.6.1-pyhff2d567_0.conda - conda: https://conda.anaconda.org/conda-forge/noarch/future-1.0.0-pyhd8ed1ab_0.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/gdk-pixbuf-2.42.12-hb9ae30d_0.conda - 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python >=3.8 license: Apache-2.0 AND MIT - size: 46989 - timestamp: 1721973461093 + size: 46936 + timestamp: 1722930195524 - kind: conda name: typing-extensions version: 4.12.2 diff --git a/pixi.toml b/pixi.toml index e4c49326..ff5a9750 100644 --- a/pixi.toml +++ b/pixi.toml @@ -34,6 +34,10 @@ shap = "*" matplotlib-base = "*" joblib = ">=1.2.0" lifelines = "*" +onnx = "*" +onnxmltools = "*" +onnxruntime = "*" +spox = "*" [feature.lint.dependencies] pre-commit = "*" diff --git a/tests/conftest.py b/tests/conftest.py index 9ef37d26..93ffe213 100644 --- a/tests/conftest.py +++ b/tests/conftest.py @@ -7,6 +7,65 @@ import pandas as pd import pytest from git_root import git_root +from sklearn.calibration import CalibratedClassifierCV +from sklearn.discriminant_analysis import ( + QuadraticDiscriminantAnalysis, +) +from sklearn.ensemble import ( + AdaBoostRegressor, + BaggingClassifier, + BaggingRegressor, + ExtraTreesClassifier, + ExtraTreesRegressor, + GradientBoostingClassifier, + GradientBoostingRegressor, + HistGradientBoostingClassifier, + HistGradientBoostingRegressor, + RandomForestClassifier, + RandomForestRegressor, +) +from sklearn.gaussian_process import GaussianProcessRegressor +from sklearn.linear_model import ( + ARDRegression, + BayesianRidge, + ElasticNet, + ElasticNetCV, + HuberRegressor, + Lars, + LarsCV, + Lasso, + LassoCV, + LassoLars, + LassoLarsCV, + LassoLarsIC, + LinearRegression, + LogisticRegression, + LogisticRegressionCV, + OrthogonalMatchingPursuit, + OrthogonalMatchingPursuitCV, + PassiveAggressiveRegressor, + QuantileRegressor, + RANSACRegressor, + Ridge, + RidgeCV, + SGDRegressor, + TheilSenRegressor, + TweedieRegressor, +) +from sklearn.neighbors import ( + KNeighborsClassifier, + KNeighborsRegressor, + RadiusNeighborsClassifier, + RadiusNeighborsRegressor, +) +from sklearn.neural_network import MLPClassifier, MLPRegressor +from sklearn.svm import SVR, LinearSVR, NuSVR +from sklearn.tree import ( + DecisionTreeClassifier, + DecisionTreeRegressor, + ExtraTreeClassifier, + ExtraTreeRegressor, +) from metalearners._utils import get_linear_dimension, load_mindset_data, load_twins_data from metalearners.data_generation import ( @@ -22,6 +81,68 @@ _SEED = 1337 _SIGMA_TAU = 0.5 +all_sklearn_classifiers = [ + # AdaBoostClassifier, # The output probabilities are wrong when there are only two classes, see https://github.com/onnx/sklearn-onnx/issues/1117 + BaggingClassifier, + CalibratedClassifierCV, + DecisionTreeClassifier, + ExtraTreeClassifier, + ExtraTreesClassifier, + # GaussianProcessClassifier, # This raises an error com.microsoft:Solve(-1) is not a registered function/op when inference on onnx. TODO: investigate it further + GradientBoostingClassifier, + HistGradientBoostingClassifier, + KNeighborsClassifier, + # LinearDiscriminantAnalysis, # The output probabilities are wrong when there are only two classes, see https://github.com/onnx/sklearn-onnx/issues/1116 + LogisticRegression, + LogisticRegressionCV, + MLPClassifier, + QuadraticDiscriminantAnalysis, + RadiusNeighborsClassifier, + RandomForestClassifier, +] # extracted from all_estimators("classifier"), models which have predict_proba and convert_sklearn supports them + +all_sklearn_regressors = [ + ARDRegression, + AdaBoostRegressor, + BaggingRegressor, + BayesianRidge, + DecisionTreeRegressor, + ElasticNet, + ElasticNetCV, + ExtraTreeRegressor, + ExtraTreesRegressor, + GaussianProcessRegressor, + GradientBoostingRegressor, + HistGradientBoostingRegressor, + HuberRegressor, + KNeighborsRegressor, + Lars, + LarsCV, + Lasso, + LassoCV, + LassoLars, + LassoLarsCV, + LassoLarsIC, + LinearRegression, + LinearSVR, + MLPRegressor, + NuSVR, + OrthogonalMatchingPursuit, + OrthogonalMatchingPursuitCV, + # PLSRegression, # The output shape of the onnx converted model is wrong + PassiveAggressiveRegressor, + QuantileRegressor, + RANSACRegressor, + RadiusNeighborsRegressor, + RandomForestRegressor, + Ridge, + RidgeCV, + SGDRegressor, + SVR, + TheilSenRegressor, + TweedieRegressor, +] # regressors which are supported by convert_sklearn and support regression in the reals + def _generate_rct_experiment_data( covariates, @@ -246,3 +367,27 @@ def grid_search_data(): w_test = rng.integers(0, n_variants, n_test_samples) return X, y_class, y_reg, w, X_test, y_test_class, y_test_reg, w_test + + +@pytest.fixture(scope="session") +def onnx_dataset(): + rng = np.random.default_rng(_SEED) + n_samples = 300 + n_numerical_features = 5 + + X_numerical = rng.standard_normal((n_samples, n_numerical_features)) + + X_with_categorical = pd.DataFrame(X_numerical) + X_with_categorical[n_numerical_features] = pd.Series( + rng.integers(10, 13, n_samples), dtype="category" + ) # not start at 0 + X_with_categorical[n_numerical_features + 1] = pd.Series( + rng.choice([-5, 4, -10, -32], size=n_samples), dtype="category" + ) # not consecutive + + y_class = rng.integers(0, 2, size=n_samples) + y_reg = rng.standard_normal(n_samples) + + w = rng.integers(0, 3, n_samples) + + return X_numerical, X_with_categorical, y_class, y_reg, w diff --git a/tests/test_drlearner.py b/tests/test_drlearner.py index 1e8d3c5d..14298e21 100644 --- a/tests/test_drlearner.py +++ b/tests/test_drlearner.py @@ -1,10 +1,24 @@ # Copyright (c) QuantCo 2024-2024 # SPDX-License-Identifier: BSD-3-Clause +from itertools import repeat + import numpy as np +import onnxruntime as rt +import pytest +from lightgbm import LGBMClassifier, LGBMRegressor +from onnx import ModelProto +from onnxconverter_common.data_types import FloatTensorType +from onnxmltools import convert_lightgbm, convert_xgboost +from skl2onnx import convert_sklearn from sklearn.linear_model import LinearRegression, LogisticRegression +from sklearn.neighbors import RadiusNeighborsRegressor +from xgboost import XGBRegressor + +from metalearners import DRLearner +from metalearners._typing import Params -from metalearners.drlearner import DRLearner +from .conftest import all_sklearn_regressors def test_adaptive_clipping_smoke(dummy_dataset): @@ -21,6 +35,106 @@ def test_adaptive_clipping_smoke(dummy_dataset): ml.fit(X, y, w) +@pytest.mark.parametrize( + "treatment_model_factory, onnx_converter", + ( + list( + zip( + all_sklearn_regressors, + repeat(convert_sklearn), + ) + ) + + [ + (LGBMRegressor, convert_lightgbm), + (XGBRegressor, convert_xgboost), + ] + ), +) +@pytest.mark.parametrize("is_classification", [True, False]) +def test_drlearner_onnx( + treatment_model_factory, onnx_converter, is_classification, onnx_dataset +): + supports_categoricals = treatment_model_factory in [ + LGBMRegressor, + # convert_sklearn does not support categoricals https://github.com/onnx/sklearn-onnx/issues/1051 + # HistGradientBoostingRegressor, + # convert_xgboost does not support categoricals https://github.com/onnx/onnxmltools/issues/469#issuecomment-1993880910 + # XGBRegressor, + ] + treatment_model_params: Params | None = None + if treatment_model_factory == RadiusNeighborsRegressor: + treatment_model_params = {"radius": 10} + + X_numerical, X_with_categorical, y_class, y_reg, w = onnx_dataset + n_numerical_features = X_numerical.shape[1] + + if supports_categoricals: + X = X_with_categorical + n_categorical_features = X.shape[1] - n_numerical_features + else: + X = X_numerical + n_categorical_features = 0 + n_variants = len(np.unique(w)) + if is_classification: + y = y_class + nuisance_model_factory = LogisticRegression + else: + y = y_reg + nuisance_model_factory = LinearRegression + + ml = DRLearner( + is_classification, + n_variants, + nuisance_model_factory=nuisance_model_factory, + propensity_model_factory=LGBMClassifier, + treatment_model_factory=treatment_model_factory, + propensity_model_params={"n_estimators": 1}, + treatment_model_params=treatment_model_params, + n_folds=2, + ) + ml.fit(X, y, w) + + necessary_models = ml._necessary_onnx_models() + onnx_models: dict[str, list[ModelProto]] = {} + + for model_kind, models in necessary_models.items(): + onnx_models[model_kind] = [] + for model in models: + onnx_models[model_kind].append( + onnx_converter( + model, + initial_types=[ + ( + "X", + FloatTensorType( + [None, n_numerical_features + n_categorical_features] + ), + ) + ], + ) + ) + + final = ml._build_onnx(onnx_models) + sess = rt.InferenceSession( + final.SerializeToString(), providers=rt.get_available_providers() + ) + + if supports_categoricals: + onnx_X = X.to_numpy(np.float32) + # This is needed for categoricals as LGBM uses the categorical codes, when + # other implementations support categoricals this may need to be changed + onnx_X[:, n_numerical_features] = X[n_numerical_features].cat.codes + onnx_X[:, n_numerical_features + 1] = X[n_numerical_features + 1].cat.codes + else: + onnx_X = X.astype(np.float32) + + (pred_onnx,) = sess.run( + ["tau"], + {"X": onnx_X}, + ) + np.testing.assert_allclose(ml.predict(X, True, "overall"), pred_onnx, atol=5e-4) + + def test_treatment_effect( numerical_experiment_dataset_continuous_outcome_binary_treatment_linear_te, ): @@ -36,5 +150,5 @@ def test_treatment_effect( n_folds=2, ) ml.fit_all_nuisance(X, Y, W) - est = ml.treatment_effect(X, Y, W) + est = ml.average_treatment_effect(X, Y, W, is_oos=False) np.testing.assert_almost_equal(est[:, 0], tau.mean(), decimal=1) diff --git a/tests/test_metalearner.py b/tests/test_metalearner.py index a65087cd..5721f5c6 100644 --- a/tests/test_metalearner.py +++ b/tests/test_metalearner.py @@ -1,6 +1,7 @@ # Copyright (c) QuantCo 2024-2024 # SPDX-License-Identifier: BSD-3-Clause +from collections.abc import Mapping, Sequence from itertools import chain import matplotlib.pyplot as plt @@ -12,6 +13,7 @@ from sklearn.base import BaseEstimator from sklearn.linear_model import LinearRegression, LogisticRegression +from metalearners._typing import _ScikitModel from metalearners.cross_fit_estimator import CrossFitEstimator from metalearners.data_generation import insert_missing from metalearners.drlearner import DRLearner @@ -111,6 +113,12 @@ def evaluate(self, X, y, w, is_oos, oos_method=None): def predict_conditional_average_outcomes(self, X, is_oos, oos_method=None): return np.zeros((len(X), 2, 1)) + def _build_onnx(self, models: Mapping[str, Sequence], output_name: str = "tau"): ... + + @classmethod + def _necessary_onnx_models(cls) -> dict[str, list[_ScikitModel]]: + return {} + @pytest.mark.parametrize("is_classification", [True, False]) @pytest.mark.parametrize("nuisance_model_params", [None, {}, {"n_estimators": 5}]) diff --git a/tests/test_rlearner.py b/tests/test_rlearner.py index 69499e60..0455f60b 100644 --- a/tests/test_rlearner.py +++ b/tests/test_rlearner.py @@ -1,11 +1,24 @@ # Copyright (c) QuantCo 2024-2024 # SPDX-License-Identifier: BSD-3-Clause +from itertools import repeat + import numpy as np +import onnxruntime as rt import pandas as pd import pytest +from lightgbm import LGBMClassifier, LGBMRegressor +from onnx import ModelProto +from onnxconverter_common.data_types import FloatTensorType +from onnxmltools import convert_lightgbm, convert_xgboost +from skl2onnx import convert_sklearn +from sklearn.linear_model import LinearRegression, LogisticRegression +from xgboost import XGBRegressor + +from metalearners._utils import function_has_argument +from metalearners.rlearner import RLearner, r_loss -from metalearners.rlearner import r_loss +from .conftest import all_sklearn_regressors @pytest.mark.parametrize("use_pandas", [True, False]) @@ -26,3 +39,102 @@ def test_r_loss(use_pandas): propensity_scores=propensity_scores, ) assert result == pytest.approx(2, abs=1e-4, rel=1e-4) + + +@pytest.mark.parametrize( + "treatment_model_factory, onnx_converter", + ( + list( + zip( + all_sklearn_regressors, + repeat(convert_sklearn), + ) + ) + + [ + (LGBMRegressor, convert_lightgbm), + (XGBRegressor, convert_xgboost), + ] + ), +) +@pytest.mark.parametrize("is_classification", [True, False]) +def test_rlearner_onnx( + treatment_model_factory, onnx_converter, is_classification, onnx_dataset +): + if not function_has_argument(treatment_model_factory.fit, "sample_weight"): + pytest.skip() + + supports_categoricals = treatment_model_factory in [ + LGBMRegressor, + # convert_sklearn does not support categoricals https://github.com/onnx/sklearn-onnx/issues/1051 + # HistGradientBoostingRegressor, + # convert_xgboost does not support categoricals https://github.com/onnx/onnxmltools/issues/469#issuecomment-1993880910 + # XGBRegressor, + ] + + X_numerical, X_with_categorical, y_class, y_reg, w = onnx_dataset + n_numerical_features = X_numerical.shape[1] + + if supports_categoricals: + X = X_with_categorical + n_categorical_features = X.shape[1] - n_numerical_features + else: + X = X_numerical + n_categorical_features = 0 + n_variants = len(np.unique(w)) + if is_classification: + y = y_class + nuisance_model_factory = LogisticRegression + else: + y = y_reg + nuisance_model_factory = LinearRegression + + ml = RLearner( + is_classification, + n_variants, + nuisance_model_factory=nuisance_model_factory, + propensity_model_factory=LGBMClassifier, + treatment_model_factory=treatment_model_factory, + propensity_model_params={"n_estimators": 1}, + n_folds=2, + ) + ml.fit(X, y, w) + + necessary_models = ml._necessary_onnx_models() + onnx_models: dict[str, list[ModelProto]] = {} + + for model_kind, models in necessary_models.items(): + onnx_models[model_kind] = [] + for model in models: + onnx_models[model_kind].append( + onnx_converter( + model, + initial_types=[ + ( + "X", + FloatTensorType( + [None, n_numerical_features + n_categorical_features] + ), + ) + ], + ) + ) + + final = ml._build_onnx(onnx_models) + sess = rt.InferenceSession( + final.SerializeToString(), providers=rt.get_available_providers() + ) + + if supports_categoricals: + onnx_X = X.to_numpy(np.float32) + # This is needed for categoricals as LGBM uses the categorical codes, when + # other implementations support categoricals this may need to be changed + onnx_X[:, n_numerical_features] = X[n_numerical_features].cat.codes + onnx_X[:, n_numerical_features + 1] = X[n_numerical_features + 1].cat.codes + else: + onnx_X = X.astype(np.float32) + + (pred_onnx,) = sess.run( + ["tau"], + {"X": onnx_X}, + ) + np.testing.assert_allclose(ml.predict(X, True, "overall"), pred_onnx, atol=5e-4) diff --git a/tests/test_tlearner.py b/tests/test_tlearner.py new file mode 100644 index 00000000..9c8d33f0 --- /dev/null +++ b/tests/test_tlearner.py @@ -0,0 +1,141 @@ +# Copyright (c) QuantCo 2024-2024 +# SPDX-License-Identifier: BSD-3-Clause + +from functools import partial +from itertools import repeat + +import numpy as np +import onnxruntime as rt +import pytest +from lightgbm import LGBMClassifier, LGBMRegressor +from onnx import ModelProto +from onnxconverter_common.data_types import FloatTensorType +from onnxmltools import convert_lightgbm, convert_xgboost +from skl2onnx.convert import convert_sklearn +from sklearn.ensemble import ( + HistGradientBoostingClassifier, + HistGradientBoostingRegressor, +) +from sklearn.neighbors import ( + RadiusNeighborsClassifier, + RadiusNeighborsRegressor, +) +from xgboost import XGBClassifier, XGBRegressor + +from metalearners import TLearner +from metalearners._typing import Params + +from .conftest import all_sklearn_classifiers, all_sklearn_regressors + + +@pytest.mark.parametrize( + "nuisance_model_factory, onnx_converter, is_classification", + ( + list( + zip( + all_sklearn_classifiers, + repeat(partial(convert_sklearn, options={"zipmap": False})), + repeat([True]), + ) + ) + + list(zip(all_sklearn_regressors, repeat(convert_sklearn), repeat(False))) + + [ + (LGBMClassifier, partial(convert_lightgbm, zipmap=False), True), + (LGBMRegressor, convert_lightgbm, False), + (XGBClassifier, convert_xgboost, True), + (XGBRegressor, convert_xgboost, False), + ] + ), +) +def test_tlearner_onnx( + nuisance_model_factory, onnx_converter, is_classification, onnx_dataset +): + supports_categoricals = nuisance_model_factory in [ + LGBMClassifier, + LGBMRegressor, + # convert_sklearn does not support categoricals https://github.com/onnx/sklearn-onnx/issues/1051 + # HistGradientBoostingClassifier, + # HistGradientBoostingRegressor, + # convert_xgboost does not support categoricals https://github.com/onnx/onnxmltools/issues/469#issuecomment-1993880910 + # XGBClassifier, + # XGBRegressor, + ] + + nuisance_model_params: Params | None + if nuisance_model_factory in [RadiusNeighborsClassifier, RadiusNeighborsRegressor]: + nuisance_model_params = {"radius": 10} + elif nuisance_model_factory in [ + HistGradientBoostingClassifier, + HistGradientBoostingRegressor, + ]: + # This is unnecessary for now but if at some point convert_sklearn supports categoricals this is needed + nuisance_model_params = {"categorical_features": "from_dtype"} + elif nuisance_model_factory in [XGBClassifier, XGBRegressor]: + # This is unnecessary for now but if at some point convert_xgboost supports categoricals this is needed + nuisance_model_params = {"enable_categorical": True} + else: + nuisance_model_params = None + + X_numerical, X_with_categorical, y_class, y_reg, w = onnx_dataset + n_numerical_features = X_numerical.shape[1] + + if supports_categoricals: + X = X_with_categorical + n_categorical_features = X.shape[1] - n_numerical_features + else: + X = X_numerical + n_categorical_features = 0 + n_variants = len(np.unique(w)) + if is_classification: + y = y_class + else: + y = y_reg + + ml = TLearner( + is_classification, + n_variants, + nuisance_model_factory=nuisance_model_factory, + nuisance_model_params=nuisance_model_params, + n_folds=2, + ) + ml.fit(X, y, w) + + necessary_models = ml._necessary_onnx_models() + onnx_models: dict[str, list[ModelProto]] = {} + + for model_kind, models in necessary_models.items(): + onnx_models[model_kind] = [] + for model in models: + onnx_models[model_kind].append( + onnx_converter( + model, + initial_types=[ + ( + "X", + FloatTensorType( + [None, n_numerical_features + n_categorical_features] + ), + ) + ], + ) + ) + + final = ml._build_onnx(onnx_models) + sess = rt.InferenceSession( + final.SerializeToString(), providers=rt.get_available_providers() + ) + + if supports_categoricals: + onnx_X = X.to_numpy(np.float32) + # This is needed for categoricals as LGBM uses the categorical codes, when + # other implementations support categoricals this may need to be changed + for i in range(n_categorical_features): + onnx_X[:, n_numerical_features + i] = X[n_numerical_features + i].cat.codes + else: + onnx_X = X.astype(np.float32) + + (pred_onnx,) = sess.run( + ["tau"], + {"X": onnx_X}, + ) + np.testing.assert_allclose(ml.predict(X, True, "overall"), pred_onnx, atol=5e-4) diff --git a/tests/test_utils.py b/tests/test_utils.py index c3f334ec..d88b5d14 100644 --- a/tests/test_utils.py +++ b/tests/test_utils.py @@ -2,11 +2,16 @@ # SPDX-License-Identifier: BSD-3-Clause import numpy as np +import pandas as pd import pytest from lightgbm import LGBMRegressor from metalearners.metalearner import MetaLearner -from metalearners.utils import metalearner_factory, simplify_output +from metalearners.utils import ( + FixedBinaryPropensity, + metalearner_factory, + simplify_output, +) @pytest.mark.parametrize("prefix", ["T"]) @@ -52,3 +57,57 @@ def test_simplify_output(input, expected): def test_simplify_output_raises(input): with pytest.raises(ValueError, match="needs to be 3-dimensional"): simplify_output(input) + + +@pytest.mark.parametrize("use_pd", [True, False]) +def test_fixed_binary_propensity(use_pd): + propensity_score = 0.3 + dominant_class = propensity_score >= 0.5 + + model = FixedBinaryPropensity(propensity_score=propensity_score) + + n_samples = 5 + X_train = np.ones((n_samples, 5)) + y_train = np.ones(n_samples) + if use_pd: + X_train = pd.DataFrame(X_train) + y_train = pd.Series(y_train) + + model.fit(X_train, y_train) + + n_test_samples = 3 + X_test = np.zeros(n_test_samples) + + class_predictions = model.predict(X_test) + assert np.array_equal( + class_predictions, np.array(np.ones(n_test_samples) * dominant_class) + ) + + probability_estimates = model.predict_proba(X_test) + assert np.array_equal( + probability_estimates, + np.column_stack( + ( + np.ones(n_test_samples) * (1 - propensity_score), + np.ones(n_test_samples) * propensity_score, + ) + ), + ) + + +@pytest.mark.parametrize("propensity_score", [-1, 100, 1.1]) +def test_fixed_binary_propensity_not_a_propbability(propensity_score): + with pytest.raises(ValueError, match="between 0 and 1 but got"): + FixedBinaryPropensity(propensity_score=propensity_score) + + +def test_fixed_binary_propensity_non_binary(): + propensity_score = 0.3 + + model = FixedBinaryPropensity(propensity_score=propensity_score) + + n_samples = 5 + X_train = np.ones((n_samples, 5)) + y_train = np.fromiter(range(n_samples), dtype=int) + with pytest.raises(ValueError, match="only supports binary outcomes"): + model.fit(X_train, y_train) diff --git a/tests/test_xlearner.py b/tests/test_xlearner.py new file mode 100644 index 00000000..64e22395 --- /dev/null +++ b/tests/test_xlearner.py @@ -0,0 +1,136 @@ +# Copyright (c) QuantCo 2024-2024 +# SPDX-License-Identifier: BSD-3-Clause + +import random +from functools import partial +from itertools import repeat + +import numpy as np +import onnxruntime as rt +import pytest +from lightgbm import LGBMClassifier, LGBMRegressor +from onnx import ModelProto +from onnxconverter_common.data_types import FloatTensorType +from onnxmltools import convert_lightgbm, convert_xgboost +from skl2onnx import convert_sklearn +from sklearn.neighbors import RadiusNeighborsClassifier, RadiusNeighborsRegressor +from xgboost import XGBClassifier, XGBRegressor + +from metalearners import XLearner +from metalearners._typing import Params +from metalearners.xlearner import CONTROL_EFFECT_MODEL, TREATMENT_EFFECT_MODEL + +from .conftest import all_sklearn_classifiers, all_sklearn_regressors + + +@pytest.mark.parametrize( + "treatment_model_factory, treatment_onnx_converter", + random.sample( # With this we run a different set of tests every time as running all of them is too costly (there are ~50 regressors and classifiers) + list( + zip( + all_sklearn_regressors, + repeat(convert_sklearn), + ) + ) + + [ + (LGBMRegressor, convert_lightgbm), + (XGBRegressor, convert_xgboost), + ], + 4, + ), +) +@pytest.mark.parametrize( + "propensity_model_factory, propensity_onnx_converter", + random.sample( + list( + zip( + all_sklearn_classifiers, + [partial(convert_sklearn, options={"zipmap": False})] + * len(all_sklearn_classifiers), + ) + ) + + [ + (LGBMClassifier, partial(convert_lightgbm, zipmap=False)), + (XGBClassifier, convert_xgboost), + ], + 4, + ), +) +@pytest.mark.parametrize("is_classification", [True, False]) +def test_xlearner_onnx( + treatment_model_factory, + propensity_model_factory, + treatment_onnx_converter, + propensity_onnx_converter, + is_classification, + onnx_dataset, +): + treatment_model_params: Params | None + if treatment_model_factory == RadiusNeighborsRegressor: + treatment_model_params = {"radius": 10} + else: + treatment_model_params = None + propensity_model_params: Params | None + if propensity_model_factory == RadiusNeighborsClassifier: + propensity_model_params = {"radius": 10} + else: + propensity_model_params = None + + X, _, y_class, y_reg, w = onnx_dataset + n_numerical_features = X.shape[1] + n_variants = len(np.unique(w)) + if is_classification: + y = y_class + nuisance_model_factory = LGBMClassifier + else: + y = y_reg + nuisance_model_factory = LGBMRegressor + + nuisance_model_params = {"n_estimators": 1} + + ml = XLearner( + is_classification, + n_variants, + nuisance_model_factory=nuisance_model_factory, + nuisance_model_params=nuisance_model_params, + propensity_model_factory=propensity_model_factory, + propensity_model_params=propensity_model_params, + treatment_model_factory=treatment_model_factory, + treatment_model_params=treatment_model_params, + n_folds=2, + ) + ml.fit(X, y, w) + + necessary_models = ml._necessary_onnx_models() + onnx_models: dict[str, list[ModelProto]] = {} + + for model_kind, models in necessary_models.items(): + onnx_models[model_kind] = [] + if model_kind in [CONTROL_EFFECT_MODEL, TREATMENT_EFFECT_MODEL]: + onnx_converter = treatment_onnx_converter + else: + onnx_converter = propensity_onnx_converter + for model in models: + onnx_models[model_kind].append( + onnx_converter( + model, + initial_types=[ + ( + "X", + FloatTensorType([None, n_numerical_features]), + ) + ], + ) + ) + + final = ml._build_onnx(onnx_models) + + sess = rt.InferenceSession( + final.SerializeToString(), providers=rt.get_available_providers() + ) + + (pred_onnx,) = sess.run( + ["tau"], + {"X": X.astype(np.float32)}, + ) + np.testing.assert_allclose(ml.predict(X, True, "overall"), pred_onnx, atol=5e-4)