diff --git a/.gitignore b/.gitignore index 4b53e81ace..7ad59121af 100644 --- a/.gitignore +++ b/.gitignore @@ -109,3 +109,5 @@ docs/source/example_notebooks/*.png docs/source/example_notebooks/lalonde.csv docs/source/example_notebooks/lalonde.csv dowhy-docs + +*.DS_Store diff --git a/docs/source/_static/cps2015-shapley-values.png b/docs/source/_static/cps2015-shapley-values.png new file mode 100644 index 0000000000..49e3b2c3c6 Binary files /dev/null and b/docs/source/_static/cps2015-shapley-values.png differ diff --git a/docs/source/example_notebooks/cps2015.csv b/docs/source/example_notebooks/cps2015.csv new file mode 100644 index 0000000000..7211e0f508 --- /dev/null +++ b/docs/source/example_notebooks/cps2015.csv @@ -0,0 +1,32524 @@ +"","wage","lnw","widowed","divorced","separated","nevermarried","married","weight","female","lhs","hsg","sc","cg","ad","mw","so","we","ne","exp1","exp2","exp3","exp4","occ","occ2","ind","ind2" 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this notebook, we investigate how much of the gender wage gap in real census data can be attributed to differences in education or occupation between women and men. We use the multiply-robust causal change attribution method from the following paper:\n", + ">Quintas-MartĂ­nez, V., Bahadori, M. T., Santiago, E., Mu, J. and Heckerman, D. \"Multiply-Robust Causal Change Attribution,\" *Proceedings of the 41 st International Conference on Machine Learning*, Vienna, Austria. PMLR 235, 2024." + ] + }, + { + "cell_type": "markdown", + "id": "ad74db4b-2c96-4d97-86e6-ef0a5dc6ff69", + "metadata": {}, + "source": [ + "### Read and prepare data\n", + "\n", + "We will be working with data from the Current Population Survey (CPS) 2015. After applying the same sample restrictions as [Chernozhukov et al. (2018)](https://arxiv.org/abs/1512.05635), the resulting sample contains 18,137 male and 14,382 female employed individuals." + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "6e926b16-37e2-4921-9afb-1c99db9c9feb", + "metadata": { + "tags": [] + }, + "outputs": [], + "source": [ + "import pandas as pd\n", + "\n", + "# Read and prepare data:\n", + "df = pd.read_csv('./cps2015.csv')\n", + "\n", + "# LightGBM works best with integer encoding for categorical variables:\n", + "educ_int = {'lhs' : 0, 'hsg' : 1, 'sc' : 2, 'cg' : 3, 'ad' : 4}\n", + "df['education'] = pd.from_dummies(df[['lhs', 'hsg', 'sc', 'cg', 'ad']])\n", + "df['education'] = df['education'].replace(educ_int)\n", + "\n", + "df = df[['female', 'education', 'occ2', 'wage', 'weight']]\n", + "df.columns = ['female', 'education', 'occupation', 'wage', 'weight']\n", + "df[['education', 'occupation']] = df[['education', 'occupation']].astype('category')\n", + "\n", + "# We want to explain the change Male -> Female:\n", + "data_old, data_new = df.loc[df.female == 0], df.loc[df.female == 1]" + ] + }, + { + "cell_type": "markdown", + "id": "8c4f1dd7-0f59-4a78-ab30-6e8ab80d11f7", + "metadata": {}, + "source": [ + "### Causal Model\n", + "\n", + "To use our causal change attribution method, we need a causal model linking the outcome (wage) and explanatory variables. (In practice, the method only requires knowing a *causal ordering*.) We will work with the following DAG:\n", + "\n", + "\n", + "\n", + "The DAG above implies the following causal Markov factorization of the distribution of the data:\n", + "$$P(\\mathtt{wage} \\mid \\mathtt{occup}, \\mathtt{educ}) \\times P(\\mathtt{occup} \\mid \\mathtt{educ}) \\times P(\\mathtt{educ})$$\n", + "Each of the components of this factorization (the distribution of each node in the DAG given its direct causes) is called a *causal mechanism*. Differences in the marginal distribution of the wage between men and women could be due to differences in each causal mechanism. Our goal is going to be to disentangle the contribution of each one to the total change.\n", + "\n", + "In the code below, we define a ```dowhy.gcm``` causal model:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "2ca5daf9-be47-4c12-bd02-bb5b01014e0c", + "metadata": {}, + "outputs": [], + "source": [ + "import networkx as nx\n", + "import dowhy.gcm as gcm\n", + "\n", + "dag = nx.DiGraph([('education', 'occupation'), ('occupation', 'wage'), ('education', 'wage')])\n", + "causal_model = gcm.ProbabilisticCausalModel(dag)" + ] + }, + { + "cell_type": "markdown", + "id": "10562621-f29c-463d-97b3-8f073a53be86", + "metadata": {}, + "source": [ + "### Implementation with ```dowhy.gcm.distribution_change_robust```\n", + "\n", + "First, we show how to compute a causal change attribution measure (Shapley values) using the ```dowhy.gcm.distribution_change_robust``` function.\n", + "\n", + "The multiply-robust causal change attribution method is based on a combination of *regression* and *re-weighting* approaches. In the regression approach, we learn the dependence between a node and its parents in one sample, and then use the data from the other sample to shift the distribution of that node. In the re-weighting approach, we average the data giving more weight to those observations that closely resemble the target distribution. \n", + "\n", + "By default, ```dowhy.gcm.distribution_change_robust``` uses linear and logistic regression to learn the regression function and the weights. Here, since our dataset is quite large, we will use the more flexible algorithms ```HistGradientBoostingRegressor``` and ```HistGradientBoostingClassifier``` instead.\n", + "\n", + "We also use ```IsotonicRegression``` to calibrate the probabilities that make up the weights for the re-weighting approach on a leave-out calibration sample. This is optional, but it has been shown to improve the performance of the method in simulations.\n", + "\n", + "Finally, since our dataset is large, we will use sample splitting (rather than cross-fitting). That is, we will randomly split our data in a training set, where we learn the regression and weights, and an evaluation set, where we use the regression and weights to compute the final attribution measures." + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "39dcb294-25df-4358-81cb-3ee5a41e0419", + "metadata": { + "tags": [] + }, + "outputs": [], + "source": [ + "from sklearn.ensemble import HistGradientBoostingRegressor, HistGradientBoostingClassifier\n", + "from sklearn.isotonic import IsotonicRegression\n", + "from dowhy.gcm.ml.classification import SklearnClassificationModelWeighted\n", + "from dowhy.gcm.ml.regression import SklearnRegressionModelWeighted\n", + "from dowhy.gcm.util.general import auto_apply_encoders, auto_fit_encoders, shape_into_2d\n", + "\n", + "def make_custom_regressor():\n", + " return SklearnRegressionModelWeighted(HistGradientBoostingRegressor(random_state = 0))\n", + "\n", + "def make_custom_classifier():\n", + " return SklearnClassificationModelWeighted(HistGradientBoostingClassifier(random_state = 0))\n", + "\n", + "def make_custom_calibrator():\n", + " return SklearnRegressionModelWeighted(IsotonicRegression(out_of_bounds = 'clip'))\n", + "\n", + "gcm.distribution_change_robust(causal_model, data_old, data_new, 'wage', sample_weight = 'weight',\n", + " xfit = False, calib_size = 0.2,\n", + " regressor = make_custom_regressor,\n", + " classifier = make_custom_classifier,\n", + " calibrator = make_custom_calibrator)" + ] + }, + { + "cell_type": "markdown", + "id": "34e901d2-34aa-4cf0-a426-5e41eebf9d40", + "metadata": {}, + "source": [ + "The function returns a dictionary, where each value is the Shapley Value causal attribution measure for the causal mechanism corresponding to the key. (See the research paper for a formal definition of Shapley Values.) We give a more in depth interpretation of the results in the final section of this notebook." + ] + }, + { + "cell_type": "markdown", + "id": "47a109db-74a7-4826-9a80-1afcafb073ee", + "metadata": {}, + "source": [ + "### Manual Implementation (Advanced)\n", + "\n", + "Second, we show how to implement the method more directly with the class ```dowhy.gcm.distribution_change_robust.ThetaC```, which allows for more advanced capabilities, including computing standard errors via the Gaussian multiplier bootstrap (see below)." + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "f7febdc3-8c1e-46cf-816b-4a62251d641b", + "metadata": { + "tags": [] + }, + "outputs": [], + "source": [ + "from sklearn.model_selection import StratifiedKFold, train_test_split\n", + "\n", + "# Split data into train and test set:\n", + "X = df[['education', 'occupation']].values\n", + "y = df['wage'].values\n", + "T = df['female'].values\n", + "w = df['weight'].values\n", + "\n", + "# To get the same train-test split:\n", + "kf = StratifiedKFold(n_splits = 2, shuffle = True, random_state = 0)\n", + "train_index, test_index = next(kf.split(X, T))\n", + "\n", + "X_train, X_eval, y_train, y_eval, T_train, T_eval = X[train_index], X[test_index], y[train_index], y[test_index], T[train_index], T[test_index]\n", + "w_train, w_eval = w[train_index], w[test_index]\n", + "\n", + "X_calib, X_train, _, y_train, T_calib, T_train, w_calib, w_train = train_test_split(X_train, y_train, T_train, w_train, \n", + " train_size = 0.2, stratify = T_train, random_state = 0)" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "5f9e1bad-ae6e-432d-bbb8-1f65ab7bbab6", + "metadata": { + "tags": [] + }, + "outputs": [], + "source": [ + "import itertools\n", + "from dowhy.gcm.distribution_change_robust import ThetaC\n", + "import numpy as np\n", + "from math import comb\n", + "\n", + "# All combinations of 0s and 1s, needed for Shapley Values:\n", + "all_combos = [list(i) for i in itertools.product([0, 1], repeat=3)]\n", + "all_combos_minus1 = [list(i) for i in itertools.product([0, 1], repeat=2)]\n", + "\n", + "# Dictionary to store the multiply-robust scores, will be used later for bootstrap:\n", + "scores = {}\n", + "\n", + "# Here we compute the theta^c parameters that make up the Shapley Values (see paper):\n", + "for C in all_combos:\n", + " scores[''.join(str(x) for x in C)] = ThetaC(C).est_scores(\n", + " X_eval,\n", + " y_eval,\n", + " T_eval,\n", + " X_train,\n", + " y_train,\n", + " T_train,\n", + " w_eval=w_eval,\n", + " w_train=w_train,\n", + " X_calib=X_calib,\n", + " T_calib=T_calib,\n", + " w_calib=w_calib,\n", + " regressor = make_custom_regressor,\n", + " classifier = make_custom_classifier,\n", + " calibrator = make_custom_calibrator)\n", + "\n", + "# This function combines the theta^c parameters to obtain Shapley values:\n", + "w_sort = np.concatenate((w_eval[T_eval==0], w_eval[T_eval==1])) # Order weights in same way as scores\n", + "\n", + "def compute_attr_measure(res_dict, path=False):\n", + " # Alternative to Shapley Value: along-a-causal-path (see paper)\n", + " if path: \n", + " path = np.zeros(3)\n", + " path[0] = np.average(res_dict['100'], weights=w_sort) - np.average(res_dict['000'], weights=w_sort)\n", + " path[1] = np.average(res_dict['110'], weights=w_sort) - np.average(res_dict['100'], weights=w_sort)\n", + " path[2] = np.average(res_dict['111'], weights=w_sort) - np.average(res_dict['110'], weights=w_sort)\n", + " return path\n", + " \n", + " # Shapley values:\n", + " else: \n", + " shap = np.zeros(3)\n", + " for k in range(3):\n", + " sv = 0.0\n", + " for C in all_combos_minus1:\n", + " C1 = np.insert(C, k, True)\n", + " C0 = np.insert(C, k, False)\n", + " chg = (np.average(res_dict[''.join(map(lambda x : str(int(x)), C1))], weights=w_sort) - \n", + " np.average(res_dict[''.join(map(lambda x : str(int(x)), C0))], weights=w_sort))\n", + " sv += chg/(3*comb(2, np.sum(C)))\n", + " shap[k] = sv\n", + " return shap\n", + "\n", + "shap = compute_attr_measure(scores, path=False)\n", + "shap # Should coincide with the above" + ] + }, + { + "cell_type": "markdown", + "id": "feb423b1-52ef-4e5b-a3be-589cbe70bbc8", + "metadata": {}, + "source": [ + "Thanks to the multiple robustness property, we can compute standard errors using a quick form of the bootstrap, which does not require re-estimating the regression and weights at each bootstrap iteration. Instead, we just re-weight the data using i.i.d. Normal(0, 1) draws." + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "e6d0b582-20c6-476b-a07c-9d336ccda3fa", + "metadata": { + "tags": [] + }, + "outputs": [], + "source": [ + "w_sort = np.concatenate((w_eval[T_eval==0], w_eval[T_eval==1])) # Order weights in same way as scores\n", + "\n", + "def mult_boot(res_dict, Nsim=1000, path=False):\n", + " thetas = np.zeros((8, Nsim))\n", + " attr = np.zeros((3, Nsim))\n", + " for s in range(Nsim):\n", + " np.random.seed(s)\n", + " new_scores = {}\n", + " for k, x in res_dict.items():\n", + " new_scores[k] = x + np.random.normal(0,1, X_eval.shape[0])*(x - np.average(x, weights=w_sort))\n", + " thetas[:, s] = np.average(np.array([x for k, x in new_scores.items()]), axis=1, weights=w_sort)\n", + " attr[:, s] = compute_attr_measure(new_scores, path)\n", + " return np.std(attr, axis=1)\n", + " \n", + "shap_se = mult_boot(scores, path=False)\n", + "shap_se" + ] + }, + { + "cell_type": "markdown", + "id": "2cb64bab-fcf3-4a32-ad8b-16da0b26536c", + "metadata": {}, + "source": [ + "We can present the results visually in a graph, as in the paper:" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "95ec0312-84c2-4405-a823-740c98482090", + "metadata": { + "tags": [] + }, + "outputs": [], + "source": [ + "from scipy.stats import norm\n", + "from statsmodels.stats.weightstats import DescrStatsW\n", + "from matplotlib.patches import Rectangle\n", + "import matplotlib.pyplot as plt\n", + "\n", + "# Significance stars:\n", + "def star(est, se):\n", + " if np.abs(est/se)`_ Proceedings of The 24th International Conference on Artificial Intelligence and Statistics, PMLR 130:1666-1674, 2021. +Additionally, for explaining changes in the mean of the target variable (or other mean-like summary statistics), +DoWhy implements a multiply-robust causal change attribution method, which uses a combination of regression and re-weighting +to make the final estimates less sensitive to estimation error. This method was presented in the following paper: + + Quintas-Martinez, V., Bahadori, M. T., Santiago, E., Mu, J., Janzing, D., and Heckerman, D. `Multiply-Robust Causal Change Attribution ` + Proceedings of the 41st International Conference on Machine Learning, Vienna, Austria. PMLR 235, 2024. How to use it ^^^^^^^^^^^^^^ @@ -54,7 +60,18 @@ Finally, we attribute changes in distributions of :math:`W` to changes in causal Although the distribution of :math:`W` has changed as well, the method attributes the change almost completely to :math:`Z` with negligible scores for the other variables. This is in line with our expectations since we only altered the mechanism of -:math:`Z`. Note that the unit of the scores depends on the used measure (see the next section). +:math:`Z`. + +The multiply-robust method works similarly: + +>>> attributions_robust = gcm.distribution_change_robust(causal_model, data_old, data_new, 'W') +>>> attributions_robust +{W: 0.012386916935751025, X: -0.0002994129507127999, Y: 0.006618489296759587, Z: 0.6448455410771148} + +As before, we estimate a large attribution score for :math:`Z`, and a score close to 0 for the other variables. +Note that the unit of the attribution scores depends on the used measure (see the next section). By default, +``distribution_change`` decomposes changes in the KL divergence to the original distribution, whereas +``distribution_change_robust`` decomposes changes in the mean of the target node :math:`W`. As the reader may have noticed, there is no fitting step involved when using this method. The reason is, that this function will call ``fit`` internally. To be precise, this function will @@ -67,12 +84,12 @@ Related example notebooks - :doc:`../../../example_notebooks/gcm_rca_microservice_architecture` - :doc:`../../../example_notebooks/gcm_online_shop` - :doc:`../../../example_notebooks/gcm_supply_chain_dist_change` - +- :doc:`../../../example_notebooks/gcm_cps2015_dist_change_robust.ipynb` Understanding the method ^^^^^^^^^^^^^^^^^^^^^^^^ -The idea behind this method is to *systematically* replace the causal mechanism learned based on the old dataset with +The idea behind these methods is to *systematically* replace the causal mechanism learned based on the old dataset with the mechanism learned based on the new dataset. After each replacement, new samples are generated for the target node, where the data generation process is a mixture of old and new mechanisms. Our goal is to identify the mechanisms that have changed, which would lead to a different marginal distribution of the target, while unchanged mechanisms would result @@ -81,7 +98,13 @@ replace the mechanisms. This enables us to identify which nodes have changed and respect to some measure. Note that a change in the mechanism could be due to a functional change in the underlying model or a change in the (unobserved) noise distribution. However, both changes would lead to a change in the mechanism. -The steps here are as follows: +The main difference between ``distribution_change`` and ``distribution_change_robust`` is in how the attribution measures are computed. +``distribution_change`` first learns the conditional distributions of each node in the 'old' and in the 'new' data, and then uses these +estimates to compute the attribution measure. ``distribution_change_robust`` does not learn the entire conditional distributions, but +rather the conditional means (regression) and importance weights (re-weighting), which are then combined to compute the attribution measure. +The final step, using Shapley values to combine these attribution measures into a meaningful score, is the same for both methods. + +The steps in ``distribution_change`` are as follows: .. image:: dist_change.png :align: center @@ -93,3 +116,12 @@ The steps here are as follows: 4. Attribute the change in the marginal given :math:`T` to :math:`X_j` using Shapley values by comparing :math:`P^{X_n}_{T \bigcup \{j\}}` and :math:`P^{X_n}_{T}`. Here, we can use different measures to capture the change, such as KL divergence to the original distribution or difference in variances etc. For more detailed explanation, see the corresponding paper: `Why did the distribution change? `_ + +The steps in ``distribution_change_robust`` are the following: + +1. Learn the regression functions: Using a regression algorithm, we estimate the dependence between each node and its parents in the 'new' data if we wish to shift its causal mechanism, or in the 'old' data, if we wish to keep that node unchanged. +2. Learn the importance weights: Using a classification algorithm, we estimate importance weights that place higher weight on data points where a given causal mechanism resembles the 'new' data more. +3. A combination of the regressions and the weights allows us to estimate the mean of the target node under the distribution :math:`\tilde P^{X_n}_T = \sum_{x_1, ..., x_{n-1}} \prod_{j \in T} \tilde P_{X_j | PA_j} \prod_{j \notin T} P_{X_j | PA_j}`, where the causal mechanisms in :math:`T \subseteq \{1, ..., n\}` have been shifted to be as in the 'new' data. +4. Attribute the change in the marginal given :math:`T` to :math:`X_j` using Shapley values by comparing :math:`P^{X_n}_{T \bigcup \{j\}}` and :math:`P^{X_n}_{T}`. + +For more detailed explanation, see the corresponding paper: `Multiply-Robust Causal Change Attribution `_ diff --git a/dowhy/gcm/__init__.py b/dowhy/gcm/__init__.py index c0aefcf2cc..74a6eb1621 100644 --- a/dowhy/gcm/__init__.py +++ b/dowhy/gcm/__init__.py @@ -16,6 +16,7 @@ from .confidence_intervals_cms import bootstrap_sampling, fit_and_compute from .density_estimators import GaussianMixtureDensityEstimator, KernelDensityEstimator1D from .distribution_change import distribution_change, distribution_change_of_graphs +from .distribution_change_robust import distribution_change_robust from .feature_relevance import feature_relevance_distribution, feature_relevance_sample, parent_relevance from .fitting_sampling import draw_samples, fit from .independence_test import ( diff --git a/dowhy/gcm/distribution_change_robust.py b/dowhy/gcm/distribution_change_robust.py new file mode 100644 index 0000000000..6698ba14da --- /dev/null +++ b/dowhy/gcm/distribution_change_robust.py @@ -0,0 +1,817 @@ +""" +This module implements the estimators for causal change attribution in the following paper: +Quintas-Martinez, V., Bahadori, M. T., Santiago, E., Mu, J., Janzing, D., and Heckerman, D. +Multiply-Robust Causal Change Attribution, Proceedings of the 41st International Conference on +Machine Learning, Vienna, Austria. PMLR 235, 2024. +https://arxiv.org/abs/2404.08839 +""" + +import warnings +from itertools import groupby +from typing import Any, Callable, Dict, Literal, Optional, Tuple + +import networkx as nx +import numpy as np +import pandas as pd +from sklearn.base import is_classifier, is_regressor +from sklearn.model_selection import StratifiedKFold, train_test_split +from statsmodels.stats.weightstats import DescrStatsW + +from dowhy.gcm.causal_models import ProbabilisticCausalModel +from dowhy.gcm.ml.classification import ClassificationModel, create_logistic_regression_classifier +from dowhy.gcm.ml.prediction_model import PredictionModel +from dowhy.gcm.ml.regression import create_linear_regressor +from dowhy.gcm.shapley import ShapleyConfig, estimate_shapley_values +from dowhy.graph import node_connected_subgraph_view + + +class ThetaC: + """Implements three estimators (regression, re-weighting, MR) for causal change attribution.""" + + def __init__( + self, C: np.ndarray, h_fn: Callable[[np.ndarray], np.ndarray] = lambda y: y, warn_th: float = 1e-3 + ) -> None: + """ + Inputs: + C = the change vector (a K+1 list of 0s and 1s). + h_fn = the functional of interest. By default, the mean of y. + warn_th = the threshold that generates warning about re-weighting + warn_th = the threshold that generates warning about re-weighting + """ + + if any(x not in (0, 1) for x in C): + raise ValueError(f"C must be a vector of 0s and 1s.") + + self.C = C + self.h_fn = h_fn + self.reg_dict = {} # A dictionary to store the trained regressors + self.cla_dict = {} # A dictionary to store the trained classifiers + self.calib_dict = {} # A dictionary to store the trained calibrators + self.alpha_dict = {} # A dictionary to store the fitted weights alpha_k (Theorem 2.4) + self.warn_th = warn_th # The threshold that generates warning about re-weighting + self.warn_th = warn_th # The threshold that generates warning about re-weighting + + def _simplify_C(self, all_indep: bool = False) -> None: + """ + This function applies some simplifications to the change vector C, + discussed in Appendix C of the paper. + + It creates: + self.K_simpl: the number of groups after simplification (excluding the group that contains the outcome Y). + self.C_simpl: the simplified change vector (a list of tuple. The first element in each tuple is a 0 or 1, + corresponding to the distribution we want to fix for the variables in that group. The second + element is a list containing the indices of the variables in that group). + + Inputs: + all_indep = boolean, True if all explanatory variables are independent. + """ + + # When all variables are independent (Example C.4), simplify to a group of 0s and a group of 1s (regardless of order). + if all_indep: + unique = np.unique(self.C) + self.C_simpl = sorted( + [(c, [i for i in range(len(self.C)) if self.C[i] == c]) for c in unique], + key=lambda a: np.max(a[1]), + ) + + # Otherwise, we just group the consecutive values (Remark C.1). + else: + self.C_simpl = [(c, list(inds)) for c, inds in groupby(range(len(self.C)), lambda i: self.C[i])] + + self.K_simpl = len(self.C_simpl) - 1 + + def _train_reg( + self, + X_train: np.ndarray, + y_train: np.ndarray, + T_train: np.ndarray, + w_train: Optional[np.ndarray] = None, + regressor: PredictionModel = create_linear_regressor, + ) -> None: + """ + This function trains the nested regression estimators, that will be stored in self.reg_dict. + + Inputs: + X_train = (n_train, K) np.ndarray with the X data (explanatory variables) for the training set. + y_train = (n_train,) np.ndarray with the Y data (outcome) for the training set. + T_train = (n_train,) np.ndarray with the T data (sample indicator) for the training set. + w_train = optional (n_train,) np.ndarray with sample weights for the train data. + X_train = (n_train, K) np.ndarray with the X data (explanatory variables) for the training set. + y_train = (n_train,) np.ndarray with the Y data (outcome) for the training set. + T_train = (n_train,) np.ndarray with the T data (sample indicator) for the training set. + w_train = optional (n_train,) np.ndarray with sample weights for the train data. + + regressor = the regression estimator: a class supporting .fit and .predict methods. + """ + + # Train gamma_K: + ind = T_train == self.C_simpl[-1][0] # Select sample C_{K+1} \in {0,1} + var = [a for b in self.C_simpl[:-1] for a in b[1]] # Select right variables + self.reg_dict[self.K_simpl - 1] = regressor() + if w_train is not None: + self.reg_dict[self.K_simpl - 1].fit( + X_train[np.ix_(ind, var)], + self.h_fn(y_train[ind]), + sample_weight=w_train[ind], + ) + else: + self.reg_dict[self.K_simpl - 1].fit(X_train[np.ix_(ind, var)], self.h_fn(y_train[ind])) + + # Train gamma_k for k = K-1, K-2, ..., 1: + for k in range(2, self.K_simpl + 1): + ind = T_train == self.C_simpl[-k][0] # Select sample C_{k+1} \in {0,1} + var_new = [a for b in self.C_simpl[:-k] for a in b[1]] # Select right variables + # Use the fitted values from previous regression + new_y = self.reg_dict[self.K_simpl - k + 1].predict(X_train[np.ix_(ind, var)]) + self.reg_dict[self.K_simpl - k] = regressor() + if w_train is not None: + self.reg_dict[self.K_simpl - k].fit(X_train[np.ix_(ind, var_new)], new_y, sample_weight=w_train[ind]) + else: + self.reg_dict[self.K_simpl - k].fit(X_train[np.ix_(ind, var_new)], new_y) + var = var_new + + def _train_cla( + self, + X_train: np.ndarray, + T_train: np.ndarray, + X_eval: np.ndarray, + w_train: Optional[np.ndarray] = None, + classifier: ClassificationModel = create_logistic_regression_classifier, + calibrator: Optional[PredictionModel] = None, + X_calib: Optional[np.ndarray] = None, + T_calib: Optional[np.ndarray] = None, + w_calib: Optional[np.ndarray] = None, + ) -> None: + """ + This function trains the classification estimators for the weights, that will be stored in self.cla_dict. + If calibrator is not None, it also calibrates the probabilities on a calibration set. + + Inputs: + X_train = (n_train, K) np.ndarray with the X data (explanatory variables) for the training set. + T_train = (n_train,) np.ndarray with the T data (sample indicator) for the training set. + X_eval = (n_eval, K) np.ndarray with the X data (explanatory variables) for the evaluation set. + X_train = (n_train, K) np.ndarray with the X data (explanatory variables) for the training set. + T_train = (n_train,) np.ndarray with the T data (sample indicator) for the training set. + X_eval = (n_eval, K) np.ndarray with the X data (explanatory variables) for the evaluation set. + Used only to give a warning about low overlap. + w_train = optional (n_train,) np.ndarray with sample weights for the training set. + w_train = optional (n_train,) np.ndarray with sample weights for the training set. + + classifier = the classification estimator: a class supporting .fit and .predict_probabilities methods. + + calibrator = Optional, a method for probability calibration on a calibration set. + This could be a regressor (e.g. sklearn.isotonic.IsotonicRegression) or + a classifier (e.g. sklearn.LogisticRegression). + No need to do this if classifier is a sklearn.calibration.CalibratedClassifierCV learner. + + X_calib = (n_calib, K) np.ndarray with the X data (explanatory variables) for the calibration set. + T_calib = (n_calib,) np.ndarray with the T data (sample indicator) for the calibration set. + w_calib = optional (n_calib,) np.ndarray with sample weights for the calibration set. + X_calib = (n_calib, K) np.ndarray with the X data (explanatory variables) for the calibration set. + T_calib = (n_calib,) np.ndarray with the T data (sample indicator) for the calibration set. + w_calib = optional (n_calib,) np.ndarray with sample weights for the calibration set. + """ + + # Train classifiers that will go into alpha_k for k = 1, ..., K: + for k in range(self.K_simpl): + var = [a for b in self.C_simpl[: (k + 1)] for a in b[1]] # Select right variables + self.cla_dict[k] = classifier() + if w_train is not None: + self.cla_dict[k].fit(X_train[:, var], T_train, sample_weight=w_train) + else: + self.cla_dict[k].fit(X_train[:, var], T_train) + + # For the case where you want to calibrate on different data, + # No need if classifier is CalibratedClassifierCv + if calibrator is not None: + proba = self.cla_dict[k].predict_probabilities(X_calib[:, var])[:, [1]] + self.calib_dict[k] = calibrator() + if w_train is not None: + self.calib_dict[k].fit(proba, T_calib, sample_weight=w_calib) + else: + self.calib_dict[k].fit(proba, T_calib) + + var = [a for b in self.C_simpl[:-1] for a in b[1]] # Select right variables + p = self.cla_dict[self.K_simpl - 1].predict_probabilities(X_eval[:, var])[:, 1] + + if np.min(p) < self.warn_th or np.max(p) > 1 - self.warn_th: + warnings.warn( + f"min P(T = 1 | X) = {np.min(p) :.2f}, max P(T = 1 | X) = {np.max(p) :.2f}, indicating low overlap. \n" + + "Consider increasing the regularization for the classificator or using method = 'regression'." + ) + + def _get_alphas( + self, + X_eval: np.ndarray, + T_eval: np.ndarray, + ratio: float, + calibrator: Optional[PredictionModel] = None, + crop: float = 1e-3, + ) -> None: + """ + This helper function uses the classifiers (and, if appropriate, the probability calibrators) + to compute the weights alpha_k (defined in Theorem 2.4 of the paper), + which are then stored in self.alpha_dict. + + Inputs: + k = int from 0 to K_simpl-1. + X_eval = (n_eval, K) np.ndarray with the X data (explanatory variables) for the evaluation set. + T_eval = (n_eval,) np.ndarray with the T data (sample indicator) for the evaluation set. + ratio = n1/n0 (unless the classifier has been trained with class weight, not supported yet). + X_eval = (n_eval, K) np.ndarray with the X data (explanatory variables) for the evaluation set. + T_eval = (n_eval,) np.ndarray with the T data (sample indicator) for the evaluation set. + ratio = n1/n0 (unless the classifier has been trained with class weight, not supported yet). + calibrator = Optional, a method for probability calibration on a calibration set. + This could be a regressor (e.g. sklearn.isotonic.IsotonicRegression) or + a classifier (e.g. sklearn.LogisticRegression). + No need to do this if classifier is a sklearn.calibration.CalibratedClassifierCV learner. + Used only to check if it is None. + crop = float, all predicted probabilities from the classifier will be cropped below at this lower bound, + and above at 1-crop. + + Returns: + alpha_k = (n0,) or (n1,) np.ndarray of alpha_k weights for sample C_{k+1} \in {0,1} + alpha_k = (n0,) or (n1,) np.ndarray of alpha_k weights for sample C_{k+1} \in {0,1} + """ + + for k in range(self.K_simpl): + ind = T_eval == self.C_simpl[k + 1][0] # Select sample C_{k+1} \in {0,1} + + # k = 0 doesn't have parents, get the marginal RN derivative. + if k == 0: + var = self.C_simpl[0][1] # Select right variables + p = np.minimum( + np.maximum(self.cla_dict[0].predict_probabilities(X_eval[np.ix_(ind, var)])[:, 1], crop), 1 - crop + ) + if calibrator is not None and is_regressor(calibrator): + p = np.minimum(np.maximum(self.calib_dict[0].predict(p[:, np.newaxis]), crop), 1 - crop) + elif calibrator is not None and is_classifier(calibrator): + p = np.minimum( + np.maximum(self.calib_dict[0].predict_probabilities(p[:, np.newaxis])[:, 1], crop), 1 - crop + ) + w = (1.0 - p) / p * ratio if self.C_simpl[k + 1][0] else p / (1.0 - p) * 1 / ratio + + # For k > 0 get the conditional RN derivative dividing the RN derivative for \bar{X}_j + # by the RN derivative for \bar{X}_{j-1}. + else: + var_joint = [a for b in self.C_simpl[: (k + 1)] for a in b[1]] # Variables up to k + p_joint = np.minimum( + np.maximum(self.cla_dict[k].predict_probabilities(X_eval[np.ix_(ind, var_joint)])[:, 1], crop), + 1 - crop, + ) + if calibrator is not None and is_regressor(calibrator): + p_joint = np.minimum(np.maximum(self.calib_dict[k].predict(p_joint[:, np.newaxis]), crop), 1 - crop) + elif calibrator is not None and is_classifier(calibrator): + p_joint = np.minimum( + np.maximum(self.calib_dict[k].predict_probabilities(p_joint[:, np.newaxis])[:, 1], crop), + 1 - crop, + ) + w_joint = (1 - p_joint) / p_joint if self.C_simpl[k + 1][0] else p_joint / (1 - p_joint) + + var_cond = [a for b in self.C_simpl[:k] for a in b[1]] # Variables up to k-1 + p_cond = np.minimum( + np.maximum(self.cla_dict[k - 1].predict_probabilities(X_eval[np.ix_(ind, var_cond)])[:, 1], crop), + 1 - crop, + ) + if calibrator is not None and is_regressor(calibrator): + p_cond = np.minimum( + np.maximum(self.calib_dict[k - 1].predict(p_cond[:, np.newaxis]), crop), 1 - crop + ) + if calibrator is not None and is_classifier(calibrator): + p = np.minimum( + np.maximum(self.calib_dict[k - 1].predict_probabilities(p_cond[:, np.newaxis])[:, 1], crop), + 1 - crop, + ) + w_cond = p_cond / (1 - p_cond) if self.C_simpl[k + 1][0] else (1 - p_cond) / p_cond + + w = w_joint * w_cond + + self.alpha_dict[k] = w * self.alpha_dict[k - 2] if k - 2 in self.alpha_dict.keys() else w + + # alpha_k should integrate to 1. In small samples this might not be the case, so we standardize: + self.alpha_dict[k] /= np.mean(self.alpha_dict[k]) + + def est_scores( + self, + X_eval: np.ndarray, + y_eval: np.ndarray, + T_eval: np.ndarray, + X_train: np.ndarray, + y_train: np.ndarray, + T_train: np.ndarray, + w_eval: Optional[np.ndarray] = None, + w_train: Optional[np.ndarray] = None, + method: Literal["regression", "re-weighting", "MR"] = "MR", + regressor: PredictionModel = create_linear_regressor, + classifier: ClassificationModel = create_logistic_regression_classifier, + calibrator: Optional[PredictionModel] = None, + X_calib: Optional[np.ndarray] = None, + T_calib: Optional[np.ndarray] = None, + w_calib: Optional[np.ndarray] = None, + all_indep: bool = False, + crop: float = 1e-3, + ) -> np.ndarray: + """ + This function computes the scores that are averaged to get each theta_hat. + These are psi_hat in the notation of Section 2.5 of the paper. + It is convenient to have a function that returns the scores, + rather than just theta_hat, to compute things like bootstrapped standard errors. + + Inputs: + X_eval = (n_eval, K) np.ndarray with the X data (explanatory variables) for the evaluation set. + y_eval = (n_eval,) np.ndarray with the Y data (outcome) for the evaluation set. + T_eval = (n_eval,) np.ndarray with the T data (sample indicator) for the evaluation set. + X_train = (n_train, K) np.ndarray with the X data (explanatory variables) for the training set. + y_train = (n_train,) np.ndarray with the Y data (outcome) for the training set. + T_train = (n_train,) np.ndarray with the T data (sample indicator) for the training set. + w_eval = optional (n_eval,) np.ndarray with sample weights for the evaluation set. + w_train = optional (n_train,) np.ndarray with sample weights for the training set. + X_eval = (n_eval, K) np.ndarray with the X data (explanatory variables) for the evaluation set. + y_eval = (n_eval,) np.ndarray with the Y data (outcome) for the evaluation set. + T_eval = (n_eval,) np.ndarray with the T data (sample indicator) for the evaluation set. + X_train = (n_train, K) np.ndarray with the X data (explanatory variables) for the training set. + y_train = (n_train,) np.ndarray with the Y data (outcome) for the training set. + T_train = (n_train,) np.ndarray with the T data (sample indicator) for the training set. + w_eval = optional (n_eval,) np.ndarray with sample weights for the evaluation set. + w_train = optional (n_train,) np.ndarray with sample weights for the training set. + + method = One of 'regression', 're-weighting', 'MR'. By default, 'MR'. + + regressor = the regression estimator: a class supporting .fit and .predict methods. + + classifier = the classification estimator: a class supporting .fit and .predict_probabilities methods. + + calibrator = Optional, a method for probability calibration on a calibration set. + This could be a regressor (e.g. sklearn.isotonic.IsotonicRegression) or + a classifier (e.g. sklearn.LogisticRegression). + No need to do this if classifier is a sklearn.calibration.CalibratedClassifierCV learner. + + X_calib = (n_calib, K) np.ndarray with the X data (explanatory variables) for the calibration set. + T_calib = (n_calib,) np.ndarray with the T data (sample indicator) for the calibration set. + w_calib = optional (n_calib,) np.ndarray with sample weights for the calibration set. + X_calib = (n_calib, K) np.ndarray with the X data (explanatory variables) for the calibration set. + T_calib = (n_calib,) np.ndarray with the T data (sample indicator) for the calibration set. + w_calib = optional (n_calib,) np.ndarray with sample weights for the calibration set. + + all_indep = boolean, True if all explanatory variables are independent (used for self._simplify_C). + crop = float, all predicted probabilities from the classifier will be cropped below at this lower bound, + and above at 1-crop. + + Returns: + theta_scores = (n_eval,) np.ndarray of scores, such that theta_hat = np.mean(theta_scores). + theta_scores = (n_eval,) np.ndarray of scores, such that theta_hat = np.mean(theta_scores). + """ + + if w_eval is None: + n0, n1, n = np.sum(1 - T_eval), np.sum(T_eval), T_eval.shape[0] + else: + n0, n1, n = np.sum(w_eval * (1 - T_eval)), np.sum(w_eval * T_eval), np.sum(w_eval) + + if len(self.C) != X_train.shape[1] + 1: + raise ValueError(f"len(C) must be K+1={X_train.shape[1]+1}, not {len(self.C)}") + + self._simplify_C(all_indep=all_indep) + + if self.K_simpl > 0: + if method == "regression": + self._train_reg( + X_train, + y_train, + T_train, + w_train=w_train, + regressor=regressor, + ) + + ind = T_eval == self.C_simpl[0][0] # Select sample C_1 \in {0,1} + var = self.C_simpl[0][1] # Select right variables + if self.C_simpl[0][0] == 1: + theta_scores = np.concatenate( + ( + np.zeros_like(y_eval[T_eval == 0]), + self.reg_dict[0].predict(X_eval[np.ix_(ind, var)]).flatten() * n / n1, + ) + ) + else: + theta_scores = np.concatenate( + ( + self.reg_dict[0].predict(X_eval[np.ix_(ind, var)]).flatten() * n / n0, + np.zeros_like(y_eval[T_eval == 1]), + ) + ) + + elif method == "re-weighting": + self._train_cla( + X_train, + T_train, + X_eval, + w_train=w_train, + classifier=classifier, + calibrator=calibrator, + X_calib=X_calib, + T_calib=T_calib, + w_calib=w_calib, + ) + + ratio = n1 / n0 + + self._get_alphas(X_eval, T_eval, ratio, calibrator=calibrator, crop=crop) + + ind = T_eval == self.C_simpl[-1][0] # Select sample C_{K+1} \in {0,1} + if self.C_simpl[-1][0] == 1: + theta_scores = np.concatenate( + ( + np.zeros_like(y_eval[T_eval == 0]), + self.alpha_dict[self.K_simpl - 1] * self.h_fn(y_eval[ind]) * n / n1, + ) + ) + else: + theta_scores = np.concatenate( + ( + self.alpha_dict[self.K_simpl - 1] * self.h_fn(y_eval[ind]) * n / n0, + np.zeros_like(y_eval[T_eval == 1]), + ) + ) + + elif method == "MR": + theta_scores_0 = np.zeros_like(y_eval[T_eval == 0]) + theta_scores_1 = np.zeros_like(y_eval[T_eval == 1]) + + # Regression base estimate: + self._train_reg( + X_train, + y_train, + T_train, + w_train=w_train, + regressor=regressor, + ) + + ind = T_eval == self.C_simpl[0][0] # Select sample C_1 \in {0,1} + var = self.C_simpl[0][1] # Select right variables + if self.C_simpl[0][0] == 1: + theta_scores_1 += self.reg_dict[0].predict(X_eval[np.ix_(ind, var)]).flatten() + else: + theta_scores_0 += self.reg_dict[0].predict(X_eval[np.ix_(ind, var)]).flatten() + + # Debiasing terms up to K-1: + self._train_cla( + X_train, + T_train, + X_eval, + w_train=w_train, + classifier=classifier, + calibrator=calibrator, + X_calib=X_calib, + T_calib=T_calib, + w_calib=w_calib, + ) + + ratio = n1 / n0 + + self._get_alphas(X_eval, T_eval, ratio, calibrator=calibrator, crop=crop) + + for k in range(self.K_simpl): + ind = T_eval == self.C_simpl[k + 1][0] # Select sample C_{k+1} \in {0,1} + var = [a for b in self.C_simpl[: (k + 1)] for a in b[1]] # Variables up to k + var_next = [a for b in self.C_simpl[: (k + 2)] for a in b[1]] # Variables up to k+1 + if self.C_simpl[k + 1][0] == 1: + if k < self.K_simpl - 1: + theta_scores_1 += self.alpha_dict[k] * ( + self.reg_dict[k + 1].predict(X_eval[np.ix_(ind, var_next)]).flatten() + - self.reg_dict[k].predict(X_eval[np.ix_(ind, var)]).flatten() + ) + else: + theta_scores_1 += self.alpha_dict[k] * ( + self.h_fn(y_eval[ind]) + - self.reg_dict[self.K_simpl - 1].predict(X_eval[np.ix_(ind, var)]).flatten() + ) + else: + if k < self.K_simpl - 1: + theta_scores_0 += self.alpha_dict[k] * ( + self.reg_dict[k + 1].predict(X_eval[np.ix_(ind, var_next)]).flatten() + - self.reg_dict[k].predict(X_eval[np.ix_(ind, var)]).flatten() + ) + else: + theta_scores_0 += self.alpha_dict[k] * ( + self.h_fn(y_eval[ind]) + - self.reg_dict[self.K_simpl - 1].predict(X_eval[np.ix_(ind, var)]).flatten() + ) + + theta_scores = np.concatenate((theta_scores_0 * n / n0, theta_scores_1 * n / n1)) + + else: + raise AttributeError(f'Method "{method}" Not Implemented') + + # When C = [1, 1, ..., 1] we can just take the sample mean of y_eval[T_eval == 1] + elif self.C_simpl[0][0] == 1: + theta_scores = np.concatenate((np.zeros_like(y_eval[T_eval == 0]), self.h_fn(y_eval[T_eval == 1]) * n / n1)) + + # When C = [0, 0, ..., 0] we can just take the sample mean of y_eval[T_eval == 0] + else: + theta_scores = np.concatenate((self.h_fn(y_eval[T_eval == 0]) * n / n0, np.zeros_like(y_eval[T_eval == 1]))) + + return theta_scores + + def est_theta( + self, + X_eval: np.ndarray, + y_eval: np.ndarray, + T_eval: np.ndarray, + X_train: np.ndarray, + y_train: np.ndarray, + T_train: np.ndarray, + w_eval: Optional[np.ndarray] = None, + w_train: Optional[np.ndarray] = None, + method: Literal["regression", "re-weighting", "MR"] = "MR", + regressor: PredictionModel = create_linear_regressor, + classifier: ClassificationModel = create_logistic_regression_classifier, + calibrator: Optional[PredictionModel] = None, + X_calib: Optional[np.ndarray] = None, + T_calib: Optional[np.ndarray] = None, + w_calib: Optional[np.ndarray] = None, + all_indep: bool = False, + crop: float = 1e-3, + ) -> Tuple[float, float]: + """ + This function computes the scores that are averaged to get each theta_hat, + and then returns (theta_hat, std_error) + + Inputs: + X_eval = (n_eval, K) np.ndarray with the X data (explanatory variables) for the evaluation set. + y_eval = (n_eval,) np.ndarray with the Y data (outcome) for the evaluation set. + T_eval = (n_eval,) np.ndarray with the T data (sample indicator) for the evaluation set. + X_train = (n_train, K) np.ndarray with the X data (explanatory variables) for the training set. + y_train = (n_train,) np.ndarray with the Y data (outcome) for the training set. + T_train = (n_train,) np.ndarray with the T data (sample indicator) for the training set. + w_eval = optional (n_eval,) np.ndarray with sample weights for the evaluation set. + w_train = optional (n_train,) np.ndarray with sample weights for the training set. + X_eval = (n_eval, K) np.ndarray with the X data (explanatory variables) for the evaluation set. + y_eval = (n_eval,) np.ndarray with the Y data (outcome) for the evaluation set. + T_eval = (n_eval,) np.ndarray with the T data (sample indicator) for the evaluation set. + X_train = (n_train, K) np.ndarray with the X data (explanatory variables) for the training set. + y_train = (n_train,) np.ndarray with the Y data (outcome) for the training set. + T_train = (n_train,) np.ndarray with the T data (sample indicator) for the training set. + w_eval = optional (n_eval,) np.ndarray with sample weights for the evaluation set. + w_train = optional (n_train,) np.ndarray with sample weights for the training set. + + method = One of 'regression', 're-weighting', 'MR'. By default, 'MR'. + + regressor = the regression estimator: a class supporting .fit and .predict methods. + + classifier = the classification estimator: a class supporting .fit and .predict_probabilities methods. + + calibrator = Optional, a method for probability calibration on a calibration set. + This could be a regressor (e.g. sklearn.isotonic.IsotonicRegression) or + a classifier (e.g. sklearn.LogisticRegression). + No need to do this if classifier is a sklearn.calibration.CalibratedClassifierCV learner. + + X_calib = (n_calib, K) np.ndarray with the X data (explanatory variables) for the calibration set. + T_calib = (n_calib,) np.ndarray with the T data (sample indicator) for the calibration set. + w_train = optional (n_calib,) np.ndarray with sample weights for the calibration set. + X_calib = (n_calib, K) np.ndarray with the X data (explanatory variables) for the calibration set. + T_calib = (n_calib,) np.ndarray with the T data (sample indicator) for the calibration set. + w_train = optional (n_calib,) np.ndarray with sample weights for the calibration set. + + all_indep = boolean, True if all explanatory variables are independent (used for self._simplify_C). + crop = float, all predicted probabilities from the classifier will be cropped below at this lower bound, + and above at 1-crop. + + Returns: + theta_hat = the point estimate, np.mean(theta_scores) for the scores computed by self.est_scores. + std_err = the standard error for theta_hat, sem(theta_scores) for the scores computed by self.est_scores. + """ + + theta_scores = self.est_scores( + X_eval, + y_eval, + T_eval, + X_train, + y_train, + T_train, + w_eval=w_eval, + w_train=w_train, + method=method, + regressor=regressor, + classifier=classifier, + calibrator=calibrator, + X_calib=X_calib, + T_calib=T_calib, + w_calib=w_calib, + all_indep=all_indep, + crop=crop, + ) + + if w_eval is not None: + w_sort = np.concatenate((w_eval[T_eval == 0], w_eval[T_eval == 1])) # Order weights in same way as scores + else: + w_sort = np.ones(np.shape(T_eval)) + weighted_stats = DescrStatsW(theta_scores, weights=w_sort, ddof=0) + + return weighted_stats.mean, weighted_stats.std_mean + + +def distribution_change_robust( + causal_model: ProbabilisticCausalModel, + old_data: pd.DataFrame, + new_data: pd.DataFrame, + target_node: Any, + target_functional: str = "mean", + sample_weight: Optional[Any] = None, + xfit: bool = True, + xfit_folds: int = 5, + train_size: float = 0.5, + calib_size: float = 0.2, + split_random_state: int = 0, + method: Literal["regression", "re-weighting", "MR"] = "MR", + regressor: PredictionModel = create_linear_regressor, + classifier: ClassificationModel = create_logistic_regression_classifier, + calibrator: Optional[PredictionModel] = None, + all_indep: bool = False, + crop: float = 1e-3, + shapley_config: Optional[ShapleyConfig] = None, +) -> Dict[Any, float]: + """ + This function computes the Shapley values for attribution of change in the mean or variance of target_node + to nodes upstream in the causal DAG, using the multiply-robust method from: + Quintas-Martinez, V., Bahadori, M. T., Santiago, E., Mu, J., Janzing, D., and Heckerman, D. + Multiply-Robust Causal Change Attribution (ICML 2024) + + :param causal_model: Reference causal model. + :param old_data: Joint samples from the 'old' distribution. + :param new_data: Joint samples from the 'new' distribution. + :param target_node: Target node of interest for attributing the marginal distribution change. + :param target_functional: Target functional of interest, of which the change is attributed. For now, supported + functionals are "mean" and "variance". + :param sample_weight: Sample weight variable, if using (optional). + :param target_functional: Target functional of interest, of which the change is attributed. For now, supported + functionals are "mean" and "variance". + :param sample_weight: Sample weight variable, if using (optional). + + :param xfit: Whether to use cross-fitting (True) or sample splitting (False) to estimate the nuisance parameters. + :param xfit_folds: Number of folds for cross-fitting if xfit = True. + :param train_size: Share of observations in training set for nuisance parameters if xfit = False. + :param calib_size: Share of observations in calibration set if calibrator is not None. + :param split_random_state: Seed for sample splitting. + + :param method: One of 'regression', 're-weighting', 'MR'. By default, 'MR'. + :param regressor: the regression estimator: a ClassificationModel supporting .fit and .predict methods. + :param classifier: the classification estimator: a PredictionModel supporting .fit and .predict_probabilities methods. + :param calibrator: Optional, a PredictionModel for probability calibration on a calibration set. + This could be a regressor (e.g. sklearn.isotonic.IsotonicRegression) or + a classifier (e.g. sklearn.LogisticRegression). + No need to do this if classifier is a sklearn.calibration.CalibratedClassifierCV learner. + + Note: Only the classes SklearnRegressionModelWeighted and SklearnClassificationModelWeighted + support sample weights for now. + + :param variance: boolean, if True, compute Shapley value attribution for the change in variance (rather than the change in mean). + :param all_indep: boolean, True if all explanatory variables are independent (used to simplify estimating equation). + :param crop: float, all predicted probabilities from the classifier will be cropped below at this lower bound, + and above at 1-crop. + + :param shapley_config: Configuration for the Shapley estimator. + + :return: A dictionary containing contribution of each upstream node. + """ + + causal_graph = causal_model.graph + + # Eliminate nodes that are not ancestry of the outcome: + causal_graph = nx.DiGraph(node_connected_subgraph_view(causal_model.graph, target_node)) + + # Sort by causal ancestry: + sorted_var_names = list(nx.lexicographical_topological_sort(causal_graph)) + X_var_names = sorted_var_names[:-1] + + n0, n1 = old_data.shape[0], new_data.shape[0] + + X0 = old_data[X_var_names].values + X1 = new_data[X_var_names].values + y0 = old_data[target_node].values.flatten() + y1 = new_data[target_node].values.flatten() + X = np.concatenate((X0, X1)) + y = np.concatenate((y0, y1)) + T = np.concatenate((np.zeros(n0), np.ones(n1))) + + if xfit: # Cross-fitting to learn nuisance parameters (recommended for small/medium samples) + kf = StratifiedKFold(n_splits=xfit_folds, shuffle=True, random_state=split_random_state) + splits = kf.split(X, T) + else: # Simple train-eval sample splitting (recommended for large samples) + kf = StratifiedKFold(n_splits=int(1.0 / (1.0 - train_size)), shuffle=True, random_state=split_random_state) + splits = [next(kf.split(X, T))] + xfit_folds = 1 + + attributions = np.zeros(len(sorted_var_names)) + + for train_index, test_index in splits: + X_train, X_eval, y_train, y_eval, T_train, T_eval = ( + X[train_index], + X[test_index], + y[train_index], + y[test_index], + T[train_index], + T[test_index], + ) + w = ( + np.concatenate((old_data[sample_weight].values.flatten(), new_data[sample_weight].values.flatten())) + if sample_weight is not None + else None + ) + w_train, w_eval = (w[train_index], w[test_index]) if sample_weight is not None else (None, None) + + X_calib, T_calib, w_calib = None, None, None + + if calibrator is not None: + if calib_size == 0.0: + raise ValueError( + "For calibration, calib_size should be either positive and smaller than the number of samples or a float in the (0, 1) range." + ) + + if sample_weight is None: + X_calib, X_train, _, y_train, T_calib, T_train = train_test_split( + X_train, y_train, T_train, train_size=calib_size, stratify=T_train, random_state=split_random_state + ) + else: + X_calib, X_train, _, y_train, T_calib, T_train, w_calib, w_train = train_test_split( + X_train, + y_train, + T_train, + w_train, + train_size=calib_size, + stratify=T_train, + random_state=split_random_state, + ) + + if target_functional == "mean": + + def set_func(C: np.ndarray) -> float: + return ThetaC(C).est_theta( + X_eval, + y_eval, + T_eval, + X_train, + y_train, + T_train, + w_eval=w_eval, + w_train=w_train, + method=method, + regressor=regressor, + classifier=classifier, + calibrator=calibrator, + X_calib=X_calib, + T_calib=T_calib, + w_calib=w_calib, + all_indep=all_indep, + crop=crop, + )[0] + + elif target_functional == "variance": + + def set_func(C: np.ndarray) -> float: + return ( + ThetaC(C, h_fn=lambda y: np.square(y)).est_theta( + X_eval, + y_eval, + T_eval, + X_train, + y_train, + T_train, + w_eval=w_eval, + w_train=w_train, + method=method, + regressor=regressor, + classifier=classifier, + calibrator=calibrator, + X_calib=X_calib, + T_calib=T_calib, + w_calib=w_calib, + all_indep=all_indep, + crop=crop, + )[0] + - ThetaC(C).est_theta( + X_eval, + y_eval, + T_eval, + X_train, + y_train, + T_train, + w_eval=w_eval, + w_train=w_train, + method=method, + regressor=regressor, + classifier=classifier, + calibrator=calibrator, + X_calib=X_calib, + T_calib=T_calib, + w_calib=w_calib, + all_indep=all_indep, + crop=crop, + )[0] + ** 2 + ) + + else: + raise AttributeError(f'Target functional "{target_functional}" not implemented. Try "mean" or "variance".') + + attributions += estimate_shapley_values(set_func, len(sorted_var_names), shapley_config) / xfit_folds + + return {x: attributions[i] for i, x in enumerate(sorted_var_names)} diff --git a/dowhy/gcm/ml/classification.py b/dowhy/gcm/ml/classification.py index d3b82413a8..105b022465 100644 --- a/dowhy/gcm/ml/classification.py +++ b/dowhy/gcm/ml/classification.py @@ -24,7 +24,7 @@ from sklearn.neighbors import KNeighborsClassifier from sklearn.svm import SVC -from dowhy.gcm.ml.regression import SklearnRegressionModel +from dowhy.gcm.ml.regression import SklearnRegressionModel, SklearnRegressionModelWeighted from dowhy.gcm.util.general import auto_apply_encoders, shape_into_2d @@ -51,6 +51,18 @@ def clone(self): return SklearnClassificationModel(sklearn_mdl=sklearn.clone(self._sklearn_mdl)) +class SklearnClassificationModelWeighted(SklearnRegressionModelWeighted, ClassificationModel): + def predict_probabilities(self, X: np.array) -> np.ndarray: + return shape_into_2d(self._sklearn_mdl.predict_proba(auto_apply_encoders(X, self._encoders))) + + @property + def classes(self) -> List[str]: + return self._sklearn_mdl.classes_ + + def clone(self): + return SklearnClassificationModel(sklearn_mdl=sklearn.clone(self._sklearn_mdl)) + + def create_random_forest_classifier(**kwargs) -> SklearnClassificationModel: return SklearnClassificationModel(RandomForestClassifier(**kwargs)) diff --git a/dowhy/gcm/ml/regression.py b/dowhy/gcm/ml/regression.py index e4ba51de06..fe294705d3 100644 --- a/dowhy/gcm/ml/regression.py +++ b/dowhy/gcm/ml/regression.py @@ -58,6 +58,14 @@ def __str__(self): return str(self._sklearn_mdl) +class SklearnRegressionModelWeighted(SklearnRegressionModel): + def fit(self, X: np.ndarray, Y: np.ndarray, sample_weight: np.ndarray = None) -> None: + self._encoders = auto_fit_encoders(X, Y) + X = auto_apply_encoders(X, self._encoders) + + self._sklearn_mdl.fit(X=X, y=Y.squeeze(), sample_weight=sample_weight) + + class LinearRegressionWithFixedParameter(PredictionModel): def __init__(self, coefficients: np.ndarray, intercept: float): self.coefficients = coefficients diff --git a/tests/gcm/test_distribution_change_robust.py b/tests/gcm/test_distribution_change_robust.py new file mode 100644 index 0000000000..bb821ff995 --- /dev/null +++ b/tests/gcm/test_distribution_change_robust.py @@ -0,0 +1,56 @@ +import networkx as nx +import numpy as np +import pandas as pd +from flaky import flaky +from pytest import approx + +from dowhy import gcm + + +def _gen_data(N=10000): + X1_old = np.random.normal(1, 1, N) + X2_old = 0.5 * X1_old + np.random.normal(0, 1, N) + Y_old = X1_old + X2_old + 0.25 * X1_old**2 + 0.25 * X2_old**2 + np.random.normal(0, 1, N) + X1_new = np.random.normal(1, 1.1, N) + X2_new = 0.2 * X1_new + np.random.normal(0, 1, N) + Y_new = X1_new + X2_new + 0.25 * X1_new**2 - 0.25 * X2_new**2 + np.random.normal(0, 1, N) + data_old = pd.DataFrame({"X1": X1_old, "X2": X2_old, "Y": Y_old}) + data_new = pd.DataFrame({"X1": X1_new, "X2": X2_new, "Y": Y_new}) + return data_old, data_new + + +@flaky(max_runs=5) +def test_given_two_data_sets_with_different_mechanisms_when_evaluate_distribution_change_then_returns_expected_result_mean(): + data_old, data_new = _gen_data() + causal_model = gcm.ProbabilisticCausalModel(nx.DiGraph([("X1", "X2"), ("X1", "Y"), ("X2", "Y")])) + shap = gcm.distribution_change_robust( + causal_model, + data_old, + data_new, + "Y", + regressor=gcm.ml.regression.create_knn_regressor, + xfit_folds=10, + ) + + assert shap["X1"] == approx(0.054, abs=0.1) + assert shap["X2"] == approx(-0.298, abs=0.1) + assert shap["Y"] == approx(-0.651, abs=0.1) + + +@flaky(max_runs=5) +def test_given_two_data_sets_with_different_mechanisms_when_evaluate_distribution_change_then_returns_expected_result_variance(): + data_old, data_new = _gen_data() + causal_model = gcm.ProbabilisticCausalModel(nx.DiGraph([("X1", "X2"), ("X1", "Y"), ("X2", "Y")])) + shap = gcm.distribution_change_robust( + causal_model, + data_old, + data_new, + "Y", + regressor=gcm.ml.regression.create_knn_regressor, + target_functional="variance", + xfit_folds=10, + ) + + assert shap["X1"] == approx(0.811, abs=0.2) + assert shap["X2"] == approx(-1.343, abs=0.2) + assert shap["Y"] == approx(-1.397, abs=0.2)