From 423b39b9d9f51bdde0b62209aec07132f290123c Mon Sep 17 00:00:00 2001 From: Adam Li Date: Mon, 11 Mar 2024 09:40:21 -0400 Subject: [PATCH] Almost there Signed-off-by: Adam Li --- doc/references.bib | 25 + dodiscover/score/score_function.py | 134 +- dodiscover/testdata/ges/README.txt | 2 + dodiscover/testdata/ges/data_discrete_10.txt | 10001 ++++++++++++++++ dodiscover/testdata/ges/data_linear_10.txt | 10001 ++++++++++++++++ ...st_ges_simulated_linear_gaussian_CPDAG.txt | 5 + ...est_ges_simulated_linear_gaussian_data.txt | 10000 +++++++++++++++ poetry.lock | 2749 +++-- pyproject.toml | 1 + test.txt.gpg | Bin 0 -> 630 bytes tests/unit_tests/score/test_ges.py | 3 + tests/unit_tests/score/test_scores.py | 156 + 12 files changed, 31815 insertions(+), 1262 deletions(-) create mode 100644 dodiscover/testdata/ges/README.txt create mode 100644 dodiscover/testdata/ges/data_discrete_10.txt create mode 100644 dodiscover/testdata/ges/data_linear_10.txt create mode 100644 dodiscover/testdata/ges/test_ges_simulated_linear_gaussian_CPDAG.txt create mode 100644 dodiscover/testdata/ges/test_ges_simulated_linear_gaussian_data.txt create mode 100644 test.txt.gpg create mode 100644 tests/unit_tests/score/test_scores.py diff --git a/doc/references.bib b/doc/references.bib index ae386472..c08fb39f 100644 --- a/doc/references.bib +++ b/doc/references.bib @@ -75,6 +75,13 @@ @article{hauser2012characterization publisher = {JMLR. org} } +@article{heckerman2013learning, + title={Learning bayesian networks: The combination of knowledge and statistical data}, + author={Heckerman, David and Geiger, Dan and Chickering, David Maxwell}, + journal={arXiv preprint arXiv:1302.6815}, + year={2013} +} + @article{Jaber2020causal, title = {Causal discovery from soft interventions with unknown targets: Characterization and learning}, author = {Jaber, Amin and Kocaoglu, Murat and Shanmugam, Karthikeyan and Bareinboim, Elias}, @@ -317,6 +324,15 @@ @article{Sen2017model year = {2017} } +@inproceedings{scutari2016empirical, + title = {An empirical-Bayes score for discrete Bayesian networks}, + author = {Scutari, Marco}, + booktitle = {Conference on probabilistic graphical models}, + pages = {438--448}, + year = {2016}, + organization = {PMLR} +} + @inproceedings{Yu2020Bregman, title = {Measuring the Discrepancy between Conditional Distributions: Methods, Properties and Applications}, @@ -349,6 +365,15 @@ @inproceedings{Zhang2011 % Example refs +@book{koller2009probabilistic, + author = {Koller, Daphne and Friedman, Nir}, + title = {Probabilistic Graphical Models: Principles and Techniques - Adaptive Computation and Machine Learning}, + year = {2009}, + isbn = {0262013193}, + publisher = {The MIT Press}, + abstract = {Most tasks require a person or an automated system to reasonto reach conclusions based on available information. The framework of probabilistic graphical models, presented in this book, provides a general approach for this task. The approach is model-based, allowing interpretable models to be constructed and then manipulated by reasoning algorithms. These models can also be learned automatically from data, allowing the approach to be used in cases where manually constructing a model is difficult or even impossible. Because uncertainty is an inescapable aspect of most real-world applications, the book focuses on probabilistic models, which make the uncertainty explicit and provide models that are more faithful to reality. Probabilistic Graphical Models discusses a variety of models, spanning Bayesian networks, undirected Markov networks, discrete and continuous models, and extensions to deal with dynamical systems and relational data. For each class of models, the text describes the three fundamental cornerstones: representation, inference, and learning, presenting both basic concepts and advanced techniques. Finally, the book considers the use of the proposed framework for causal reasoning and decision making under uncertainty. The main text in each chapter provides the detailed technical development of the key ideas. Most chapters also include boxes with additional material: skill boxes, which describe techniques; case study boxes, which discuss empirical cases related to the approach described in the text, including applications in computer vision, robotics, natural language understanding, and computational biology; and concept boxes, which present significant concepts drawn from the material in the chapter. Instructors (and readers) can group chapters in various combinations, from core topics to more technically advanced material, to suit their particular needs. Adaptive Computation and Machine Learning series} +} + @article{sachsdataset2005, author = {Karen Sachs and Omar Perez and Dana Pe'er and Douglas A. Lauffenburger and Garry P. Nolan }, title = {Causal Protein-Signaling Networks Derived from Multiparameter Single-Cell Data}, diff --git a/dodiscover/score/score_function.py b/dodiscover/score/score_function.py index b02a0926..0ac503e6 100644 --- a/dodiscover/score/score_function.py +++ b/dodiscover/score/score_function.py @@ -1,13 +1,18 @@ -from typing import Callable, Dict +# Adapted from: https://github.com/juangamella/ges/ +# BSD 3-Clause License + +from typing import Callable, Union, Dict import numpy as np import pandas as pd class ScoreFunction: - def __init__(self, score: Callable) -> None: + def __init__(self, score: Union[Callable, str]='bic') -> None: self._cache: Dict = dict() - self.score_func = score + + if score == 'bic': + self.score_func = bic_score def local_score(self, data: pd.DataFrame, source, source_parents) -> float: """Compute the local score of an edge. @@ -76,3 +81,126 @@ def full_score(self, A): l0_term = self.lmbda * (np.sum(A != 0) + 1 * self.p) score = -0.5 * likelihood - l0_term return score + + +def _mle(data, source, source_parents): + """Compute the maximum likelihood estimates of the parameters of a linear Gaussian model. + + Parameters + ---------- + data : pd.DataFrame + The dataset. + source : Node + The origin node. + source_parents : list of Node + The parents of the source. + + Returns + ------- + beta : np.array + The MLE of the coefficients. + sigma : float + The MLE of the noise term variance. + """ + _, n_features = data.shape + beta = np.zeros(n_features) + + # compute the MLE of the coefficients + # using leaset squares regression + Y = data[source].to_numpy() + + if len(source_parents) > 0: + X = data[source_parents].to_numpy() + parents_coef = np.linalg.lstsq(X, Y, rcond=None)[0] + parents_idx = [data.columns.get_loc(p) for p in source_parents] + beta[parents_idx] = parents_coef + + # compute the estimate of the noise-term variance + sigma = np.var(Y - X @ parents_coef) + + # XXX: it is possible to compute things using the empirical covariance matrix + # beta = (\Sigma_{source, Pa(source)} @ \Sigma_{Pa(source), Pa(source)})^{-1} + + if sigma < 0: + sigma = 1e-5 + + return beta, sigma + + +def bic_score(data, source, source_parents): + """Compute the Bayesian Information Criterion (BIC) score of an edge. + + Implements the BIC score described in :footcite:`koller2009probabilistic`. + + Parameters + ---------- + data : pd.DataFrame + Dataset. + source : Node + Variable to score. + source_parents : list of Node + The parents of the source. + """ + n_samples = len(data) + + # compute MLE + _, sigma = _mle(data, source, source_parents) + + # compute log-likelihood + likelihood = -0.5 * n_samples * (1 + np.log(sigma)) + + # penalty term + l0_term = 0.5 * np.log(n_samples) * (len(source_parents) + 1) + return likelihood - l0_term + + +def bdeu_score(data, source, source_parents): + """Compute the Bayesian Dirichlet equivalent uniform (BDeu) score of an edge. + + Implements the BDeu score described in :footcite:`koller2009probabilistic` + and :footcite:`heckerman2013learning`. + + Parameters + ---------- + data : _type_ + _description_ + source : _type_ + _description_ + source_parents : _type_ + _description_ + """ + pass + + +def bds_score(data, source, source_parents): + """Compute the Bayesian Dirichlet sparse (BDs) score of an edge. + + Implements the score described in :footcite:`koller2009probabilistic`. + + Parameters + ---------- + data : _type_ + _description_ + source : _type_ + _description_ + source_parents : _type_ + _description_ + """ + pass + + +def k2_score(data, source, source_parents): + """Compute the K2 score of an edge. + + Implements the score described in :footcite:`scutari2016empirical`. + + Parameters + ---------- + data : _type_ + _description_ + source : _type_ + _description_ + source_parents : _type_ + _description_ + """ + pass diff --git a/dodiscover/testdata/ges/README.txt b/dodiscover/testdata/ges/README.txt new file mode 100644 index 00000000..9b7b51ec --- /dev/null +++ b/dodiscover/testdata/ges/README.txt @@ -0,0 +1,2 @@ +The datasets were obtained from causal-learn (https://github.com/py-why/causal-learn/tree/main/tests/TestData) on December 1st, 2023. +These are used to compare and test the results of native-implementation of GES in dodiscover. \ No newline at end of file diff --git a/dodiscover/testdata/ges/data_discrete_10.txt b/dodiscover/testdata/ges/data_discrete_10.txt new file mode 100644 index 00000000..64337ac4 --- /dev/null +++ b/dodiscover/testdata/ges/data_discrete_10.txt @@ -0,0 +1,10001 @@ +X1 X2 X3 X4 X5 X6 X7 X8 X9 X10 X11 X12 X13 X14 X15 X16 X17 X18 X19 X20 +1 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 1 0 1 +1 0 0 0 0 0 1 1 1 1 1 1 1 1 1 0 1 1 0 0 +1 0 0 0 0 0 1 1 1 1 1 1 1 1 1 0 0 0 0 0 +1 0 0 1 0 1 1 1 0 0 0 1 1 1 0 1 1 1 1 0 +1 0 0 0 0 1 0 1 0 1 1 0 0 0 0 0 0 1 1 1 +1 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 0 +0 0 1 0 0 1 0 0 1 1 0 0 0 0 1 1 0 1 1 1 +1 0 0 0 0 0 0 1 1 0 0 0 1 1 0 0 0 1 0 1 +0 0 1 0 1 1 1 1 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(>=2.2)", "pytest-ignore-flaky", "pytest-mypy (>=0.9.1)", "pytest-ruff"] [extras] @@ -3996,4 +4227,4 @@ viz = ["pygraphviz"] [metadata] lock-version = "2.0" python-versions = ">=3.9,<3.12" -content-hash = "01f55f382d992d1d0552c5e7a836162afdaca6524c63f52da30744ad0df33cb0" +content-hash = "d31909f6e87fc54bfc13a6212e2bc10af1052ecf2a91dfe8f213e99881e67e6c" diff --git a/pyproject.toml b/pyproject.toml index 5e0e110d..bfbaf24b 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -79,6 +79,7 @@ joblib = { version = "^1.1.0" } # needed in dowhy's package tqdm = { version = "^4.64.0" } # needed in dowhy's package pre-commit = "^3.0.4" pooch = "^1.7.0" +sempler = "^0.2.13" [tool.poetry.group.docs] optional = true diff --git a/test.txt.gpg b/test.txt.gpg new file mode 100644 index 0000000000000000000000000000000000000000..e38d0c6f9908bb9e0648e29ef59833148668ebcf GIT binary patch literal 630 zcmV-+0*U>j0Re9Uko}Mi0{{pCErse%7AyC#0jv~a2y|t0bS`vwbY<@c;Yej{Y;OvQ 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class TestGESvsPC: def test_ges_vs_pc_ex1(self): pass + + def test_ges_on_example_data_1(self): + pass diff --git a/tests/unit_tests/score/test_scores.py b/tests/unit_tests/score/test_scores.py new file mode 100644 index 00000000..5de38bf1 --- /dev/null +++ b/tests/unit_tests/score/test_scores.py @@ -0,0 +1,156 @@ +import bnlearn as bn +import numpy as np +import pandas as pd +from pgmpy.models import BayesianNetwork +import sempler + +from dodiscover.score.score_function import ScoreFunction + +def titanic_data(): + df = pd.DataFrame(data={"A": [0, 0, 1], "B": [0, 1, 0], "C": [1, 1, 0], "D": ["X", "Y", "Z"]}) + m1 = BayesianNetwork([("A", "C"), ("B", "C"), ("D", "B")]) + m2 = BayesianNetwork([("C", "A"), ("C", "B"), ("A", "D")]) + + # data_link - "https://www.kaggle.com/c/titanic/download/train.csv" + titanic_data = bn.import_example(data="titanic") + titanic_data = titanic_data[["Survived", "Sex", "Pclass"]] + + +class TestBDeuScore: + def test_score(self): + ScoreFunction() + self.assertAlmostEqual(BDeuScore(self.d1).score(self.m1), -9.907103407446435) + self.assertEqual(BDeuScore(self.d1).score(BayesianNetwork()), 0) + + def test_score_titanic(self): + scorer = BDeuScore(self.titanic_data2, equivalent_sample_size=25) + titanic = BayesianNetwork([("Sex", "Survived"), ("Pclass", "Survived")]) + self.assertAlmostEqual(scorer.score(titanic), -1892.7383393910427) + titanic2 = BayesianNetwork([("Pclass", "Sex")]) + titanic2.add_nodes_from(["Sex", "Survived", "Pclass"]) + self.assertLess(scorer.score(titanic2), scorer.score(titanic)) + + +class TestBDsScore(unittest.TestCase): + def setUp(self): + """Example taken from https://arxiv.org/pdf/1708.00689.pdf""" + self.d1 = pd.DataFrame( + data={ + "X": [0, 0, 0, 1, 1, 1, 1, 1, 1, 0, 0, 0], + "Y": [0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1], + "Z": [0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1], + "W": [0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 1, 1], + } + ) + self.m1 = BayesianNetwork([("W", "X"), ("Z", "X")]) + self.m1.add_node("Y") + self.m2 = BayesianNetwork([("W", "X"), ("Z", "X"), ("Y", "X")]) + + def test_score(self): + self.assertAlmostEqual( + BDsScore(self.d1, equivalent_sample_size=1).score(self.m1), + -36.82311976667139, + ) + self.assertEqual( + BDsScore(self.d1, equivalent_sample_size=1).score(self.m2), + -45.788991276221964, + ) + + def tearDown(self): + del self.d1 + del self.m1 + del self.m2 + + +class TestBicScore(unittest.TestCase): + def setUp(self): + self.d1 = pd.DataFrame( + data={"A": [0, 0, 1], "B": [0, 1, 0], "C": [1, 1, 0], "D": ["X", "Y", "Z"]} + ) + self.m1 = BayesianNetwork([("A", "C"), ("B", "C"), ("D", "B")]) + self.m2 = BayesianNetwork([("C", "A"), ("C", "B"), ("A", "D")]) + + # data_link - "https://www.kaggle.com/c/titanic/download/train.csv" + self.titanic_data = pd.read_csv("pgmpy/tests/test_estimators/testdata/titanic_train.csv") + self.titanic_data2 = self.titanic_data[["Survived", "Sex", "Pclass"]] + + def test_score(self): + self.assertAlmostEqual(BicScore(self.d1).score(self.m1), -10.698440814229318) + self.assertEqual(BicScore(self.d1).score(BayesianNetwork()), 0) + + def test_score_titanic(self): + scorer = BicScore(self.titanic_data2) + titanic = BayesianNetwork([("Sex", "Survived"), ("Pclass", "Survived")]) + self.assertAlmostEqual(scorer.score(titanic), -1896.7250012840179) + titanic2 = BayesianNetwork([("Pclass", "Sex")]) + titanic2.add_nodes_from(["Sex", "Survived", "Pclass"]) + self.assertLess(scorer.score(titanic2), scorer.score(titanic)) + + def tearDown(self): + del self.d1 + del self.m1 + del self.m2 + del self.titanic_data + del self.titanic_data2 + + +class TestK2Score(unittest.TestCase): + def setUp(self): + self.d1 = pd.DataFrame( + data={"A": [0, 0, 1], "B": [0, 1, 0], "C": [1, 1, 0], "D": ["X", "Y", "Z"]} + ) + self.m1 = BayesianNetwork([("A", "C"), ("B", "C"), ("D", "B")]) + self.m2 = BayesianNetwork([("C", "A"), ("C", "B"), ("A", "D")]) + + # data_link - "https://www.kaggle.com/c/titanic/download/train.csv" + self.titanic_data = pd.read_csv("pgmpy/tests/test_estimators/testdata/titanic_train.csv") + self.titanic_data2 = self.titanic_data[["Survived", "Sex", "Pclass"]] + + def test_score(self): + self.assertAlmostEqual(K2Score(self.d1).score(self.m1), -10.73813429536977) + self.assertEqual(K2Score(self.d1).score(BayesianNetwork()), 0) + + def test_score_titanic(self): + scorer = K2Score(self.titanic_data2) + titanic = BayesianNetwork([("Sex", "Survived"), ("Pclass", "Survived")]) + self.assertAlmostEqual(scorer.score(titanic), -1891.0630673606006) + titanic2 = BayesianNetwork([("Pclass", "Sex")]) + titanic2.add_nodes_from(["Sex", "Survived", "Pclass"]) + self.assertLess(scorer.score(titanic2), scorer.score(titanic)) + + def tearDown(self): + del self.d1 + del self.m1 + del self.m2 + del self.titanic_data + del self.titanic_data2 + + +seed = 1234 +rng = np.random.default_rng(seed) + +def sample_data(n, p, scm): + + true_A = np.array([[0, 0, 1, 0, 0], + [0, 0, 1, 0, 0], + [0, 0, 0, 1, 1], + [0, 0, 0, 0, 1], + [0, 0, 0, 0, 0]]) + factorization = [(4, (2, 3)), (3, (2,)), (2, (0, 1)), (0, ()), (1, ())] + true_B = true_A * rng.uniform(1, 2, size=true_A.shape) + scm = sempler.LGANM(true_B, (0, 0), (0.3, 0.4)) + n_features = len(true_A) + n_samples = 10_000 + obs_data = scm.sample(n=n_samples) + return true_A, obs_data + + +def test_bic_score_with_true_graph_is_better_than_empty(): + scorer = ScoreFunction(score='bic') + true_score =scorer.full_score(true_A) + + empty_score = scorer.full_score(np.zeros_like(true_A)) + assert true_score > empty_score + +def test_bic_score_preserves_decomposability(): + pass \ No newline at end of file