From 250393cf4f2b9bfa2a71a140d8b53e9f5632fe4e Mon Sep 17 00:00:00 2001 From: LoryPack Date: Fri, 6 Nov 2020 10:07:25 +0100 Subject: [PATCH 01/21] Try adding support for Python 3.4 and 3.5 --- .travis.yml | 14 +++++++++++++- MANIFEST.in | 3 ++- requirements/requirements_python_34_35.txt | 12 ++++++++++++ setup.py | 9 ++++++++- 4 files changed, 35 insertions(+), 3 deletions(-) create mode 100644 requirements/requirements_python_34_35.txt diff --git a/.travis.yml b/.travis.yml index 1a433fed..27a3073d 100644 --- a/.travis.yml +++ b/.travis.yml @@ -19,6 +19,18 @@ addons: jobs: include: # Unit tests on different python versions, all on Ubuntu + - stage: test + name: "Python 3.4" + python: "3.4" + env: + - UNIT_TEST=true + - OLD_PYTHON=true + - stage: test + name: "Python 3.5" + python: "3.5" + env: + - UNIT_TEST=true + - OLD_PYTHON=true - stage: test name: "Python 3.6" python: "3.6" @@ -62,7 +74,7 @@ jobs: install: - sudo apt-get install -y r-base # install R for testing example - pip install rpy2 # install the rpy2 library for testing example with R -- pip install -r requirements.txt +- if [[ $OLD_PYTHON == true ]]; then pip install -r requirements/requirements_python_34_35.txt; else pip install -r requirements.txt; fi; - pip install -r requirements/backend-spark.txt - if [[ ! $NO_PYTORCH == true ]]; then pip install -r requirements/neural_networks_requirements.txt; fi; - if [[ $COVERAGE == true ]]; then pip install -r requirements/coverage.txt; fi; diff --git a/MANIFEST.in b/MANIFEST.in index 540b7204..c27ce385 100644 --- a/MANIFEST.in +++ b/MANIFEST.in @@ -1 +1,2 @@ -include requirements.txt \ No newline at end of file +include requirements.txt +include requirements/* \ No newline at end of file diff --git a/requirements/requirements_python_34_35.txt b/requirements/requirements_python_34_35.txt new file mode 100644 index 00000000..5284ee7c --- /dev/null +++ b/requirements/requirements_python_34_35.txt @@ -0,0 +1,12 @@ +numpy +scipy +scikit-learn==0.22.0 +glmnet==2.0.0 +sphinx +sphinx_rtd_theme +coverage +mpi4py +cloudpickle +matplotlib +tqdm +pot \ No newline at end of file diff --git a/setup.py b/setup.py index 18f9a09f..1692d780 100644 --- a/setup.py +++ b/setup.py @@ -18,7 +18,12 @@ here = path.abspath(path.dirname(__file__)) -install_reqs_raw = parse_requirements('requirements.txt', session=PipSession()) +if sys.version_info[1] > 5: # python from 3.6 on + install_reqs_raw = parse_requirements('requirements.txt', session=PipSession()) +elif sys.version_info[1] == 4 or sys.version_info[1] == 5: + install_reqs_raw = parse_requirements('requirements/requirements_python_34_35.txt', session=PipSession()) +else: + raise RuntimeError("Python version not supported") try: install_reqs = [str(ir.req) for ir in install_reqs_raw] @@ -60,6 +65,8 @@ 'Development Status :: 4 - Beta', 'Programming Language :: Python :: 3', + 'Programming Language :: Python :: 3.4', + 'Programming Language :: Python :: 3.5', 'Programming Language :: Python :: 3.6', 'Programming Language :: Python :: 3.7', 'Programming Language :: Python :: 3.8', From a9616157ec95c8a53d0feab9724843d1876a4a7f Mon Sep 17 00:00:00 2001 From: LoryPack Date: Fri, 6 Nov 2020 10:18:12 +0100 Subject: [PATCH 02/21] Remove 3.4 Python as it is not present on Travis (end of life was more than 1 year ago) --- .travis.yml | 8 +------- ...ements_python_34_35.txt => requirements_python_35.txt} | 0 setup.py | 4 ++-- 3 files changed, 3 insertions(+), 9 deletions(-) rename requirements/{requirements_python_34_35.txt => requirements_python_35.txt} (100%) diff --git a/.travis.yml b/.travis.yml index 27a3073d..ff59e93c 100644 --- a/.travis.yml +++ b/.travis.yml @@ -19,12 +19,6 @@ addons: jobs: include: # Unit tests on different python versions, all on Ubuntu - - stage: test - name: "Python 3.4" - python: "3.4" - env: - - UNIT_TEST=true - - OLD_PYTHON=true - stage: test name: "Python 3.5" python: "3.5" @@ -74,7 +68,7 @@ jobs: install: - sudo apt-get install -y r-base # install R for testing example - pip install rpy2 # install the rpy2 library for testing example with R -- if [[ $OLD_PYTHON == true ]]; then pip install -r requirements/requirements_python_34_35.txt; else pip install -r requirements.txt; fi; +- if [[ $OLD_PYTHON == true ]]; then pip install -r requirements/requirements_python_35.txt; else pip install -r requirements.txt; fi; - pip install -r requirements/backend-spark.txt - if [[ ! $NO_PYTORCH == true ]]; then pip install -r requirements/neural_networks_requirements.txt; fi; - if [[ $COVERAGE == true ]]; then pip install -r requirements/coverage.txt; fi; diff --git a/requirements/requirements_python_34_35.txt b/requirements/requirements_python_35.txt similarity index 100% rename from requirements/requirements_python_34_35.txt rename to requirements/requirements_python_35.txt diff --git a/setup.py b/setup.py index 1692d780..1b233bcf 100644 --- a/setup.py +++ b/setup.py @@ -20,8 +20,8 @@ if sys.version_info[1] > 5: # python from 3.6 on install_reqs_raw = parse_requirements('requirements.txt', session=PipSession()) -elif sys.version_info[1] == 4 or sys.version_info[1] == 5: - install_reqs_raw = parse_requirements('requirements/requirements_python_34_35.txt', session=PipSession()) +elif sys.version_info[1] == 5: + install_reqs_raw = parse_requirements('requirements/requirements_python_35.txt', session=PipSession()) else: raise RuntimeError("Python version not supported") From cd0d8e6c9d54e9b6ddc3627f495c528a243f4da3 Mon Sep 17 00:00:00 2001 From: LoryPack Date: Fri, 6 Nov 2020 10:23:07 +0100 Subject: [PATCH 03/21] Revert "Remove 3.4 Python as it is not present on Travis (end of life was more than 1 year ago)" This reverts commit a9616157 --- .travis.yml | 8 +++++++- ...ements_python_35.txt => requirements_python_34_35.txt} | 0 setup.py | 4 ++-- 3 files changed, 9 insertions(+), 3 deletions(-) rename requirements/{requirements_python_35.txt => requirements_python_34_35.txt} (100%) diff --git a/.travis.yml b/.travis.yml index ff59e93c..27a3073d 100644 --- a/.travis.yml +++ b/.travis.yml @@ -19,6 +19,12 @@ addons: jobs: include: # Unit tests on different python versions, all on Ubuntu + - stage: test + name: "Python 3.4" + python: "3.4" + env: + - UNIT_TEST=true + - OLD_PYTHON=true - stage: test name: "Python 3.5" python: "3.5" @@ -68,7 +74,7 @@ jobs: install: - sudo apt-get install -y r-base # install R for testing example - pip install rpy2 # install the rpy2 library for testing example with R -- if [[ $OLD_PYTHON == true ]]; then pip install -r requirements/requirements_python_35.txt; else pip install -r requirements.txt; fi; +- if [[ $OLD_PYTHON == true ]]; then pip install -r requirements/requirements_python_34_35.txt; else pip install -r requirements.txt; fi; - pip install -r requirements/backend-spark.txt - if [[ ! $NO_PYTORCH == true ]]; then pip install -r requirements/neural_networks_requirements.txt; fi; - if [[ $COVERAGE == true ]]; then pip install -r requirements/coverage.txt; fi; diff --git a/requirements/requirements_python_35.txt b/requirements/requirements_python_34_35.txt similarity index 100% rename from requirements/requirements_python_35.txt rename to requirements/requirements_python_34_35.txt diff --git a/setup.py b/setup.py index 1b233bcf..1692d780 100644 --- a/setup.py +++ b/setup.py @@ -20,8 +20,8 @@ if sys.version_info[1] > 5: # python from 3.6 on install_reqs_raw = parse_requirements('requirements.txt', session=PipSession()) -elif sys.version_info[1] == 5: - install_reqs_raw = parse_requirements('requirements/requirements_python_35.txt', session=PipSession()) +elif sys.version_info[1] == 4 or sys.version_info[1] == 5: + install_reqs_raw = parse_requirements('requirements/requirements_python_34_35.txt', session=PipSession()) else: raise RuntimeError("Python version not supported") From fb2b547fe3fff107c38fb109538f91f1e8d4d616 Mon Sep 17 00:00:00 2001 From: LoryPack Date: Fri, 6 Nov 2020 10:23:14 +0100 Subject: [PATCH 04/21] Revert "Try adding support for Python 3.4 and 3.5" This reverts commit 250393cf --- .travis.yml | 14 +------------- requirements/requirements_python_34_35.txt | 12 ------------ setup.py | 9 +-------- 3 files changed, 2 insertions(+), 33 deletions(-) delete mode 100644 requirements/requirements_python_34_35.txt diff --git a/.travis.yml b/.travis.yml index 27a3073d..1a433fed 100644 --- a/.travis.yml +++ b/.travis.yml @@ -19,18 +19,6 @@ addons: jobs: include: # Unit tests on different python versions, all on Ubuntu - - stage: test - name: "Python 3.4" - python: "3.4" - env: - - UNIT_TEST=true - - OLD_PYTHON=true - - stage: test - name: "Python 3.5" - python: "3.5" - env: - - UNIT_TEST=true - - OLD_PYTHON=true - stage: test name: "Python 3.6" python: "3.6" @@ -74,7 +62,7 @@ jobs: install: - sudo apt-get install -y r-base # install R for testing example - pip install rpy2 # install the rpy2 library for testing example with R -- if [[ $OLD_PYTHON == true ]]; then pip install -r requirements/requirements_python_34_35.txt; else pip install -r requirements.txt; fi; +- pip install -r requirements.txt - pip install -r requirements/backend-spark.txt - if [[ ! $NO_PYTORCH == true ]]; then pip install -r requirements/neural_networks_requirements.txt; fi; - if [[ $COVERAGE == true ]]; then pip install -r requirements/coverage.txt; fi; diff --git a/requirements/requirements_python_34_35.txt b/requirements/requirements_python_34_35.txt deleted file mode 100644 index 5284ee7c..00000000 --- a/requirements/requirements_python_34_35.txt +++ /dev/null @@ -1,12 +0,0 @@ -numpy -scipy -scikit-learn==0.22.0 -glmnet==2.0.0 -sphinx -sphinx_rtd_theme -coverage -mpi4py -cloudpickle -matplotlib -tqdm -pot \ No newline at end of file diff --git a/setup.py b/setup.py index 1692d780..18f9a09f 100644 --- a/setup.py +++ b/setup.py @@ -18,12 +18,7 @@ here = path.abspath(path.dirname(__file__)) -if sys.version_info[1] > 5: # python from 3.6 on - install_reqs_raw = parse_requirements('requirements.txt', session=PipSession()) -elif sys.version_info[1] == 4 or sys.version_info[1] == 5: - install_reqs_raw = parse_requirements('requirements/requirements_python_34_35.txt', session=PipSession()) -else: - raise RuntimeError("Python version not supported") +install_reqs_raw = parse_requirements('requirements.txt', session=PipSession()) try: install_reqs = [str(ir.req) for ir in install_reqs_raw] @@ -65,8 +60,6 @@ 'Development Status :: 4 - Beta', 'Programming Language :: Python :: 3', - 'Programming Language :: Python :: 3.4', - 'Programming Language :: Python :: 3.5', 'Programming Language :: Python :: 3.6', 'Programming Language :: Python :: 3.7', 'Programming Language :: Python :: 3.8', From 6bc2fa04e189bf4c2808943ad86dcf783918ed7c Mon Sep 17 00:00:00 2001 From: LoryPack Date: Fri, 6 Nov 2020 11:36:02 +0100 Subject: [PATCH 05/21] Rename notebooks --- examples/{getting_started.ipynb => 1_getting_started.ipynb} | 0 ...on_ABC_closer_look.ipynb => 2_Rejection_ABC_closer_look.ipynb} | 0 2 files changed, 0 insertions(+), 0 deletions(-) rename examples/{getting_started.ipynb => 1_getting_started.ipynb} (100%) rename examples/{Rejection_ABC_closer_look.ipynb => 2_Rejection_ABC_closer_look.ipynb} (100%) diff --git a/examples/getting_started.ipynb b/examples/1_getting_started.ipynb similarity index 100% rename from examples/getting_started.ipynb rename to examples/1_getting_started.ipynb diff --git a/examples/Rejection_ABC_closer_look.ipynb b/examples/2_Rejection_ABC_closer_look.ipynb similarity index 100% rename from examples/Rejection_ABC_closer_look.ipynb rename to examples/2_Rejection_ABC_closer_look.ipynb From c94c05346867385a9a839abb93ffad2ca4a67c4a Mon Sep 17 00:00:00 2001 From: LoryPack Date: Fri, 6 Nov 2020 13:03:29 +0100 Subject: [PATCH 06/21] Implement Wasserstein Distance; some updates to the Distance structure overall. --- abcpy/distances.py | 293 +++++++++++++++++++----------- doc/source/class-diagram.png | Bin 242439 -> 551215 bytes doc/source/user_customization.rst | 17 +- tests/distances_tests.py | 29 ++- 4 files changed, 221 insertions(+), 118 deletions(-) diff --git a/abcpy/distances.py b/abcpy/distances.py index 96b3bc78..92cc1418 100644 --- a/abcpy/distances.py +++ b/abcpy/distances.py @@ -4,30 +4,42 @@ from glmnet import LogitNet from sklearn import linear_model +from abcpy.utils import wass_dist + class Distance(metaclass=ABCMeta): """This abstract base class defines how the distance between the observed and simulated data should be implemented. """ - @abstractmethod def __init__(self, statistics_calc): """The constructor of a sub-class must accept a non-optional statistics - calculator as a parameter. If stored to self.statistics_calc, the - private helper method _calculate_summary_stat can be used. + calculator as a parameter; then, it must call the __init__ method of the parent class. This ensures that the + object is initialized correctly so that the _calculate_summary_stat private method can be called when computing + the distances. Parameters ---------- - statistics_calc : abcpy.stasistics.Statistics + statistics_calc : abcpy.statistics.Statistics Statistics extractor object that conforms to the Statistics class. """ - raise NotImplementedError + self.statistics_calc = statistics_calc + + # Since the observations do always stay the same, we can save the + # summary statistics of them and not recalculate it each time + self.s1 = None + self.data_set = None + self.dataSame = False @abstractmethod - def distance(d1, d2): + def distance(self, d1, d2): """To be overwritten by any sub-class: should calculate the distance between two sets of data d1 and d2 using their respective statistics. + + Usually, calling the _calculate_summary_stat private method to obtain statistics from the datasets is handy; + that also keeps track of the first provided dataset (which is the observation in ABCpy inference schemes) and + avoids computing the statistics for that multiple times. Notes ----- @@ -38,8 +50,9 @@ def distance(d1, d2): 1. Transform both input sets dX = [ dX1, dX2, ..., dXn ] to sX = [sX1, sX2, ..., sXn] using the statistics object. See _calculate_summary_stat method. - 2. Calculate the mutual desired distance, here denoted by -, between the - statistics dist = [s11 - s21, s12 - s22, ..., s1n - s2n]. + 2. Calculate the mutual desired distance, here denoted by - between the + statistics; for instance, dist = [s11 - s21, s12 - s22, ..., s1n - s2n] (in some cases however you + may want to compute all pairwise distances between statistics elements. Important: any sub-class must not calculate the distance between data sets d1 and d2 directly. This is the reason why any sub-class must be @@ -54,7 +67,7 @@ def distance(d1, d2): Returns ------- - numpy.ndarray + numpy.float The distance between the two input data sets. """ @@ -79,51 +92,22 @@ def dist_max(self): def _calculate_summary_stat(self, d1, d2): """Helper function that extracts the summary statistics s1 and s2 from d1 and - d2 using the statistics object stored in self.statistics_calc. + d2 using the statistics object stored in self.statistics_calc. This stores s1 for the purpose of checking + whether that is repeated in next calls to the function, and avoiding computing the statitistics for the same + dataset several times. Parameters ---------- d1 : array-like d1 contains n data sets. d2 : array-like - d2 contains n data sets. + d2 contains m data sets. Returns ------- - numpy.ndarray - The summary statistics extracted from d1 and d2. - - """ - s1 = self.statistics_calc.statistics(d1) - s2 = self.statistics_calc.statistics(d2) - return (s1, s2) - - -class Euclidean(Distance): - """ - This class implements the Euclidean distance between two vectors. - - The maximum value of the distance is np.inf. - """ - - def __init__(self, statistics): - self.statistics_calc = statistics - - # Since the observations do always stay the same, we can save the - # summary statistics of them and not recalculate it each time - self.s1 = None - self.data_set = None - self.dataSame = False - - def distance(self, d1, d2): - """Calculates the distance between two datasets. - - Parameters - ---------- - d1, d2: list - A list, containing a list describing the data set + tuple + Tuple containing numpy.ndarray's with the summary statistics extracted from d1 and d2. """ - if not isinstance(d1, list): raise TypeError('Data is not of allowed types') if not isinstance(d2, list): @@ -146,21 +130,64 @@ def distance(self, d1, d2): s2 = self.statistics_calc.statistics(d2) + return self.s1, s2 + + +class Euclidean(Distance): + """ + This class implements the Euclidean distance between two vectors. + + The maximum value of the distance is np.inf. + """ + + def __init__(self, statistics): + """ + Parameters + ---------- + statistics_calc : abcpy.statistics.Statistics + Statistics extractor object that conforms to the Statistics class. + """ + super(Euclidean, self).__init__(statistics) + + def distance(self, d1, d2): + """Calculates the distance between two datasets, by computing Euclidean distance between each element of d1 and + d2 and taking their average. + + Parameters + ---------- + d1: Python list + Contains n1 data points. + d2: Python list + Contains n2 data points. + + Returns + ------- + numpy.float + The distance between the two input data sets. + """ + s1, s2 = self._calculate_summary_stat(d1, d2) + # compute distance between the statistics - dist = np.zeros(shape=(self.s1.shape[0], s2.shape[0])) - for ind1 in range(0, self.s1.shape[0]): + dist = np.zeros(shape=(s1.shape[0], s2.shape[0])) + for ind1 in range(0, s1.shape[0]): for ind2 in range(0, s2.shape[0]): - dist[ind1, ind2] = np.sqrt(np.sum(pow(self.s1[ind1, :] - s2[ind2, :], 2))) + dist[ind1, ind2] = np.sqrt(np.sum(pow(s1[ind1, :] - s2[ind2, :], 2))) return dist.mean() def dist_max(self): + """ + Returns + ------- + numpy.float + The maximal possible value of the desired distance function. + """ return np.inf class PenLogReg(Distance): """ - This class implements a distance mesure based on the classification accuracy. + This class implements a distance measure based on the classification accuracy. The classification accuracy is calculated between two dataset d1 and d2 using lasso penalized logistics regression and return it as a distance. The lasso @@ -178,12 +205,14 @@ class PenLogReg(Distance): """ def __init__(self, statistics): - self.statistics_calc = statistics + """ + Parameters + ---------- + statistics_calc : abcpy.statistics.Statistics + Statistics extractor object that conforms to the Statistics class. + """ + super(PenLogReg, self).__init__(statistics) - # Since the observations do always stay the same, we can save the summary statistics of them and not recalculate it each time - self.s1 = None - self.data_set = None - self.dataSame = False self.n_folds = 10 # for cross validation in PenLogReg def distance(self, d1, d2): @@ -191,30 +220,18 @@ def distance(self, d1, d2): Parameters ---------- - d1, d2: list - A list, containing a list describing the data set - """ - if not isinstance(d1, list): - raise TypeError('Data is not of allowed types') - if not isinstance(d2, list): - raise TypeError('Data is not of allowed types') - - # Check whether d1 is same as self.data_set - if self.data_set is not None: - # check that the the observations have the same length; if not, they can't be the same: - if len(d1) != len(self.data_set): - self.dataSame = False - elif len(np.array(d1[0]).reshape(-1, )) == 1: - self.dataSame = self.data_set == d1 - else: - self.dataSame = all([(np.array(self.data_set[i]) == np.array(d1[i])).all() for i in range(len(d1))]) + d1: Python list + Contains n1 data points. + d2: Python list + Contains n2 data points. - # Extract summary statistics from the dataset - if self.s1 is None or self.dataSame is False: - self.s1 = self.statistics_calc.statistics(d1) - self.data_set = d1 - self.n_simulate = self.s1.shape[0] - s2 = self.statistics_calc.statistics(d2) + Returns + ------- + numpy.float + The distance between the two input data sets. + """ + s1, s2 = self._calculate_summary_stat(d1, d2) + self.n_simulate = s1.shape[0] if not s2.shape[0] == self.n_simulate: raise RuntimeError("The number of simulations in the two data sets should be the same in order for " @@ -223,8 +240,8 @@ def distance(self, d1, d2): "the number of datasets in the observations.") # compute distance between the statistics - training_set_features = np.concatenate((self.s1, s2), axis=0) - label_s1 = np.zeros(shape=(len(self.s1), 1)) + training_set_features = np.concatenate((s1, s2), axis=0) + label_s1 = np.zeros(shape=(len(s1), 1)) label_s2 = np.ones(shape=(len(s2), 1)) training_set_labels = np.concatenate((label_s1, label_s2), axis=0).ravel() @@ -238,6 +255,12 @@ def distance(self, d1, d2): return distance def dist_max(self): + """ + Returns + ------- + numpy.float + The maximal possible value of the desired distance function. + """ return 1.0 @@ -251,12 +274,17 @@ class LogReg(Distance): """ def __init__(self, statistics, seed=None): - self.statistics_calc = statistics + """ + Parameters + ---------- + statistics_calc : abcpy.statistics.Statistics + Statistics extractor object that conforms to the Statistics class. + seed : integer, optionl + Seed used to initialize the Random Numbers Generator used to determine the (random) cross validation split + in the Logistic Regression classifier. + """ - # Since the observations do always stay the same, we can save the summary statistics of them and not recalculate it each time - self.s1 = None - self.data_set = None - self.dataSame = False + super(LogReg, self).__init__(statistics) # seed is used for a RandomState for the random split in the LogisticRegression classifier: self.rng = np.random.RandomState(seed=seed) @@ -265,34 +293,22 @@ def distance(self, d1, d2): Parameters ---------- - d1, d2: list - A list, containing a list describing the data set - """ + d1: Python list + Contains n1 data points. + d2: Python list + Contains n2 data points. - if not isinstance(d1, list): - raise TypeError('Data is not of allowed types') - if not isinstance(d2, list): - raise TypeError('Data is not of allowed types') + Returns + ------- + numpy.float + The distance between the two input data sets. + """ - # Check whether d1 is same as self.data_set - if self.data_set is not None: - # check that the the observations have the same length; if not, they can't be the same: - if len(d1) != len(self.data_set): - self.dataSame = False - elif len(np.array(d1[0]).reshape(-1, )) == 1: - self.dataSame = self.data_set == d1 - else: - self.dataSame = all([(np.array(self.data_set[i]) == np.array(d1[i])).all() for i in range(len(d1))]) - - # Extract summary statistics from the dataset - if self.s1 is None or self.dataSame is False: - self.s1 = self.statistics_calc.statistics(d1) - self.data_set = d1 - s2 = self.statistics_calc.statistics(d2) + s1, s2 = self._calculate_summary_stat(d1, d2) # compute distance between the statistics - training_set_features = np.concatenate((self.s1, s2), axis=0) - label_s1 = np.zeros(shape=(len(self.s1), 1)) + training_set_features = np.concatenate((s1, s2), axis=0) + label_s1 = np.zeros(shape=(len(s1), 1)) label_s2 = np.ones(shape=(len(s2), 1)) training_set_labels = np.concatenate((label_s1, label_s2), axis=0).ravel() @@ -305,4 +321,67 @@ def distance(self, d1, d2): return distance def dist_max(self): + """ + Returns + ------- + numpy.float + The maximal possible value of the desired distance function. + """ return 1.0 + + +class Wasserstein(Distance): + """This class implements a distance measure based on the 2-Wasserstein distance, as used in [1]. This considers the + several simulations/observations in the datasets as iid samples from the model for a fixed parameter value/from the + data generating model, and computes the 2-Wasserstein distance between the empirical distributions those + simulations/observations define. + + [1] Bernton, E., Jacob, P.E., Gerber, M. and Robert, C.P. (2019), Approximate Bayesian computation with the + Wasserstein distance. J. R. Stat. Soc. B, 81: 235-269. doi:10.1111/rssb.12312 + """ + + def __init__(self, statistics, num_iter_max=100000): + """ + Parameters + ---------- + statistics_calc : abcpy.statistics.Statistics + Statistics extractor object that conforms to the Statistics class. + num_iter_max : integer, optional + The maximum number of iterations in the linear programming algorithm to estimate the Wasserstein distance. + Default to 100000. + """ + + super(Wasserstein, self).__init__(statistics) + + self.num_iter_max = num_iter_max + + def distance(self, d1, d2): + """Calculates the distance between two datasets. + + Parameters + ---------- + d1: Python list + Contains n1 data points. + d2: Python list + Contains n2 data points. + + Returns + ------- + numpy.float + The distance between the two input data sets. + """ + s1, s2 = self._calculate_summary_stat(d1, d2) + + # compute the Wasserstein distance between the empirical distributions: + return wass_dist(samples_1=s1, samples_2=s2, num_iter_max=self.num_iter_max) + + def dist_max(self): + """ + Returns + ------- + numpy.float + The maximal possible value of the desired distance function. + """ + + # As the statistics are positive, the max possible value is 1 + return np.inf diff --git a/doc/source/class-diagram.png b/doc/source/class-diagram.png index d5bc304a62c032637b3f803b4a50c0037b1047d1..767fbff9718f804c0c56743ebac2eaba44113063 100644 GIT binary patch literal 551215 zcmdSA^vGuQdUxN=R93QGWD%co1y6D*(VY#@taF|(JI2h>J z8gbazo5U^(QDR|T#X>!}r|9}&e%Q@6%q4z$TXt4rSPVb(4n6(dtA6ygL%NnkTeVkQ z#*+fG$~7l4XJh)~qkOC?u~!Ut|6n<$1}mn9mHE*BkY`blH)c_Y4jsuQz~2_y7OENL<4N$uT3OjNA%QVt zVMVptp>qAo39ztkPM<>wu*?{ypT$PLxH|OEuN--E^df(K2PJ!S82mc*EM4yM(Z{u# zPZSlCtuW{pe63R3do3+3i5xh{*S`GEb*YYy(|#-=(H_bmDW(Op81-D=z~H{t zsiSWk&PcvHes}aM{8N9Xj`!dDqn~$Guk|C7|9@Ttthku}^BeL`@5RZL{(XG)Gl}KV zApU)TVLl=Z+!E_^3MH#J|R&iKp)-w|33Y{WH1CT4zJFTqGVr`Bdc1K;ojfw?zy^lSkvY$^Y*H z;zt)SCMY_(@YIKYq30X3lJbZi{UhM}D{C-VLkdZa$>A1<(25Vx_i?T*%~G04R6R2Il6)x^q-iR 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Implementing a new Distance --------------------------- We will now explain how you can implement your own distance measure. A new distance is implemented as a new class that -derives from :py:class`Distance ` and for which the following three methods have to be +derives from :py:class:`Distance ` and for which the following three methods have to be implemented: * :py:meth:`Distance.__init__() ` @@ -407,26 +407,23 @@ calculator should be provided. The following header conforms to this idea: .. literalinclude:: ../../abcpy/distances.py :language: python - :lines: 109-116 + :lines: 15,27-33 :dedent: 4 -Then, we need to define how the distance is calculated. First we compute the summary statistics from the datasets and -then compute the distance between the summary statistics. Notice, while computing the summary statistics we save the -first dataset and the corresponding summary statistics. This is since we always pass the observed dataset first to the -distance function. The observed dataset does not change during an inference computation and thus it is efficient to -compute it once and store it internally. (Notice, here the first input data is considered to be the observed data. Hence, -to save computation time of summary statistics from observed data, we save the summary from the observed data ad reuse them.) +Then, we need to define how the distance is calculated. We need first to compute the summary statistics from the datasets and after compute the distance between the summary statistics. Notice that we use the private method :py:meth:`Distance._calculate_summary_stat ` to compute the statistics from the dataset; internally, this saves the first dataset and the corresponding summary statistics while computing the summary statistics. In fact, we always pass the observed dataset first to the +distance function during inference and ,as this does not change, it is efficient to +compute it once and store it internally. At each call of the ``distance`` method, the first input is compared to the stored one and, only if they differ, the stored statistics is updated. .. literalinclude:: ../../abcpy/distances.py :language: python - :lines: 118-155 + :lines: 152-176 :dedent: 4 Finally, we need to define the maximal distance that can be obtained from this distance measure. .. literalinclude:: ../../abcpy/distances.py :language: python - :lines: 157-158 + :lines: 178-185 :dedent: 4 The newly defined distance class can be used in the same way as the already existing once. The complete example for this diff --git a/tests/distances_tests.py b/tests/distances_tests.py index 8121f568..349d25a6 100644 --- a/tests/distances_tests.py +++ b/tests/distances_tests.py @@ -2,7 +2,7 @@ import numpy as np -from abcpy.distances import Euclidean, PenLogReg, LogReg +from abcpy.distances import Euclidean, PenLogReg, LogReg, Wasserstein from abcpy.statistics import Identity @@ -94,5 +94,32 @@ def test_dist_max(self): self.assertTrue(self.distancefunc.dist_max() == 1.0) +class WassersteinTests(unittest.TestCase): + def setUp(self): + self.stat_calc = Identity(degree=2, cross=False) + self.distancefunc = Wasserstein(self.stat_calc) + self.rng = np.random.RandomState(1) + + def test_distance(self): + d1 = 0.5 * self.rng.randn(100, 2) - 10 + d2 = 0.5 * self.rng.randn(100, 2) + 10 + + d1 = d1.tolist() + d2 = d2.tolist() + + # Checks whether wrong input type produces error message + self.assertRaises(TypeError, self.distancefunc.distance, 3.4, d2) + self.assertRaises(TypeError, self.distancefunc.distance, d1, 3.4) + + # completely separable datasets should have a distance of 1.0 + self.assertEqual(self.distancefunc.distance(d1, d2), 28.623685155319652) + + # equal data sets should have a distance of approximately 0.0; it won't be exactly 0 due to numerical rounding + self.assertAlmostEqual(self.distancefunc.distance(d1, d1), 0.0, delta=1e-5) + + def test_dist_max(self): + self.assertTrue(self.distancefunc.dist_max() == np.inf) + + if __name__ == '__main__': unittest.main() From b1214272789c344e5d6b244dafc6abe61aae89de Mon Sep 17 00:00:00 2001 From: Lorenzo Pacchiardi Date: Tue, 22 Dec 2020 18:21:29 +0100 Subject: [PATCH 07/21] Stop tracking .idea files --- .gitignore | 2 + .idea/workspace.xml | 994 -------------------------------------------- 2 files changed, 2 insertions(+), 994 deletions(-) delete mode 100644 .idea/workspace.xml diff --git a/.gitignore b/.gitignore index 5e1c3034..990bbe4d 100644 --- a/.gitignore +++ b/.gitignore @@ -91,3 +91,5 @@ ENV/ # vim backup files # **/.*.sw? + +.idea/ diff --git a/.idea/workspace.xml b/.idea/workspace.xml deleted file mode 100644 index 1eabe5f6..00000000 --- a/.idea/workspace.xml +++ /dev/null @@ -1,994 +0,0 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 1578396278532 - - - 1604137972029 - - - 1604138363874 - - - 1604138448052 - - - 1604139367742 - - - 1604149285251 - - - 1604151173168 - - - 1604328916634 - - - 1604331793942 - - - 1604332544176 - - - 1604332567332 - - - 1604342853236 - - - 1604393743723 - - - 1604395862165 - - - 1604396677728 - - - 1604396727682 - - - 1604397700652 - - - 1604401611027 - - - 1604418805042 - - - 1604419547350 - - - 1604502557909 - - - 1604502680739 - - - 1604502949000 - - - 1604503125087 - - - 1604504610531 - - - 1604511069749 - - - 1604511757569 - - - 1604512088836 - - - 1604513665793 - - - 1604513927366 - - - 1604573055621 - - - 1604573920380 - - - 1604581444473 - - - 1604582706853 - - - 1604582721855 - - - 1604585363212 - - - 1604591540344 - - - 1604592907965 - - - 1604592948465 - - - 1604594048951 - - - 1604595223919 - - - 1604595233865 - - - 1604653645337 - - - 1604654292753 - - - 1604654587199 - - - 1604654594987 - - - 1604658963001 - - - 1604664209951 - - - 1604669989110 - - - 1604670332060 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - \ No newline at end of file From 584ef419aa73f6726eb936bead1efd569df70109 Mon Sep 17 00:00:00 2001 From: LoryPack Date: Tue, 22 Dec 2020 18:32:44 +0100 Subject: [PATCH 08/21] Add PMC with loglik --- abcpy/approx_lhd.py | 14 +- abcpy/inferences.py | 398 +++++++++++++++++++++++++++++++++++++- abcpy/jointapprox_lhd.py | 44 ++++- tests/inferences_tests.py | 66 ++++++- 4 files changed, 513 insertions(+), 9 deletions(-) diff --git a/abcpy/approx_lhd.py b/abcpy/approx_lhd.py index b69f8bc1..7752a673 100644 --- a/abcpy/approx_lhd.py +++ b/abcpy/approx_lhd.py @@ -105,7 +105,7 @@ def likelihood(self, y_obs, y_sim): # x_new = np.einsum('i,ij,j->', single_stat_obs - mean_sim, robust_precision_sim, single_stat_obs - mean_sim) # likelihoods[i] = np.exp(-0.5 * x_new) # do without for loop: - diff = self.stat_obs - mean_sim.reshape(1,-1) + diff = self.stat_obs - mean_sim.reshape(1, -1) x_news = np.einsum('bi,ij,bj->b', diff, robust_precision_sim, diff) likelihoods = np.exp(-0.5 * x_news) # looks like we are exponentiating the determinant as well, which is wrong; @@ -113,6 +113,8 @@ def likelihood(self, y_obs, y_sim): factor = pow(np.sqrt((1 / (2 * np.pi)) * robust_precision_sim_det), self.stat_obs.shape[0]) return np.prod(likelihoods) * factor # compute the product of the different likelihoods for each observation + def loglikelihood(self, y_obs, y_sim): # TODO: improve this, for now it is not ideal... + return np.log(self.likelihood(y_obs, y_sim)) class PenLogReg(Approx_likelihood, GraphTools): """This class implements the approximate likelihood function which computes the approximate @@ -165,10 +167,8 @@ def __init__(self, statistics_calc, model, n_simulate, n_folds=10, max_iter=1000 self.stat_obs = None self.data_set = None - - - def likelihood(self, y_obs, y_sim): + def loglikelihood(self, y_obs, y_sim): if not isinstance(y_obs, list): raise TypeError('Observed data is not of allowed types') @@ -206,10 +206,12 @@ def likelihood(self, y_obs, y_sim): groups += groups # duplicate it as groups need to be defined for both datasets m = LogitNet(alpha=1, n_splits=self.n_folds, max_iter=self.max_iter, random_state=self.seed, scoring="log_loss") m = m.fit(X, y, groups=groups) - result = np.exp(-np.sum((m.intercept_+np.sum(np.multiply(m.coef_,self.stat_obs),axis=1)),axis=0)) - + result = -np.sum((m.intercept_ + np.sum(np.multiply(m.coef_, self.stat_obs), axis=1)), axis=0) + return result + def likelihood(self, y_obs, y_sim): + return np.exp(self.loglikelihood(y_obs, y_sim)) def _simulate_ref_data(self, rng=np.random.RandomState()): """ diff --git a/abcpy/inferences.py b/abcpy/inferences.py index 77d161cd..f7566781 100644 --- a/abcpy/inferences.py +++ b/abcpy/inferences.py @@ -8,7 +8,7 @@ from abcpy.acceptedparametersmanager import * from abcpy.graphtools import GraphTools -from abcpy.jointapprox_lhd import ProductCombination +from abcpy.jointapprox_lhd import ProductCombination, SumCombination from abcpy.jointdistances import LinearCombination from abcpy.output import Journal from abcpy.perturbationkernel import DefaultKernel @@ -1019,6 +1019,401 @@ def _compute_accepted_cov_mats(self, covFactors, new_cov_mats): accepted_cov_mats.append((covFactor * new_cov_mat + 0.0001 * new_cov_mat).reshape(1, 1)) return accepted_cov_mats + +class PMCloglik(BaseLikelihood, InferenceMethod): + """ + Population Monte Carlo based inference scheme of Cappé et. al. [1]. + + This algorithm assumes a likelihood function is available and can be evaluated + at any parameter value given the oberved dataset. In absence of the + likelihood function or when it can't be evaluated with a rational + computational expenses, we use the approximated likelihood functions in + abcpy.approx_lhd module, for which the argument of the consistency of the + inference schemes are based on Andrieu and Roberts [2]. + + [1] Cappé, O., Guillin, A., Marin, J.-M., and Robert, C. P. (2004). Population Monte Carlo. + Journal of Computational and Graphical Statistics, 13(4), 907–929. + + [2] C. Andrieu and G. O. Roberts. The pseudo-marginal approach for efficient Monte Carlo computations. + Annals of Statistics, 37(2):697–725, 04 2009. + + Parameters + ---------- + model : list + A list of the Probabilistic models corresponding to the observed datasets + loglikfun : abcpy.approx_lhd.Approx_likelihood + Approx_loglikelihood object defining the approximated loglikelihood to be used. + kernel : abcpy.distributions.Distribution + Distribution object defining the perturbation kernel needed for the sampling. + backend : abcpy.backends.Backend + Backend object defining the backend to be used. + seed : integer, optional + Optional initial seed for the random number generator. The default value is generated randomly. + + """ + + model = None + likfun = None + kernel = None + rng = None + + n_samples = None + n_samples_per_param = None + + backend = None + + def __init__(self, root_models, loglikfuns, backend, kernel=None, seed=None): + self.model = root_models + # We define the joint Sum of Loglikelihood functions using all the loglikelihoods for each individual models + self.likfun = SumCombination(root_models, loglikfuns) + + if kernel is None: + + mapping, garbage_index = self._get_mapping() + models = [] + for mdl, mdl_index in mapping: + models.append(mdl) + kernel = DefaultKernel(models) + + self.kernel = kernel + self.backend = backend + self.rng = np.random.RandomState(seed) + self.logger = logging.getLogger(__name__) + + # these are usually big tables, so we broadcast them to have them once + # per executor instead of once per task + self.accepted_parameters_manager = AcceptedParametersManager(self.model) + + self.simulation_counter = 0 + + def sample(self, observations, steps, n_samples=10000, n_samples_per_param=100, covFactors=None, iniPoints=None, + full_output=0, journal_file=None): + """Samples from the posterior distribution of the model parameter given the observed + data observations. + + Parameters + ---------- + observations : list + A list, containing lists describing the observed data sets + steps : integer + number of iterations in the sequential algoritm ("generations") + n_samples : integer, optional + number of samples to generate. The default value is 10000. + n_samples_per_param : integer, optional + number of data points in each simulated data set. The default value is 100. + covFactors : list of float, optional + scaling parameter of the covariance matrix. The default is a p dimensional array of 1 when p is the + dimension of the parameter. + inipoints : numpy.ndarray, optional + parameter vaulues from where the sampling starts. By default sampled from the prior. + full_output: integer, optional + If full_output==1, intermediate results are included in output journal. + The default value is 0, meaning the intermediate results are not saved. + journal_file: str, optional + Filename of a journal file to read an already saved journal file, from which the first iteration will start. + The default value is None. + + + Returns + ------- + abcpy.output.Journal + A journal containing simulation results, metadata and optionally intermediate results. + """ + self.sample_from_prior(rng=self.rng) + + self.accepted_parameters_manager.broadcast(self.backend, observations) + self.n_samples = n_samples + self.n_samples_per_param = n_samples_per_param + + if journal_file is None: + journal = Journal(full_output) + journal.configuration["type_model"] = [type(model).__name__ for model in self.model] + journal.configuration["type_lhd_func"] = type(self.likfun).__name__ + journal.configuration["n_samples"] = self.n_samples + journal.configuration["n_samples_per_param"] = self.n_samples_per_param + journal.configuration["steps"] = steps + journal.configuration["covFactor"] = covFactors + journal.configuration["iniPoints"] = iniPoints + + else: + journal = Journal.fromFile(journal_file) + + accepted_parameters = None + accepted_weights = None + accepted_cov_mats = None + new_theta = None + + dim = len(self.get_parameters()) + + # Initialize particles: When not supplied, randomly draw them from prior distribution + # Weights of particles: Assign equal weights for each of the particles + if iniPoints == None: + accepted_parameters = [] + for ind in range(0, n_samples): + self.sample_from_prior(rng=self.rng) + accepted_parameters.append(self.get_parameters()) + accepted_weights = np.ones((n_samples, 1), dtype=np.float) / n_samples + else: + accepted_parameters = iniPoints + accepted_weights = np.ones((iniPoints.shape[0], 1), dtype=np.float) / iniPoints.shape[0] + + if covFactors is None: + covFactors = np.ones(shape=(len(self.kernel.kernels),)) + + self.accepted_parameters_manager.update_broadcast(self.backend, accepted_parameters=accepted_parameters, + accepted_weights=accepted_weights) + + # The parameters relevant to each kernel have to be used to calculate n_sample times. It is therefore more efficient + # to broadcast these parameters once, instead of collecting them at each kernel in each step + kernel_parameters = [] + for kernel in self.kernel.kernels: + kernel_parameters.append( + self.accepted_parameters_manager.get_accepted_parameters_bds_values(kernel.models)) + + self.accepted_parameters_manager.update_kernel_values(self.backend, kernel_parameters=kernel_parameters) + + # 3: calculate covariance + self.logger.info("Calculating covariance matrix") + + new_cov_mats = self.kernel.calculate_cov(self.accepted_parameters_manager) + # Since each entry of new_cov_mats is a numpy array, we can multiply like this + accepted_cov_mats = self._compute_accepted_cov_mats(covFactors, new_cov_mats) + # accepted_cov_mats = [covFactor * new_cov_mat for covFactor, new_cov_mat in zip(covFactors,new_cov_mats)] + + self.accepted_parameters_manager.update_broadcast(self.backend, accepted_cov_mats=accepted_cov_mats) + + # main SMC algorithm + self.logger.info("Starting pmc iterations") + for aStep in range(steps): + if aStep == 0 and journal_file is not None: + accepted_parameters = journal.get_accepted_parameters(-1) + accepted_weights = journal.get_weights(-1) + + self.accepted_parameters_manager.update_broadcast(self.backend, accepted_parameters=accepted_parameters, + accepted_weights=accepted_weights) + + kernel_parameters = [] + for kernel in self.kernel.kernels: + kernel_parameters.append( + self.accepted_parameters_manager.get_accepted_parameters_bds_values(kernel.models)) + + self.accepted_parameters_manager.update_kernel_values(self.backend, kernel_parameters=kernel_parameters) + + # 3: calculate covariance + self.logger.info("Calculating covariance matrix") + + new_cov_mats = self.kernel.calculate_cov(self.accepted_parameters_manager) + # Since each entry of new_cov_mats is a numpy array, we can multiply like this + + accepted_cov_mats = self._compute_accepted_cov_mats(covFactors, new_cov_mats) + # accepted_cov_mats = [covFactor * new_cov_mat for covFactor, new_cov_mat in zip(covFactors, new_cov_mats)] + + self.logger.info("Iteration {} of PMC algorithm".format(aStep)) + + # 0: update remotely required variables + self.logger.info("Broadcasting parameters") + self.accepted_parameters_manager.update_broadcast(self.backend, accepted_parameters=accepted_parameters, + accepted_weights=accepted_weights, + accepted_cov_mats=accepted_cov_mats) + + # 1: Resample parameters + self.logger.info("Resample parameters") + index = self.rng.choice(len(accepted_parameters), size=n_samples, p=accepted_weights.reshape(-1)) + # Choose a new particle using the resampled particle (make the boundary proper) + # Initialize new_parameters + new_parameters = [] + for ind in range(0, self.n_samples): + while True: + perturbation_output = self.perturb(index[ind], rng=self.rng) + if perturbation_output[0] and self.pdf_of_prior(self.model, perturbation_output[1]) != 0: + new_parameters.append(perturbation_output[1]) + break + + # 2: calculate approximate likelihood for new parameters + self.logger.info("Calculate approximate loglikelihood") + seed_arr = self.rng.randint(0, np.iinfo(np.uint32).max, size=self.n_samples, dtype=np.uint32) + rng_arr = np.array([np.random.RandomState(seed) for seed in seed_arr]) + data_arr = [] + for i in range(len(rng_arr)): + data_arr.append([new_parameters[i], rng_arr[i]]) + data_pds = self.backend.parallelize(data_arr) + + approx_log_likelihood_new_parameters_and_counter_pds = self.backend.map(self._approx_log_lik_calc, data_pds) + self.logger.debug("collect approximate likelihood from pds") + approx_log_likelihood_new_parameters_and_counter = self.backend.collect( + approx_log_likelihood_new_parameters_and_counter_pds) + approx_log_likelihood_new_parameters, counter = [list(t) for t in + zip(*approx_log_likelihood_new_parameters_and_counter)] + + approx_log_likelihood_new_parameters = np.array(approx_log_likelihood_new_parameters).reshape(-1, 1) + + for count in counter: + self.simulation_counter += count + + # 3: calculate new weights for new parameters + self.logger.info("Calculating weights") + new_parameters_pds = self.backend.parallelize(new_parameters) + new_weights_pds = self.backend.map(self._calculate_weight, new_parameters_pds) + new_weights = np.array(self.backend.collect(new_weights_pds)).reshape(-1, 1) + + new_log_weights = np.log(new_weights) + approx_log_likelihood_new_parameters + + # we get numerical issues often: + self.logger.info("range_of_weights (log): {}".format(np.max(new_log_weights) - np.min(new_log_weights))) + # sorted_weights = np.sort(new_log_weights) + # self.logger.info("Difference first second largest (log): {}".format(sorted_weights[-1] - sorted_weights[-2])) + + # center on log scale (avoid numerical issues): + new_weights = np.exp(new_log_weights - np.max(new_log_weights)) + sum_of_weights = np.sum(new_weights) + new_weights = new_weights / sum_of_weights + + # self.logger.info("new_weights : ", new_weights, ", sum_of_weights : ", sum_of_weights) + self.logger.info("sum_of_weights : {}".format(sum_of_weights)) + self.logger.info("ESS : {}".format(1 / sum(pow(new_weights / sum(new_weights), 2))[0])) + accepted_parameters = new_parameters + + self.accepted_parameters_manager.update_broadcast(self.backend, accepted_parameters=accepted_parameters, + accepted_weights=new_weights) + + # 4: calculate covariance + # The parameters relevant to each kernel have to be used to calculate n_sample times. It is therefore more efficient to broadcast these parameters once, instead of collecting them at each kernel in each step + self.logger.info("Calculating covariance matrix") + kernel_parameters = [] + for kernel in self.kernel.kernels: + kernel_parameters.append( + self.accepted_parameters_manager.get_accepted_parameters_bds_values(kernel.models)) + + self.accepted_parameters_manager.update_kernel_values(self.backend, kernel_parameters=kernel_parameters) + + # 3: calculate covariance + self.logger.info("Calculating covariance matrix") + + new_cov_mats = self.kernel.calculate_cov(self.accepted_parameters_manager) + # Since each entry of new_cov_mats is a numpy array, we can multiply like this + accepted_cov_mats = self._compute_accepted_cov_mats(covFactors, new_cov_mats) + # new_cov_mats = [covFactor * new_cov_mat for covFactor, new_cov_mat in zip(covFactors, new_cov_mats)] + + # 5: Update the newly computed values + accepted_parameters = new_parameters + accepted_weights = new_weights + # accepted_cov_mats = new_cov_mats + + self.logger.info("Saving configuration to output journal") + + if (full_output == 1 and aStep <= steps - 1) or (full_output == 0 and aStep == steps - 1): + journal.add_accepted_parameters(copy.deepcopy(accepted_parameters)) + journal.add_weights(copy.deepcopy(accepted_weights)) + journal.add_ESS_estimate(accepted_weights) + self.accepted_parameters_manager.update_broadcast(self.backend, accepted_parameters=accepted_parameters, + accepted_weights=accepted_weights) + names_and_parameters = self._get_names_and_parameters() + journal.add_user_parameters(names_and_parameters) + journal.number_of_simulations.append(self.simulation_counter) + + return journal + + # define helper functions for map step + def _approx_log_lik_calc(self, data, npc=None): + """ + Compute likelihood for new parameters using approximate likelihood function + Parameters + ---------- + data: list + A list containing a parameter value and a random numpy state, e.g. [theta, rng] + Returns + ------- + float + The approximated likelihood function + """ + + # Extract theta and rng + theta, rng = data[0], data[1] + + # Simulate the fake data from the model given the parameter value theta + self.logger.debug("Simulate model for parameter " + str(theta)) + self.set_parameters(theta) + y_sim = self.simulate(self.n_samples_per_param, rng=rng, npc=npc) + + self.logger.debug("Extracting observation.") + obs = self.accepted_parameters_manager.observations_bds.value() + + self.logger.debug("Computing likelihood...") + total_pdf_at_theta = 1. + + # lhd = self.likfun.likelihood(obs, y_sim) + loglhd = self.likfun.loglikelihood(obs, y_sim) + + self.logger.debug("LogLikelihood is :" + str(loglhd)) + + log_pdf_at_theta = np.log(self.pdf_of_prior(self.model, theta)) + + self.logger.debug("Prior pdf evaluated at theta is :" + str(log_pdf_at_theta)) + + log_pdf_at_theta += loglhd + + return log_pdf_at_theta, self.n_samples_per_param + + def _calculate_weight(self, theta, npc=None): + """ + Calculates the weight for the given parameter using + accepted_parameters, accepted_cov_mat + + Parameters + ---------- + theta: np.ndarray + 1xp matrix containing the model parameters, where p is the number of parameters + + Returns + ------- + float + The new weight for theta + """ + + self.logger.debug("_calculate_weight") + + if self.accepted_parameters_manager.accepted_weights_bds is None: + return 1.0 / self.n_samples + else: + prior_prob = self.pdf_of_prior(self.model, theta) + + mapping_for_kernels, garbage_index = self.accepted_parameters_manager.get_mapping( + self.accepted_parameters_manager.model) + + pdf_values = np.array([self.kernel.pdf(mapping_for_kernels, self.accepted_parameters_manager, + self.accepted_parameters_manager.accepted_parameters_bds.value()[i], + theta) for i in range(self.n_samples)]) + + denominator = np.sum(self.accepted_parameters_manager.accepted_weights_bds.value().reshape(-1) * pdf_values) + + return 1.0 * prior_prob / denominator + + def _compute_accepted_cov_mats(self, covFactors, new_cov_mats): + """ + Update the covariance matrices computed from data by multiplying them with covFactors and adding a small term in + the diagonal for numerical stability. + + Parameters + ---------- + covFactors : list of float + factors to correct the covariance matrices + new_cov_mats : list + list of covariance matrices computed from data + Returns + ------- + list + List of new accepted covariance matrices + """ + accepted_cov_mats = [] + for covFactor, new_cov_mat in zip(covFactors, new_cov_mats): + if not (new_cov_mat.size == 1): + accepted_cov_mats.append( + covFactor * new_cov_mat + 0.0001 * np.trace(new_cov_mat) * np.eye(new_cov_mat.shape[0])) + else: + accepted_cov_mats.append((covFactor * new_cov_mat + 0.0001 * new_cov_mat).reshape(1, 1)) + return accepted_cov_mats + + class SABC(BaseDiscrepancy, InferenceMethod): """ This class implements a modified version of Simulated Annealing Approximate Bayesian Computation (SABC) of [1] @@ -2627,6 +3022,7 @@ def _compute_accepted_cov_mats(self, covFactor, new_cov_mats): accepted_cov_mats.append((covFactor * new_cov_mat + 0.0001 * new_cov_mat).reshape(1, 1)) return accepted_cov_mats + class SMCABC(BaseDiscrepancy, InferenceMethod): """This class implements Sequential Monte Carlo Approximate Bayesian computation of Del Moral et al. [1]. diff --git a/abcpy/jointapprox_lhd.py b/abcpy/jointapprox_lhd.py index 23e96821..01988842 100644 --- a/abcpy/jointapprox_lhd.py +++ b/abcpy/jointapprox_lhd.py @@ -1,5 +1,7 @@ from abc import ABCMeta, abstractmethod +import numpy as np + class JointApprox_likelihood(metaclass=ABCMeta): """This abstract base class defines how the combination of distances computed on the observed and @@ -83,4 +85,44 @@ def likelihood(self, d1, d2): for ind in range(len(self.approx_lhds)): combined_likelihood *= self.approx_lhds[ind].likelihood(d1[ind], d2[ind]) - return combined_likelihood \ No newline at end of file + return combined_likelihood + + +class SumCombination(JointApprox_likelihood): + """ + This class implements the product combination of different approximate likelihoods computed on different datasets corresponding to + different root models + + """ + + def __init__(self, models, approx_lhds): + + if len(models) != len(approx_lhds): + raise ValueError('Number of root models and Number of assigned approximate likelihoods are not same') + + self.models = models + self.approx_lhds = approx_lhds + + def loglikelihood(self, d1, d2): + """Combine the distances between different datasets. + + Parameters + ---------- + d1, d2: list + A list, containing lists describing the different data sets + """ + if not isinstance(d1, list): + raise TypeError('Data is not of allowed types') + if not isinstance(d2, list): + raise TypeError('Data is not of allowed types') + if len(d1) != len(d2): + raise ValueError('Both the datasets should contain dataset for each of the root models') + + combined_likelihood = 0 + for ind in range(len(self.approx_lhds)): + combined_likelihood += self.approx_lhds[ind].loglikelihood(d1[ind], d2[ind]) + + return combined_likelihood + + def likelihood(self, d1, d2): + return np.exp(self.loglikelihood(d1, d2)) diff --git a/tests/inferences_tests.py b/tests/inferences_tests.py index 3a17094d..1446cf73 100644 --- a/tests/inferences_tests.py +++ b/tests/inferences_tests.py @@ -7,7 +7,7 @@ from abcpy.continuousmodels import Normal from abcpy.continuousmodels import Uniform from abcpy.distances import Euclidean -from abcpy.inferences import RejectionABC, PMC, PMCABC, SABC, ABCsubsim, SMCABC, APMCABC, RSMCABC +from abcpy.inferences import RejectionABC, PMC, PMCABC, SABC, ABCsubsim, SMCABC, APMCABC, RSMCABC, PMCloglik from abcpy.statistics import Identity @@ -120,6 +120,70 @@ def test_sample(self): self.assertFalse(journal.number_of_simulations == 0) +class PMCloglikTests(unittest.TestCase): + # test if PMCloglik gives same result as PMC + + def test_sample(self): + # setup backend + backend = BackendDummy() + + # define a uniform prior distribution + mu = Uniform([[-5.0], [5.0]], name='mu') + sigma = Uniform([[0.0], [10.0]], name='sigma') + # define a Gaussian model + self.model = Normal([mu, sigma]) + + # define sufficient statistics for the model + stat_calc = Identity(degree=2, cross=0) + + # create fake observed data + # y_obs = self.model.forward_simulate(1, np.random.RandomState(1))[0].tolist() + y_obs = [np.array(9.8)] + + # Define the likelihood function + likfun = SynLikelihood(stat_calc) + + T, n_sample, n_samples_per_param = 1, 10, 100 + + # do with likelihood: + sampler = PMC([self.model], [likfun], backend, seed=1) + journal = sampler.sample([y_obs], T, n_sample, n_samples_per_param, covFactors=np.array([.1, .1]), + iniPoints=None) + # Compute posterior mean + mu_post_mean, sigma_post_mean = journal.posterior_mean()['mu'], journal.posterior_mean()['sigma'] + + # do with loglikelihood: + sampler_log = PMCloglik([self.model], [likfun], backend, seed=1) + journal_log = sampler_log.sample([y_obs], T, n_sample, n_samples_per_param, covFactors=np.array([.1, .1]), + iniPoints=None) + # Compute posterior mean + mu_post_mean_log, sigma_post_mean_log = journal_log.posterior_mean()['mu'], journal_log.posterior_mean()[ + 'sigma'] + + self.assertAlmostEqual(mu_post_mean, mu_post_mean_log) + self.assertAlmostEqual(sigma_post_mean, sigma_post_mean_log) + + # use the PMC scheme for T = 2 + T, n_sample, n_samples_per_param = 2, 10, 100 + # do with likelihood: + sampler = PMC([self.model], [likfun], backend, seed=1) + journal = sampler.sample([y_obs], T, n_sample, n_samples_per_param, covFactors=np.array([.1, .1]), + iniPoints=None) + # Compute posterior mean + mu_post_mean, sigma_post_mean = journal.posterior_mean()['mu'], journal.posterior_mean()['sigma'] + + # do with loglikelihood: + sampler_log = PMCloglik([self.model], [likfun], backend, seed=1) + journal_log = sampler_log.sample([y_obs], T, n_sample, n_samples_per_param, covFactors=np.array([.1, .1]), + iniPoints=None) + # Compute posterior mean + mu_post_mean_log, sigma_post_mean_log = journal_log.posterior_mean()['mu'], journal_log.posterior_mean()[ + 'sigma'] + + self.assertAlmostEqual(mu_post_mean, mu_post_mean_log) + self.assertAlmostEqual(sigma_post_mean, sigma_post_mean_log) + + class PMCABCTests(unittest.TestCase): def setUp(self): # find spark and initialize it From 8ff88be3456388199d9f0d0f1db2f12fdf80e10e Mon Sep 17 00:00:00 2001 From: LoryPack Date: Wed, 23 Dec 2020 11:00:18 +0100 Subject: [PATCH 09/21] Fix tests without Pytorch --- .travis.yml | 1 + tests/statistics_tests.py | 3 +- tests/statisticslearning_tests.py | 91 +++++++++++++++++-------------- 3 files changed, 52 insertions(+), 43 deletions(-) diff --git a/.travis.yml b/.travis.yml index 1a433fed..e90de7d7 100644 --- a/.travis.yml +++ b/.travis.yml @@ -41,6 +41,7 @@ jobs: python: "3.8" env: - NO_PYTORCH=true + - UNIT_TEST=true - stage: deploy script: - echo "Required dummy override of default 'script' in .travis.yml." diff --git a/tests/statistics_tests.py b/tests/statistics_tests.py index 334421d2..5628920a 100644 --- a/tests/statistics_tests.py +++ b/tests/statistics_tests.py @@ -3,7 +3,6 @@ import numpy as np from abcpy.statistics import Identity, LinearTransformation, NeuralEmbedding -from abcpy.NN_utilities.networks import ScalerAndNet try: import torch @@ -11,7 +10,7 @@ has_torch = False else: has_torch = True - from abcpy.NN_utilities.networks import createDefaultNN + from abcpy.NN_utilities.networks import createDefaultNN, ScalerAndNet class IdentityTests(unittest.TestCase): diff --git a/tests/statisticslearning_tests.py b/tests/statisticslearning_tests.py index 7fffd7c2..77823cdb 100644 --- a/tests/statisticslearning_tests.py +++ b/tests/statisticslearning_tests.py @@ -95,47 +95,56 @@ def test_transformation(self): self.assertRaises(ValueError, self.new_statistics_calculator_with_scaler.statistics, [np.array([1, 2])]) def test_errors(self): - with self.assertRaises(RuntimeError): - self.statisticslearning = SemiautomaticNN([self.Y], self.statistics_cal, self.backend, n_samples=1000, - n_samples_per_param=1, seed=1, parameters=np.ones((100, 1))) - with self.assertRaises(RuntimeError): - self.statisticslearning = SemiautomaticNN([self.Y], self.statistics_cal, self.backend, n_samples=1000, - n_samples_per_param=1, seed=1, simulations=np.ones((100, 1))) - with self.assertRaises(RuntimeError): - self.statisticslearning = SemiautomaticNN([self.Y], self.statistics_cal, self.backend, n_samples=1000, - n_samples_per_param=1, seed=1, simulations=np.ones((100, 1, 3))) - with self.assertRaises(RuntimeError): - self.statisticslearning = SemiautomaticNN([self.Y], self.statistics_cal, self.backend, n_samples=1000, - n_samples_per_param=1, seed=1, parameters=np.ones((100, 1, 2))) - with self.assertRaises(RuntimeError): - self.statisticslearning = SemiautomaticNN([self.Y], self.statistics_cal, self.backend, n_samples=1000, - n_samples_per_param=1, seed=1, simulations=np.ones((100, 1)), - parameters=np.zeros((99, 1))) - with self.assertRaises(RuntimeError): - self.statisticslearning = SemiautomaticNN([self.Y], self.statistics_cal, self.backend, n_samples=1000, - n_samples_per_param=1, seed=1, parameters_val=np.ones((100, 1))) - with self.assertRaises(RuntimeError): - self.statisticslearning = SemiautomaticNN([self.Y], self.statistics_cal, self.backend, n_samples=1000, - n_samples_per_param=1, seed=1, simulations_val=np.ones((100, 1))) - with self.assertRaises(RuntimeError): - self.statisticslearning = SemiautomaticNN([self.Y], self.statistics_cal, self.backend, n_samples=1000, - n_samples_per_param=1, seed=1, simulations_val=np.ones((100, 1, 3))) - with self.assertRaises(RuntimeError): - self.statisticslearning = SemiautomaticNN([self.Y], self.statistics_cal, self.backend, n_samples=1000, - n_samples_per_param=1, seed=1, parameters_val=np.ones((100, 1, 2))) - with self.assertRaises(RuntimeError): - self.statisticslearning = SemiautomaticNN([self.Y], self.statistics_cal, self.backend, n_samples=1000, - n_samples_per_param=1, seed=1, simulations_val=np.ones((100, 1)), - parameters_val=np.zeros((99, 1))) - with self.assertRaises(TypeError): - self.statisticslearning = SemiautomaticNN([self.Y], self.statistics_cal, self.backend, n_samples=1000, - n_samples_per_param=1, seed=1, parameters=[i for i in range(10)], - simulations=[i for i in range(10)]) - with self.assertRaises(TypeError): - self.statisticslearning = SemiautomaticNN([self.Y], self.statistics_cal, self.backend, n_samples=1000, - n_samples_per_param=1, seed=1, - parameters_val=[i for i in range(10)], - simulations_val=[i for i in range(10)]) + if has_torch: + with self.assertRaises(RuntimeError): + self.statisticslearning = SemiautomaticNN([self.Y], self.statistics_cal, self.backend, n_samples=1000, + n_samples_per_param=1, seed=1, parameters=np.ones((100, 1))) + with self.assertRaises(RuntimeError): + self.statisticslearning = SemiautomaticNN([self.Y], self.statistics_cal, self.backend, n_samples=1000, + n_samples_per_param=1, seed=1, simulations=np.ones((100, 1))) + with self.assertRaises(RuntimeError): + self.statisticslearning = SemiautomaticNN([self.Y], self.statistics_cal, self.backend, n_samples=1000, + n_samples_per_param=1, seed=1, + simulations=np.ones((100, 1, 3))) + with self.assertRaises(RuntimeError): + self.statisticslearning = SemiautomaticNN([self.Y], self.statistics_cal, self.backend, n_samples=1000, + n_samples_per_param=1, seed=1, + parameters=np.ones((100, 1, 2))) + with self.assertRaises(RuntimeError): + self.statisticslearning = SemiautomaticNN([self.Y], self.statistics_cal, self.backend, n_samples=1000, + n_samples_per_param=1, seed=1, simulations=np.ones((100, 1)), + parameters=np.zeros((99, 1))) + with self.assertRaises(RuntimeError): + self.statisticslearning = SemiautomaticNN([self.Y], self.statistics_cal, self.backend, n_samples=1000, + n_samples_per_param=1, seed=1, + parameters_val=np.ones((100, 1))) + with self.assertRaises(RuntimeError): + self.statisticslearning = SemiautomaticNN([self.Y], self.statistics_cal, self.backend, n_samples=1000, + n_samples_per_param=1, seed=1, + simulations_val=np.ones((100, 1))) + with self.assertRaises(RuntimeError): + self.statisticslearning = SemiautomaticNN([self.Y], self.statistics_cal, self.backend, n_samples=1000, + n_samples_per_param=1, seed=1, + simulations_val=np.ones((100, 1, 3))) + with self.assertRaises(RuntimeError): + self.statisticslearning = SemiautomaticNN([self.Y], self.statistics_cal, self.backend, n_samples=1000, + n_samples_per_param=1, seed=1, + parameters_val=np.ones((100, 1, 2))) + with self.assertRaises(RuntimeError): + self.statisticslearning = SemiautomaticNN([self.Y], self.statistics_cal, self.backend, n_samples=1000, + n_samples_per_param=1, seed=1, + simulations_val=np.ones((100, 1)), + parameters_val=np.zeros((99, 1))) + with self.assertRaises(TypeError): + self.statisticslearning = SemiautomaticNN([self.Y], self.statistics_cal, self.backend, n_samples=1000, + n_samples_per_param=1, seed=1, + parameters=[i for i in range(10)], + simulations=[i for i in range(10)]) + with self.assertRaises(TypeError): + self.statisticslearning = SemiautomaticNN([self.Y], self.statistics_cal, self.backend, n_samples=1000, + n_samples_per_param=1, seed=1, + parameters_val=[i for i in range(10)], + simulations_val=[i for i in range(10)]) class ContrastiveDistanceLearningTests(unittest.TestCase): From 8bd200c5fba2b991b3150334e26af2b5ab0fffaf Mon Sep 17 00:00:00 2001 From: LoryPack Date: Wed, 23 Dec 2020 11:18:19 +0100 Subject: [PATCH 10/21] Fix tests without Pytorch --- tests/test_examples.py | 17 ++++++++++++----- 1 file changed, 12 insertions(+), 5 deletions(-) diff --git a/tests/test_examples.py b/tests/test_examples.py index 6df38ddc..c5658d39 100644 --- a/tests/test_examples.py +++ b/tests/test_examples.py @@ -1,6 +1,12 @@ """Tests here the examples which do not require parallelization.""" import unittest +try: + import torch +except ImportError: + has_torch = False +else: + has_torch = True class ExampleApproxLhdTest(unittest.TestCase): @@ -83,11 +89,12 @@ def test_random_forest(self): class ExampleStatisticsLearningTest(unittest.TestCase): def test_pmcabc(self): - from examples.statisticslearning.pmcabc_gaussian_statistics_learning import infer_parameters - journal = infer_parameters(steps=1, n_sample=50) - test_result = journal.posterior_mean()["mu"] - expected_result = 172.52136853079725 - self.assertAlmostEqual(test_result, expected_result) + if has_torch: + from examples.statisticslearning.pmcabc_gaussian_statistics_learning import infer_parameters + journal = infer_parameters(steps=1, n_sample=50) + test_result = journal.posterior_mean()["mu"] + expected_result = 172.52136853079725 + self.assertAlmostEqual(test_result, expected_result) if __name__ == '__main__': From 92709eadd28a0f018da74ba989369e30388bf236 Mon Sep 17 00:00:00 2001 From: LoryPack Date: Wed, 23 Dec 2020 13:11:29 +0100 Subject: [PATCH 11/21] Remove PMC with likelihood (keep only loglik) --- abcpy/approx_lhd.py | 24 ++- abcpy/inferences.py | 379 -------------------------------------- abcpy/jointapprox_lhd.py | 8 +- tests/approx_lhd_tests.py | 34 ++-- tests/inferences_tests.py | 66 +------ 5 files changed, 33 insertions(+), 478 deletions(-) diff --git a/abcpy/approx_lhd.py b/abcpy/approx_lhd.py index 7752a673..4d3ddc34 100644 --- a/abcpy/approx_lhd.py +++ b/abcpy/approx_lhd.py @@ -27,8 +27,8 @@ def __init__(self, statistics_calc): raise NotImplemented @abstractmethod - def likelihood(self, y_obs, y_sim): - """To be overwritten by any sub-class: should compute the approximate likelihood + def loglikelihood(self, y_obs, y_sim): + """To be overwritten by any sub-class: should compute the approximate loglikelihood value given the observed data set y_obs and the data set y_sim simulated from model set at the parameter value. @@ -42,11 +42,14 @@ def likelihood(self, y_obs, y_sim): Returns ------- float - Computed approximate likelihood. + Computed approximate loglikelihood. """ raise NotImplemented + def likelihood(self, y_obs, y_sim): + return np.exp(self.loglikelihood(y_obs, y_sim)) + class SynLikelihood(Approx_likelihood): """This class implements the approximate likelihood function which computes the approximate @@ -66,7 +69,7 @@ def __init__(self, statistics_calc): self.data_set = None self.statistics_calc = statistics_calc - def likelihood(self, y_obs, y_sim): + def loglikelihood(self, y_obs, y_sim): # print("DEBUG: SynLikelihood.likelihood().") if not isinstance(y_obs, list): # print("type(y_obs) : ", type(y_obs), " , type(y_sim) : ", type(y_sim)) @@ -97,7 +100,7 @@ def likelihood(self, y_obs, y_sim): mean_sim = np.mean(stat_sim, 0) lw_cov_, _ = ledoit_wolf(stat_sim) robust_precision_sim = np.linalg.inv(lw_cov_) - robust_precision_sim_det = np.linalg.det(robust_precision_sim) + sign_logdet, robust_precision_sim_logdet = np.linalg.slogdet(robust_precision_sim) # we do not need sign # print("DEBUG: combining.") # we may have different observation; loop on those now: # likelihoods = np.zeros(self.stat_obs.shape[0]) @@ -107,14 +110,12 @@ def likelihood(self, y_obs, y_sim): # do without for loop: diff = self.stat_obs - mean_sim.reshape(1, -1) x_news = np.einsum('bi,ij,bj->b', diff, robust_precision_sim, diff) - likelihoods = np.exp(-0.5 * x_news) + logliks = -0.5 * x_news # looks like we are exponentiating the determinant as well, which is wrong; # this is however a constant which should not change the algorithms afterwards. - factor = pow(np.sqrt((1 / (2 * np.pi)) * robust_precision_sim_det), self.stat_obs.shape[0]) - return np.prod(likelihoods) * factor # compute the product of the different likelihoods for each observation + logfactor = 0.5 * self.stat_obs.shape[0] * (np.log(1 / (2 * np.pi)) + robust_precision_sim_logdet) + return np.sum(logliks) + logfactor # compute the sum of the different loglikelihoods for each observation - def loglikelihood(self, y_obs, y_sim): # TODO: improve this, for now it is not ideal... - return np.log(self.likelihood(y_obs, y_sim)) class PenLogReg(Approx_likelihood, GraphTools): """This class implements the approximate likelihood function which computes the approximate @@ -210,9 +211,6 @@ def loglikelihood(self, y_obs, y_sim): return result - def likelihood(self, y_obs, y_sim): - return np.exp(self.loglikelihood(y_obs, y_sim)) - def _simulate_ref_data(self, rng=np.random.RandomState()): """ Simulate the reference data set. This code is run at the initialization of diff --git a/abcpy/inferences.py b/abcpy/inferences.py index f7566781..66699999 100644 --- a/abcpy/inferences.py +++ b/abcpy/inferences.py @@ -658,385 +658,6 @@ class PMC(BaseLikelihood, InferenceMethod): [2] C. Andrieu and G. O. Roberts. The pseudo-marginal approach for efficient Monte Carlo computations. Annals of Statistics, 37(2):697–725, 04 2009. - Parameters - ---------- - model : list - A list of the Probabilistic models corresponding to the observed datasets - likfun : abcpy.approx_lhd.Approx_likelihood - Approx_likelihood object defining the approximated likelihood to be used. - kernel : abcpy.distributions.Distribution - Distribution object defining the perturbation kernel needed for the sampling. - backend : abcpy.backends.Backend - Backend object defining the backend to be used. - seed : integer, optional - Optional initial seed for the random number generator. The default value is generated randomly. - - """ - - model = None - likfun = None - kernel = None - rng = None - - n_samples = None - n_samples_per_param = None - - backend = None - - def __init__(self, root_models, likfuns, backend, kernel=None, seed=None): - self.model = root_models - # We define the joint Product of likelihood functions using all the likelihoods for each individual models - self.likfun = ProductCombination(root_models, likfuns) - - if kernel is None: - - mapping, garbage_index = self._get_mapping() - models = [] - for mdl, mdl_index in mapping: - models.append(mdl) - kernel = DefaultKernel(models) - - self.kernel = kernel - self.backend = backend - self.rng = np.random.RandomState(seed) - self.logger = logging.getLogger(__name__) - - # these are usually big tables, so we broadcast them to have them once - # per executor instead of once per task - self.accepted_parameters_manager = AcceptedParametersManager(self.model) - - self.simulation_counter = 0 - - def sample(self, observations, steps, n_samples=10000, n_samples_per_param=100, covFactors=None, iniPoints=None, - full_output=0, journal_file=None): - """Samples from the posterior distribution of the model parameter given the observed - data observations. - - Parameters - ---------- - observations : list - A list, containing lists describing the observed data sets - steps : integer - number of iterations in the sequential algoritm ("generations") - n_samples : integer, optional - number of samples to generate. The default value is 10000. - n_samples_per_param : integer, optional - number of data points in each simulated data set. The default value is 100. - covFactor : list of float, optional - scaling parameter of the covariance matrix. The default is a p dimensional array of 1 when p is the dimension of the parameter. - inipoints : numpy.ndarray, optional - parameter vaulues from where the sampling starts. By default sampled from the prior. - full_output: integer, optional - If full_output==1, intermediate results are included in output journal. - The default value is 0, meaning the intermediate results are not saved. - journal_file: str, optional - Filename of a journal file to read an already saved journal file, from which the first iteration will start. - The default value is None. - - - Returns - ------- - abcpy.output.Journal - A journal containing simulation results, metadata and optionally intermediate results. - """ - self.sample_from_prior(rng=self.rng) - - self.accepted_parameters_manager.broadcast(self.backend, observations) - self.n_samples = n_samples - self.n_samples_per_param = n_samples_per_param - - if journal_file is None: - journal = Journal(full_output) - journal.configuration["type_model"] = [type(model).__name__ for model in self.model] - journal.configuration["type_lhd_func"] = type(self.likfun).__name__ - journal.configuration["n_samples"] = self.n_samples - journal.configuration["n_samples_per_param"] = self.n_samples_per_param - journal.configuration["steps"] = steps - journal.configuration["covFactor"] = covFactors - journal.configuration["iniPoints"] = iniPoints - - else: - journal = Journal.fromFile(journal_file) - - accepted_parameters = None - accepted_weights = None - accepted_cov_mats = None - new_theta = None - - dim = len(self.get_parameters()) - - # Initialize particles: When not supplied, randomly draw them from prior distribution - # Weights of particles: Assign equal weights for each of the particles - if iniPoints is None: - accepted_parameters = [] - for ind in range(0, n_samples): - self.sample_from_prior(rng=self.rng) - accepted_parameters.append(self.get_parameters()) - accepted_weights = np.ones((n_samples, 1), dtype=np.float) / n_samples - else: - accepted_parameters = iniPoints - accepted_weights = np.ones((iniPoints.shape[0], 1), dtype=np.float) / iniPoints.shape[0] - - if covFactors is None: - covFactors = np.ones(shape=(len(self.kernel.kernels),)) - - self.accepted_parameters_manager.update_broadcast(self.backend, accepted_parameters=accepted_parameters, - accepted_weights=accepted_weights) - - # The parameters relevant to each kernel have to be used to calculate n_sample times. It is therefore more efficient - # to broadcast these parameters once, instead of collecting them at each kernel in each step - kernel_parameters = [] - for kernel in self.kernel.kernels: - kernel_parameters.append( - self.accepted_parameters_manager.get_accepted_parameters_bds_values(kernel.models)) - - self.accepted_parameters_manager.update_kernel_values(self.backend, kernel_parameters=kernel_parameters) - - # 3: calculate covariance - self.logger.info("Calculating covariance matrix") - - new_cov_mats = self.kernel.calculate_cov(self.accepted_parameters_manager) - # Since each entry of new_cov_mats is a numpy array, we can multiply like this - accepted_cov_mats = self._compute_accepted_cov_mats(covFactors, new_cov_mats) - # accepted_cov_mats = [covFactor * new_cov_mat for covFactor, new_cov_mat in zip(covFactors,new_cov_mats)] - - self.accepted_parameters_manager.update_broadcast(self.backend, accepted_cov_mats=accepted_cov_mats) - - # main SMC algorithm - self.logger.info("Starting pmc iterations") - for aStep in range(steps): - if aStep == 0 and journal_file is not None: - accepted_parameters = journal.get_accepted_parameters(-1) - accepted_weights = journal.get_weights(-1) - - self.accepted_parameters_manager.update_broadcast(self.backend, accepted_parameters=accepted_parameters, - accepted_weights=accepted_weights) - - kernel_parameters = [] - for kernel in self.kernel.kernels: - kernel_parameters.append( - self.accepted_parameters_manager.get_accepted_parameters_bds_values(kernel.models)) - - self.accepted_parameters_manager.update_kernel_values(self.backend, kernel_parameters=kernel_parameters) - - # 3: calculate covariance - self.logger.info("Calculating covariance matrix") - - new_cov_mats = self.kernel.calculate_cov(self.accepted_parameters_manager) - # Since each entry of new_cov_mats is a numpy array, we can multiply like this - - accepted_cov_mats = self._compute_accepted_cov_mats(covFactors, new_cov_mats) - # accepted_cov_mats = [covFactor * new_cov_mat for covFactor, new_cov_mat in zip(covFactors, new_cov_mats)] - - self.logger.info("Iteration {} of PMC algorithm".format(aStep)) - - # 0: update remotely required variables - self.logger.info("Broadcasting parameters") - self.accepted_parameters_manager.update_broadcast(self.backend, accepted_parameters=accepted_parameters, - accepted_weights=accepted_weights, - accepted_cov_mats=accepted_cov_mats) - - # 1: Resample parameters - self.logger.info("Resample parameters") - index = self.rng.choice(len(accepted_parameters), size=n_samples, p=accepted_weights.reshape(-1)) - # Choose a new particle using the resampled particle (make the boundary proper) - # Initialize new_parameters - new_parameters = [] - for ind in range(0, self.n_samples): - while True: - perturbation_output = self.perturb(index[ind], rng=self.rng) - if perturbation_output[0] and self.pdf_of_prior(self.model, perturbation_output[1]) != 0: - new_parameters.append(perturbation_output[1]) - break - - # 2: calculate approximate likelihood for new parameters - self.logger.info("Calculate approximate likelihood") - seed_arr = self.rng.randint(0, np.iinfo(np.uint32).max, size=self.n_samples, dtype=np.uint32) - rng_arr = np.array([np.random.RandomState(seed) for seed in seed_arr]) - data_arr = [] - data_arr = list(zip(new_parameters, rng_arr)) - data_pds = self.backend.parallelize(data_arr) - - approx_likelihood_new_parameters_and_counter_pds = self.backend.map(self._approx_lik_calc, data_pds) - self.logger.debug("collect approximate likelihood from pds") - approx_likelihood_new_parameters_and_counter = self.backend.collect( - approx_likelihood_new_parameters_and_counter_pds) - approx_likelihood_new_parameters, counter = [list(t) for t in - zip(*approx_likelihood_new_parameters_and_counter)] - - approx_likelihood_new_parameters = np.array(approx_likelihood_new_parameters).reshape(-1, 1) - - for count in counter: - self.simulation_counter += count - - # 3: calculate new weights for new parameters - self.logger.info("Calculating weights") - new_parameters_pds = self.backend.parallelize(new_parameters) - new_weights_pds = self.backend.map(self._calculate_weight, new_parameters_pds) - new_weights = np.array(self.backend.collect(new_weights_pds)).reshape(-1, 1) - - new_weights = new_weights * approx_likelihood_new_parameters - sum_of_weights = np.sum(new_weights) - - new_weights = new_weights / sum_of_weights - - # self.logger.info("new_weights : ", new_weights, ", sum_of_weights : ", sum_of_weights) - self.logger.info("sum_of_weights : {}".format(sum_of_weights)) - accepted_parameters = new_parameters # this is repeated uselessly below - - self.accepted_parameters_manager.update_broadcast(self.backend, accepted_parameters=accepted_parameters, - accepted_weights=new_weights) - - # 4: calculate covariance - # The parameters relevant to each kernel have to be used to calculate n_sample times. It is therefore more efficient to broadcast these parameters once, instead of collecting them at each kernel in each step - self.logger.info("Calculating covariance matrix") - kernel_parameters = [self.accepted_parameters_manager.get_accepted_parameters_bds_values(kernel.models) for - kernel in self.kernel.kernels] - - self.accepted_parameters_manager.update_kernel_values(self.backend, kernel_parameters=kernel_parameters) - - # 3: calculate covariance - self.logger.info("Calculating covariance matrix") - - new_cov_mats = self.kernel.calculate_cov(self.accepted_parameters_manager) - # Since each entry of new_cov_mats is a numpy array, we can multiply like this - accepted_cov_mats = self._compute_accepted_cov_mats(covFactors, new_cov_mats) - # new_cov_mats = [covFactor * new_cov_mat for covFactor, new_cov_mat in zip(covFactors, new_cov_mats)] - - # 5: Update the newly computed values - accepted_parameters = new_parameters - accepted_weights = new_weights - # accepted_cov_mats = new_cov_mats - - self.logger.info("Saving configuration to output journal") - - if (full_output == 1 and aStep <= steps - 1) or (full_output == 0 and aStep == steps - 1): - journal.add_accepted_parameters(copy.deepcopy(accepted_parameters)) - journal.add_weights(copy.deepcopy(accepted_weights)) - journal.add_ESS_estimate(accepted_weights) - self.accepted_parameters_manager.update_broadcast(self.backend, accepted_parameters=accepted_parameters, - accepted_weights=accepted_weights) - names_and_parameters = self._get_names_and_parameters() - journal.add_user_parameters(names_and_parameters) - journal.number_of_simulations.append(self.simulation_counter) - - return journal - - # define helper functions for map step - def _approx_lik_calc(self, data, npc=None): - """ - Compute likelihood for new parameters using approximate likelihood function - Parameters - ---------- - data: list - A list containing a parameter value and a random numpy state, e.g. [theta, rng] - Returns - ------- - float - The approximated likelihood function - """ - - # Extract theta and rng - theta, rng = data[0], data[1] - - # Simulate the fake data from the model given the parameter value theta - self.logger.debug("Simulate model for parameter " + str(theta)) - self.set_parameters(theta) - y_sim = self.simulate(self.n_samples_per_param, rng=rng, npc=npc) - - self.logger.debug("Extracting observation.") - obs = self.accepted_parameters_manager.observations_bds.value() - - self.logger.debug("Computing likelihood...") - total_pdf_at_theta = 1. - - lhd = self.likfun.likelihood(obs, y_sim) - - self.logger.debug("Likelihood is :" + str(lhd)) - pdf_at_theta = self.pdf_of_prior(self.model, theta) - - total_pdf_at_theta *= (pdf_at_theta * lhd) - - self.logger.debug("Prior pdf evaluated at theta is :" + str(pdf_at_theta)) - - return total_pdf_at_theta, self.n_samples_per_param - - def _calculate_weight(self, theta, npc=None): - """ - Calculates the weight for the given parameter using - accepted_parameters, accepted_cov_mat - - Parameters - ---------- - theta: np.ndarray - 1xp matrix containing the model parameters, where p is the number of parameters - - Returns - ------- - float - The new weight for theta - """ - - self.logger.debug("_calculate_weight") - - if self.accepted_parameters_manager.accepted_weights_bds is None: - return 1.0 / self.n_samples - else: - prior_prob = self.pdf_of_prior(self.model, theta) - - mapping_for_kernels, garbage_index = self.accepted_parameters_manager.get_mapping( - self.accepted_parameters_manager.model) - - pdf_values = np.array([self.kernel.pdf(mapping_for_kernels, self.accepted_parameters_manager, - self.accepted_parameters_manager.accepted_parameters_bds.value()[i], - theta) for i in range(self.n_samples)]) - denominator = np.sum(self.accepted_parameters_manager.accepted_weights_bds.value().reshape(-1) * pdf_values) - - return 1.0 * prior_prob / denominator - - def _compute_accepted_cov_mats(self, covFactors, new_cov_mats): - """ - Update the covariance matrices computed from data by multiplying them with covFactors and adding a small term in - the diagonal for numerical stability. - - Parameters - ---------- - covFactors : list of float - factors to correct the covariance matrices - new_cov_mats : list - list of covariance matrices computed from data - Returns - ------- - list - List of new accepted covariance matrices - """ - accepted_cov_mats = [] - for covFactor, new_cov_mat in zip(covFactors, new_cov_mats): - if not (new_cov_mat.size == 1): - accepted_cov_mats.append( - covFactor * new_cov_mat + 0.0001 * np.trace(new_cov_mat) * np.eye(new_cov_mat.shape[0])) - else: - accepted_cov_mats.append((covFactor * new_cov_mat + 0.0001 * new_cov_mat).reshape(1, 1)) - return accepted_cov_mats - - -class PMCloglik(BaseLikelihood, InferenceMethod): - """ - Population Monte Carlo based inference scheme of Cappé et. al. [1]. - - This algorithm assumes a likelihood function is available and can be evaluated - at any parameter value given the oberved dataset. In absence of the - likelihood function or when it can't be evaluated with a rational - computational expenses, we use the approximated likelihood functions in - abcpy.approx_lhd module, for which the argument of the consistency of the - inference schemes are based on Andrieu and Roberts [2]. - - [1] Cappé, O., Guillin, A., Marin, J.-M., and Robert, C. P. (2004). Population Monte Carlo. - Journal of Computational and Graphical Statistics, 13(4), 907–929. - - [2] C. Andrieu and G. O. Roberts. The pseudo-marginal approach for efficient Monte Carlo computations. - Annals of Statistics, 37(2):697–725, 04 2009. - Parameters ---------- model : list diff --git a/abcpy/jointapprox_lhd.py b/abcpy/jointapprox_lhd.py index 01988842..9784c0c5 100644 --- a/abcpy/jointapprox_lhd.py +++ b/abcpy/jointapprox_lhd.py @@ -53,8 +53,8 @@ def likelihood(self, d1, d2): class ProductCombination(JointApprox_likelihood): """ - This class implements the product combination of different approximate likelihoods computed on different datasets corresponding to - different root models + This class implements the product combination of different approximate likelihoods computed on different datasets + corresponding to different root models. This is not used anymore as we not use loglikelihoods in PMC """ @@ -90,8 +90,8 @@ def likelihood(self, d1, d2): class SumCombination(JointApprox_likelihood): """ - This class implements the product combination of different approximate likelihoods computed on different datasets corresponding to - different root models + This class implements the sum combination of different approximate loglikelihoods computed on different datasets + corresponding to different root models """ diff --git a/tests/approx_lhd_tests.py b/tests/approx_lhd_tests.py index 9f005e74..2942f007 100644 --- a/tests/approx_lhd_tests.py +++ b/tests/approx_lhd_tests.py @@ -36,33 +36,33 @@ def setUp(self): def test_likelihood(self): # Checks whether wrong input type produces error message - self.assertRaises(TypeError, self.likfun.likelihood, 3.4, [2, 1]) - self.assertRaises(TypeError, self.likfun.likelihood, [2, 4], 3.4) + self.assertRaises(TypeError, self.likfun.loglikelihood, 3.4, [2, 1]) + self.assertRaises(TypeError, self.likfun.loglikelihood, [2, 4], 3.4) # create observed data - comp_likelihood = self.likfun.likelihood(self.y_obs, self.y_sim) + comp_likelihood = self.likfun.loglikelihood(self.y_obs, self.y_sim) expected_likelihood = 9.77317308598673e-08 # This checks whether it computes a correct value and dimension is right. Not correct as it does not check the # absolute value: # self.assertLess(comp_likelihood - expected_likelihood, 10e-2) - self.assertAlmostEqual(comp_likelihood, expected_likelihood) + self.assertAlmostEqual(comp_likelihood, np.log(expected_likelihood)) # check if it returns the correct error when n_samples does not match: - self.assertRaises(RuntimeError, self.likfun_wrong_n_sim.likelihood, self.y_obs, self.y_sim) + self.assertRaises(RuntimeError, self.likfun_wrong_n_sim.loglikelihood, self.y_obs, self.y_sim) # try now with the bivariate uniform model: - comp_likelihood_biv = self.likfun_bivariate.likelihood(self.y_obs_bivariate, self.y_sim_bivariate) + comp_likelihood_biv = self.likfun_bivariate.loglikelihood(self.y_obs_bivariate, self.y_sim_bivariate) expected_likelihood_biv = 0.999999999999999 - self.assertAlmostEqual(comp_likelihood_biv, expected_likelihood_biv) + self.assertAlmostEqual(comp_likelihood_biv, np.log(expected_likelihood_biv)) def test_likelihood_multiple_observations(self): - comp_likelihood = self.likfun.likelihood(self.y_obs, self.y_sim) + comp_likelihood = self.likfun.loglikelihood(self.y_obs, self.y_sim) expected_likelihood = 9.77317308598673e-08 - self.assertAlmostEqual(comp_likelihood, expected_likelihood) + self.assertAlmostEqual(comp_likelihood, np.log(expected_likelihood)) expected_likelihood_biv = 0.9999999999999979 - comp_likelihood_biv = self.likfun_bivariate.likelihood(self.y_obs_bivariate, self.y_sim_bivariate) - self.assertAlmostEqual(comp_likelihood_biv, expected_likelihood_biv) + comp_likelihood_biv = self.likfun_bivariate.loglikelihood(self.y_obs_bivariate, self.y_sim_bivariate) + self.assertAlmostEqual(comp_likelihood_biv, np.log(expected_likelihood_biv)) class SynLikelihoodTests(unittest.TestCase): @@ -79,24 +79,24 @@ def setUp(self): def test_likelihood(self): # Checks whether wrong input type produces error message - self.assertRaises(TypeError, self.likfun.likelihood, 3.4, [2, 1]) - self.assertRaises(TypeError, self.likfun.likelihood, [2, 4], 3.4) + self.assertRaises(TypeError, self.likfun.loglikelihood, 3.4, [2, 1]) + self.assertRaises(TypeError, self.likfun.loglikelihood, [2, 4], 3.4) # create observed data y_obs = [1.8] # calculate the statistics of the observed data - comp_likelihood = self.likfun.likelihood(y_obs, self.y_sim) + comp_likelihood = self.likfun.loglikelihood(y_obs, self.y_sim) expected_likelihood = 0.20963610211945238 # This checks whether it computes a correct value and dimension is right - self.assertAlmostEqual(comp_likelihood, expected_likelihood) + self.assertAlmostEqual(comp_likelihood, np.log(expected_likelihood)) def test_likelihood_multiple_observations(self): y_obs = [1.8, 0.9] - comp_likelihood = self.likfun.likelihood(y_obs, self.y_sim) + comp_likelihood = self.likfun.loglikelihood(y_obs, self.y_sim) print(comp_likelihood) expected_likelihood = 0.04457899184856649 # This checks whether it computes a correct value and dimension is right - self.assertAlmostEqual(comp_likelihood, expected_likelihood) + self.assertAlmostEqual(comp_likelihood, np.log(expected_likelihood)) if __name__ == '__main__': diff --git a/tests/inferences_tests.py b/tests/inferences_tests.py index 1446cf73..3a17094d 100644 --- a/tests/inferences_tests.py +++ b/tests/inferences_tests.py @@ -7,7 +7,7 @@ from abcpy.continuousmodels import Normal from abcpy.continuousmodels import Uniform from abcpy.distances import Euclidean -from abcpy.inferences import RejectionABC, PMC, PMCABC, SABC, ABCsubsim, SMCABC, APMCABC, RSMCABC, PMCloglik +from abcpy.inferences import RejectionABC, PMC, PMCABC, SABC, ABCsubsim, SMCABC, APMCABC, RSMCABC from abcpy.statistics import Identity @@ -120,70 +120,6 @@ def test_sample(self): self.assertFalse(journal.number_of_simulations == 0) -class PMCloglikTests(unittest.TestCase): - # test if PMCloglik gives same result as PMC - - def test_sample(self): - # setup backend - backend = BackendDummy() - - # define a uniform prior distribution - mu = Uniform([[-5.0], [5.0]], name='mu') - sigma = Uniform([[0.0], [10.0]], name='sigma') - # define a Gaussian model - self.model = Normal([mu, sigma]) - - # define sufficient statistics for the model - stat_calc = Identity(degree=2, cross=0) - - # create fake observed data - # y_obs = self.model.forward_simulate(1, np.random.RandomState(1))[0].tolist() - y_obs = [np.array(9.8)] - - # Define the likelihood function - likfun = SynLikelihood(stat_calc) - - T, n_sample, n_samples_per_param = 1, 10, 100 - - # do with likelihood: - sampler = PMC([self.model], [likfun], backend, seed=1) - journal = sampler.sample([y_obs], T, n_sample, n_samples_per_param, covFactors=np.array([.1, .1]), - iniPoints=None) - # Compute posterior mean - mu_post_mean, sigma_post_mean = journal.posterior_mean()['mu'], journal.posterior_mean()['sigma'] - - # do with loglikelihood: - sampler_log = PMCloglik([self.model], [likfun], backend, seed=1) - journal_log = sampler_log.sample([y_obs], T, n_sample, n_samples_per_param, covFactors=np.array([.1, .1]), - iniPoints=None) - # Compute posterior mean - mu_post_mean_log, sigma_post_mean_log = journal_log.posterior_mean()['mu'], journal_log.posterior_mean()[ - 'sigma'] - - self.assertAlmostEqual(mu_post_mean, mu_post_mean_log) - self.assertAlmostEqual(sigma_post_mean, sigma_post_mean_log) - - # use the PMC scheme for T = 2 - T, n_sample, n_samples_per_param = 2, 10, 100 - # do with likelihood: - sampler = PMC([self.model], [likfun], backend, seed=1) - journal = sampler.sample([y_obs], T, n_sample, n_samples_per_param, covFactors=np.array([.1, .1]), - iniPoints=None) - # Compute posterior mean - mu_post_mean, sigma_post_mean = journal.posterior_mean()['mu'], journal.posterior_mean()['sigma'] - - # do with loglikelihood: - sampler_log = PMCloglik([self.model], [likfun], backend, seed=1) - journal_log = sampler_log.sample([y_obs], T, n_sample, n_samples_per_param, covFactors=np.array([.1, .1]), - iniPoints=None) - # Compute posterior mean - mu_post_mean_log, sigma_post_mean_log = journal_log.posterior_mean()['mu'], journal_log.posterior_mean()[ - 'sigma'] - - self.assertAlmostEqual(mu_post_mean, mu_post_mean_log) - self.assertAlmostEqual(sigma_post_mean, sigma_post_mean_log) - - class PMCABCTests(unittest.TestCase): def setUp(self): # find spark and initialize it From ab67f78d0d5a8bee39cea28ea7f3c6d7608fe5fd Mon Sep 17 00:00:00 2001 From: LoryPack Date: Wed, 23 Dec 2020 13:12:40 +0100 Subject: [PATCH 12/21] Remove PMC with likelihood (keep only loglik) --- abcpy/inferences.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/abcpy/inferences.py b/abcpy/inferences.py index 66699999..95b878c4 100644 --- a/abcpy/inferences.py +++ b/abcpy/inferences.py @@ -8,7 +8,7 @@ from abcpy.acceptedparametersmanager import * from abcpy.graphtools import GraphTools -from abcpy.jointapprox_lhd import ProductCombination, SumCombination +from abcpy.jointapprox_lhd import SumCombination from abcpy.jointdistances import LinearCombination from abcpy.output import Journal from abcpy.perturbationkernel import DefaultKernel From c557e1d72e0f5c7b13f8ad88f3e350a443ef70b9 Mon Sep 17 00:00:00 2001 From: LoryPack Date: Wed, 23 Dec 2020 14:40:59 +0100 Subject: [PATCH 13/21] Fix bug PMCABC #78 --- abcpy/inferences.py | 14 +++++++------- 1 file changed, 7 insertions(+), 7 deletions(-) diff --git a/abcpy/inferences.py b/abcpy/inferences.py index 95b878c4..23dfd5fb 100644 --- a/abcpy/inferences.py +++ b/abcpy/inferences.py @@ -406,12 +406,11 @@ def sample(self, observations, steps, epsilon_init, n_samples=10000, n_samples_p # Define epsilon_arr if len(epsilon_init) == steps: epsilon_arr = epsilon_init + elif len(epsilon_init) == 1: + epsilon_arr = [None] * steps + epsilon_arr[0] = epsilon_init else: - if len(epsilon_init) == 1: - epsilon_arr = [None] * steps - epsilon_arr[0] = epsilon_init - else: - raise ValueError("The length of epsilon_init can only be equal to 1 or steps.") + raise ValueError("The length of epsilon_init can only be equal to 1 or steps.") # main PMCABC algorithm self.logger.info("Starting PMC iterations") @@ -435,7 +434,7 @@ def sample(self, observations, steps, epsilon_init, n_samples=10000, n_samples_p new_cov_mats = self.kernel.calculate_cov(self.accepted_parameters_manager) # Since each entry of new_cov_mats is a numpy array, we can multiply like this # accepted_cov_mats = [covFactor * new_cov_mat for new_cov_mat in new_cov_mats] - accepted_cov_mats = self._compute_accepted_cov_mats(covFactor, accepted_cov_mats) + accepted_cov_mats = self._compute_accepted_cov_mats(covFactor, new_cov_mats) seed_arr = self.rng.randint(0, np.iinfo(np.uint32).max, size=n_samples, dtype=np.uint32) rng_arr = np.array([np.random.RandomState(seed) for seed in seed_arr]) @@ -497,7 +496,8 @@ def sample(self, observations, steps, epsilon_init, n_samples=10000, n_samples_p self.logger.info("Calculating covariance matrix") new_cov_mats = self.kernel.calculate_cov(self.accepted_parameters_manager) # Since each entry of new_cov_mats is a numpy array, we can multiply like this - new_cov_mats = [covFactor * new_cov_mat for new_cov_mat in new_cov_mats] + # new_cov_mats = [covFactor * new_cov_mat for new_cov_mat in new_cov_mats] + new_cov_mats = self._compute_accepted_cov_mats(covFactor, new_cov_mats) # 4: Update the newly computed values accepted_parameters = new_parameters From 815b53a1a498e8b00ebc4ef677cb4dac89bc550d Mon Sep 17 00:00:00 2001 From: LoryPack Date: Wed, 23 Dec 2020 15:08:00 +0100 Subject: [PATCH 14/21] Fix very small numerical difference in test result --- tests/test_examples_mpi.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/test_examples_mpi.py b/tests/test_examples_mpi.py index e7f6af83..1f148ac6 100644 --- a/tests/test_examples_mpi.py +++ b/tests/test_examples_mpi.py @@ -27,7 +27,7 @@ def test_example(self): from examples.backends.mpi.pmcabc_gaussian import infer_parameters journal = infer_parameters(backend_mpi, steps=3, n_sample=50) test_result = journal.posterior_mean()['mu'] - expected_result = 174.94717012502286 + expected_result = 174.94735914414332 self.assertAlmostEqual(test_result, expected_result) From 2c806b7405753573fee1ee21ac8f8cf59c24ce83 Mon Sep 17 00:00:00 2001 From: LoryPack Date: Wed, 23 Dec 2020 15:21:54 +0100 Subject: [PATCH 15/21] Fix PMCABC to have coherent results if stopping and restarting --- abcpy/inferences.py | 10 +++++++++- tests/inferences_tests.py | 19 +++++++++++++++++++ 2 files changed, 28 insertions(+), 1 deletion(-) diff --git a/abcpy/inferences.py b/abcpy/inferences.py index 23dfd5fb..278a14b7 100644 --- a/abcpy/inferences.py +++ b/abcpy/inferences.py @@ -420,6 +420,11 @@ def sample(self, observations, steps, epsilon_init, n_samples=10000, n_samples_p accepted_parameters = journal.get_accepted_parameters(-1) accepted_weights = journal.get_weights(-1) + if hasattr(journal, "distances"): + # if restarting from a journal, use the previous distances to check determine a new epsilon + # (it if is larger than the epsilon_arr[0] provided here) + epsilon_arr[0] = np.max([np.percentile(journal.distances[-1], epsilon_percentile), epsilon_arr[0]]) + self.accepted_parameters_manager.update_broadcast(self.backend, accepted_parameters=accepted_parameters, accepted_weights=accepted_weights) @@ -518,7 +523,10 @@ def sample(self, observations, steps, epsilon_init, n_samples=10000, n_samples_p journal.number_of_simulations.append(self.simulation_counter) # Add epsilon_arr to the journal - journal.configuration["epsilon_arr"] = epsilon_arr + if journal_file is not None and "epsilon_arr" in journal.configuration.keys(): + journal.configuration["epsilon_arr"] += epsilon_arr + else: + journal.configuration["epsilon_arr"] = epsilon_arr return journal diff --git a/tests/inferences_tests.py b/tests/inferences_tests.py index 3a17094d..ed685125 100644 --- a/tests/inferences_tests.py +++ b/tests/inferences_tests.py @@ -211,6 +211,25 @@ def test_sample(self): self.assertFalse(journal.number_of_simulations == 0) + def test_restart_from_journal(self): + n_sample, n_simulate, eps_arr, eps_percentile = 10, 1, [10, 5], 10 + + # 2 steps with intermediate journal: + sampler = PMCABC([self.model], [self.dist_calc], self.backend, seed=1) + sampler.sample_from_prior(rng=np.random.RandomState(1)) + journal_intermediate = sampler.sample([self.observation], 1, [eps_arr[0]], n_sample, n_simulate, eps_percentile) + journal_intermediate.save("tmp.jnl") + journal_final_1 = sampler.sample([self.observation], 1, [eps_arr[1]], n_sample, n_simulate, eps_percentile, + journal_file="tmp.jnl") + + # 2 steps directly + sampler = PMCABC([self.model], [self.dist_calc], self.backend, seed=1) + sampler.sample_from_prior(rng=np.random.RandomState(1)) + journal_final_2 = sampler.sample([self.observation], 2, eps_arr, n_sample, n_simulate, eps_percentile) + + self.assertEqual(journal_final_1.configuration["epsilon_arr"], journal_final_2.configuration["epsilon_arr"]) + self.assertEqual(journal_final_1.posterior_mean()['mu'], journal_final_2.posterior_mean()['mu']) + class SABCTests(unittest.TestCase): def setUp(self): From 966d22456980b774b25bcc3822584f4bf8544966 Mon Sep 17 00:00:00 2001 From: LoryPack Date: Thu, 14 Jan 2021 18:36:30 +0100 Subject: [PATCH 16/21] Improve docstring following #81 --- abcpy/distances.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/abcpy/distances.py b/abcpy/distances.py index 92cc1418..19a9e608 100644 --- a/abcpy/distances.py +++ b/abcpy/distances.py @@ -268,6 +268,8 @@ class LogReg(Distance): """This class implements a distance measure based on the classification accuracy [1]. The classification accuracy is calculated between two dataset d1 and d2 using logistics regression and return it as a distance. The maximum value of the distance is 1.0. + The logistic regression may not converge when using one single sample in each dataset (as for instance by putting + n_samples_per_param=1 in an inference routine). [1] Gutmann, M. U., Dutta, R., Kaski, S., & Corander, J. (2018). Likelihood-free inference via classification. Statistics and Computing, 28(2), 411-425. From 8058cdd543e7d8308e327c3963026c732496cfa5 Mon Sep 17 00:00:00 2001 From: LoryPack Date: Thu, 14 Jan 2021 19:54:51 +0100 Subject: [PATCH 17/21] Fix environment.yml for binder (after #81) --- environment.yml | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/environment.yml b/environment.yml index e4a535a3..e8a04900 100644 --- a/environment.yml +++ b/environment.yml @@ -3,4 +3,6 @@ channels: dependencies: - openmpi - mpi4py -- numpy \ No newline at end of file +- numpy +- pip: + - abcpy \ No newline at end of file From f7dc21b28dd0d2a20a5f1546163b2d9955616da8 Mon Sep 17 00:00:00 2001 From: LoryPack Date: Fri, 15 Jan 2021 09:58:53 +0100 Subject: [PATCH 18/21] Add publication to README.md --- README.md | 1 + 1 file changed, 1 insertion(+) diff --git a/README.md b/README.md index e33a6244..311e22d8 100644 --- a/README.md +++ b/README.md @@ -92,6 +92,7 @@ ABCpy for your publication, we would appreciate a citation. You can use Publications in which ABCpy was applied: +* L. Pacchiardi, R. Dutta. "Score Matched Conditional Exponential Families for Likelihood-Free Inference", 2020, arXiv:2012.10903. * R. Dutta, K. Zouaoui-Boudjeltia, C. Kotsalos, A. Rousseau, D. Ribeiro de Sousa, J. M. Desmet, A. Van Meerhaeghe, A. Mira, and B. Chopard. "Interpretable pathological test for Cardio-vascular disease: Approximate Bayesian computation with distance learning.", 2020, arXiv:2010.06465. From 3ca4853f64bb1769f3430d79b3f78408707c4f49 Mon Sep 17 00:00:00 2001 From: LoryPack Date: Wed, 20 Jan 2021 10:09:30 +0100 Subject: [PATCH 19/21] Add additional test for PMCABC starting from journal --- abcpy/inferences.py | 1 + tests/inferences_tests.py | 18 +++++++++++++++++- 2 files changed, 18 insertions(+), 1 deletion(-) diff --git a/abcpy/inferences.py b/abcpy/inferences.py index 278a14b7..137302c8 100644 --- a/abcpy/inferences.py +++ b/abcpy/inferences.py @@ -423,6 +423,7 @@ def sample(self, observations, steps, epsilon_init, n_samples=10000, n_samples_p if hasattr(journal, "distances"): # if restarting from a journal, use the previous distances to check determine a new epsilon # (it if is larger than the epsilon_arr[0] provided here) + self.logger.info("Calculating acceptances threshold from provided journal file") epsilon_arr[0] = np.max([np.percentile(journal.distances[-1], epsilon_percentile), epsilon_arr[0]]) self.accepted_parameters_manager.update_broadcast(self.backend, accepted_parameters=accepted_parameters, diff --git a/tests/inferences_tests.py b/tests/inferences_tests.py index ed685125..ffd1ce3e 100644 --- a/tests/inferences_tests.py +++ b/tests/inferences_tests.py @@ -212,8 +212,8 @@ def test_sample(self): self.assertFalse(journal.number_of_simulations == 0) def test_restart_from_journal(self): + # test with value of eps_arr_2 > percentile of distances n_sample, n_simulate, eps_arr, eps_percentile = 10, 1, [10, 5], 10 - # 2 steps with intermediate journal: sampler = PMCABC([self.model], [self.dist_calc], self.backend, seed=1) sampler.sample_from_prior(rng=np.random.RandomState(1)) @@ -221,7 +221,23 @@ def test_restart_from_journal(self): journal_intermediate.save("tmp.jnl") journal_final_1 = sampler.sample([self.observation], 1, [eps_arr[1]], n_sample, n_simulate, eps_percentile, journal_file="tmp.jnl") + # 2 steps directly + sampler = PMCABC([self.model], [self.dist_calc], self.backend, seed=1) + sampler.sample_from_prior(rng=np.random.RandomState(1)) + journal_final_2 = sampler.sample([self.observation], 2, eps_arr, n_sample, n_simulate, eps_percentile) + + self.assertEqual(journal_final_1.configuration["epsilon_arr"], journal_final_2.configuration["epsilon_arr"]) + self.assertEqual(journal_final_1.posterior_mean()['mu'], journal_final_2.posterior_mean()['mu']) + # test with value of eps_arr_2 < percentile of distances + n_sample, n_simulate, eps_arr, eps_percentile = 10, 1, [10, 1], 10 + # 2 steps with intermediate journal: + sampler = PMCABC([self.model], [self.dist_calc], self.backend, seed=1) + sampler.sample_from_prior(rng=np.random.RandomState(1)) + journal_intermediate = sampler.sample([self.observation], 1, [eps_arr[0]], n_sample, n_simulate, eps_percentile) + journal_intermediate.save("tmp.jnl") + journal_final_1 = sampler.sample([self.observation], 1, [eps_arr[1]], n_sample, n_simulate, eps_percentile, + journal_file="tmp.jnl") # 2 steps directly sampler = PMCABC([self.model], [self.dist_calc], self.backend, seed=1) sampler.sample_from_prior(rng=np.random.RandomState(1)) From d7d3d07e171d71003c2307c7395e0b8f03aed008 Mon Sep 17 00:00:00 2001 From: statrita2004 Date: Thu, 21 Jan 2021 10:48:37 +0000 Subject: [PATCH 20/21] Small edits in Readme --- README.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index 311e22d8..6a69e352 100644 --- a/README.md +++ b/README.md @@ -93,6 +93,7 @@ ABCpy for your publication, we would appreciate a citation. You can use Publications in which ABCpy was applied: * L. Pacchiardi, R. Dutta. "Score Matched Conditional Exponential Families for Likelihood-Free Inference", 2020, arXiv:2012.10903. + * R. Dutta, K. Zouaoui-Boudjeltia, C. Kotsalos, A. Rousseau, D. Ribeiro de Sousa, J. M. Desmet, A. Van Meerhaeghe, A. Mira, and B. Chopard. "Interpretable pathological test for Cardio-vascular disease: Approximate Bayesian computation with distance learning.", 2020, arXiv:2010.06465. @@ -117,8 +118,7 @@ Approximate Bayesian Computation to Model a Volcanic Eruption", 2020, Sankhya B, * A. Ebert, R. Dutta, P. Wu, K. Mengersen and A. Mira, "Likelihood-Free Parameter Estimation for Dynamic Queueing Networks", 2018, arXiv:1804.02526. -* R. Dutta, M. Schoengens, A. Ummadisingu, N. Widerman, J. P. Onnela, A. Mira, "ABCpy: A - High-Performance Computing Perspective to Approximate Bayesian Computation", 2017, arXiv:1711.04694. +* R. Dutta, M. Schoengens, L. Pacchiardi, A. Ummadisingu, N. Widerman, J. P. Onnela, A. Mira, "ABCpy: A High-Performance Computing Perspective to Approximate Bayesian Computation", 2020, arXiv:1711.04694. ## License ABCpy is published under the BSD 3-clause license, see [here](LICENSE). From 59c4e4843bf496197d14173d8573e8b0d72b410d Mon Sep 17 00:00:00 2001 From: statrita2004 Date: Thu, 21 Jan 2021 11:55:31 +0000 Subject: [PATCH 21/21] Correcting the versions 0.6.1 --- README.md | 6 +++--- doc/source/installation.rst | 2 +- 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/README.md b/README.md index 110555e1..7734297e 100644 --- a/README.md +++ b/README.md @@ -27,9 +27,9 @@ scientists by providing # Documentation For more information, check out the -* [Documentation](http://abcpy.readthedocs.io/en/v0.6.0) -* [Examples](https://github.com/eth-cscs/abcpy/tree/v0.6.0/examples) directory and -* [Reference](http://abcpy.readthedocs.io/en/v0.6.0/abcpy.html) +* [Documentation](http://abcpy.readthedocs.io/en/v0.6.1) +* [Examples](https://github.com/eth-cscs/abcpy/tree/v0.6.1/examples) directory and +* [Reference](http://abcpy.readthedocs.io/en/v0.6.1/abcpy.html) Further, we provide a diff --git a/doc/source/installation.rst b/doc/source/installation.rst index dbd7b56a..9b2c0708 100644 --- a/doc/source/installation.rst +++ b/doc/source/installation.rst @@ -36,7 +36,7 @@ To create a package and install it, do make package pip3 install wheel - pip3 install build/dist/abcpy-0.6.0-py3-none-any.whl + pip3 install build/dist/abcpy-0.6.1-py3-none-any.whl ``wheel`` is required to install in this way.