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MaxHalford/sorobn: 🧮 Bayesian networks in Python

MaxHalford/sorobn: 🧮 Bayesian networks in Python

10 hours ago

sorobn — Bayesian networks in Python

pypi

DALL·E 2023-03-17 09 21 56 - An oil painting by Matisse of a Bayesian network  Each node in the network is an abacus with red balls and a wooden frame

This is an unambitious Python library for working with Bayesian networks. For serious usage, you should probably be using a more established project, such as pomegranate, pgmpy, bnlearn (which is built on the latter), or even PyMC. There's also the well-documented bnlearn package in R. Hey, you could even go medieval and use something like Netica — I'm just jesting, they actually have a nice tutorial on Bayesian networks. By the way, if you're not familiar with Bayesian networks, then I highly recommend Patrick Winston's MIT courses on probabilistic inference (part 1, part 2).

The main goal of this project is to be used for educational purposes. As such, more emphasis is put on tidyness and conciseness than on performance. I find libraries such as pomegranate are wonderful. But, they literally contain several thousand lines of non-obvious code, at the detriment of simplicity and ease of comprehension. I've also put some effort into designing a slick API that makes full use of pandas. Although performance is not the main focus of this library, it is reasonably efficient and should be able to satisfy most use cases in a timely manner.

Table of contents

- ✍️ Manual structures - 🎲 Random sampling - 🔮 Probabilistic inference - 🕳️ Support for missing values - 🔎 Predicates and selectivity estimation - ❓ Empty data imputation - 🤷 Likelihood estimation - 🧮 Parameter estimation - 🪣 High-cardinality variables - 🔢 Support for continuous variables - 🧱 Structure learning - 🌳 Chow-Liu trees - 👀 Visualization - 👁️ Graphical user interface

Installation

You should be able to install and use this library with any Python version above 3.9:

pip install sorobn

Note that under the hood, sorobn uses vose for random sampling, which is written in Cython.

Usage

✍️ Manual structures

The central construct in sorobn is the BayesNet class. A Bayesian network's structure can be manually defined by instantiating a BayesNet. As an example, let's use Judea Pearl's famous alarm network:

>>> import sorobn

>>> bn = sorobn.BayesNet( ... ('Burglary', 'Alarm'), ... ('Earthquake', 'Alarm'), ... ('Alarm', 'John calls'), ... ('Alarm', 'Mary calls'), ... seed=42, ... )

You may also use the following notation, which is slightly more terse:

>>> import sorobn

>>> bn = sorobn.BayesNet( ... (['Burglary', 'Earthquake'], 'Alarm'), ... ('Alarm', ['John calls', 'Mary calls']), ... seed=42 ... )

In Judea Pearl's example, the conditional probability tables are given. Therefore, we can define them manually by setting the values of the P attribute. Each CPT is defined as a pd.DataFrame where each column is a variable and the p column contains the probabilities. The column names make the variable ordering explicit, so there's no ambiguity:

>>> import pandas as pd

P(Burglary)

>>> bn.P['Burglary'] = pd.Series({False: .999, True: .001})

P(Earthquake)

>>> bn.P['Earthquake'] = pd.Series({False: .998, True: .002})

P(Alarm | Burglary, Earthquake)

>>> bn.P['Alarm'] = pd.DataFrame({ ... 'Burglary': [True, True, True, True, False, False, False, False], ... 'Earthquake': [True, True, False, False, True, True, False, False], ... 'Alarm': [True, False, True, False, True, False, True, False], ... 'p': [.95, .05, .94, .06, .29, .71, .001, .999], ... })

P(John calls | Alarm)

>>> bn.P['John calls'] = pd.DataFrame({ ... 'Alarm': [True, True, False, False], ... 'John calls': [True, False, True, False], ... 'p': [.9, .1, .05, .95], ... })

P(Mary calls | Alarm)

>>> bn.P['Mary calls'] = pd.DataFrame({ ... 'Alarm': [True, True, False, False], ... 'Mary calls': [True, False, True, False], ... 'p': [.7, .3, .01, .99], ... })

You can also initialize DataFrames with a list of rows and explicit column names, which some may find more readable:

>>> bn.P['Alarm'] = pd.DataFrame(
...     [
...         [True,  True,  True,  .95],
...         [True,  True,  False, .05],
...         [True,  False, True,  .94],
...         [True,  False, False, .06],
...         [False, True,  True,  .29],
...         [False, True,  False, .71],
...         [False, False, True,  .001],
...         [False, False, False, .999],
...     ],
...     columns=['Burglary', 'Earthquake', 'Alarm', 'p'],
... )

The column order in the DataFrame doesn't matter — prepare() will reorder them to match the network structure. For root nodes (no parents), a simple pd.Series is sufficient.

The prepare method has to be called whenever the structure and/or the P are manually specified. This will do some house-keeping and make sure everything is sound. It is not compulsory but highly recommended, just like brushing your teeth.

>>> bn.prepare()

Note that you are allowed to specify variables that have no dependencies with any other variable:

>>> _ = sorobn.BayesNet(
...     ('Cloud', 'Rain'),
...     (['Rain', 'Cold'], 'Snow'),
...     'Wind speed'  # has no dependencies
... )

🎲 Random sampling

You can use a Bayesian network to generate random samples. The samples will follow the distribution induced by the network's structure and its conditional probability tables.

>>> from pprint import pprint

>>> pprint(bn.sample()) Burglary False Earthquake False Alarm False John calls False Mary calls False dtype: bool

>>> bn.sample(5) # doctest: +SKIP Alarm Burglary Earthquake John calls Mary calls 0 False False False False False 1 False False False False False 2 False False False False False 3 False False False False False 4 False False False True False

You can also specify starting values for a subset of the variables.

>>> pprint(bn.sample(init={'Alarm': True, 'Burglary': True}))
Burglary       True
Earthquake    False
Alarm          True
John calls     True
Mary calls     True
dtype: bool

The supported inference methods are:

Note that randomness is controlled via the seed parameter, when BayesNet is initialized.

🔮 Probabilistic inference

A Bayesian network is a generative model. Therefore, it can be used for many purposes. For instance, it can answer probabilistic queries, such as:

What is the likelihood of there being a burglary if both John and Mary call?

The distribution(*variables, given=...) method returns the joint probability distribution of the requested variables, conditioned on the supplied evidence: P(variables | given). Omit given for an unconditional distribution.

>>> bn.distribution('Burglary', given={'Mary calls': True, 'John calls': True})
Burglary
False    0.715828
True     0.284172
Name: P(Burglary), dtype: float64

We can also request a distribution over multiple variables, for instance:

What are the chances that John and Mary call if an earthquake happens?
>>> bn.distribution('John calls', 'Mary calls', given={'Earthquake': True})
John calls  Mary calls
False       False         0.675854
            True          0.027085
True        False         0.113591
            True          0.183470
Name: P(John calls, Mary calls), dtype: float64

By default, the answer is found via an exact inference procedure. For small networks this isn't very expensive to perform. However, for larger networks, you might want to prefer using approximate inference. The latter is a class of methods that randomly sample the network and return an estimate of the answer. The quality of the estimate increases with the number of iterations that are performed. For instance, you can use Gibbs sampling:

>>> bn.distribution(
...     'Burglary',
...     given={'Mary calls': True, 'John calls': True},
...     algorithm='gibbs',
...     n_iterations=1000
... )  # doctest: +SKIP
Burglary
False    0.706
True     0.294
Name: P(Burglary), dtype: float64

The supported inference methods are:

As with random sampling, randomness is controlled during BayesNet initialization, via the seed parameter.

🕳️ Support for missing values

Missingness is a first-class model state. At the API boundary, None, NaN, pd.NA, NaT, and sorobn.MISSING are all accepted. During fitting they are canonicalized to the collision-free singleton sorobn.MISSING, which is also what distributions and samples expose:

>>> observations = pd.DataFrame({'status': ['ok', None, pd.NA]})
>>> status_bn = sorobn.BayesNet('status').fit(observations)
>>> status_bn.distribution('status')
status
ok           0.333333
<MISSING>    0.666667
Name: P(status), dtype: float64
>>> status_bn.sample(init={'status': pd.NA})['status'] is sorobn.MISSING
True

Raw null values in event dictionaries select the missing state, so {'status': pd.NA} and {'status': sorobn.IsNull()} are equivalent. IsNull() and IsNotNull() are clearer in predicate expressions. Explicit comparisons retain SQL's three-valued logic, so Eq(None) and Eq(sorobn.MISSING) evaluate to unknown rather than selecting missing values:

>>> status_bn.probability({'status': sorobn.IsNull()})
0.6666666666666666
>>> status_bn.probability({'status': pd.NA})
0.6666666666666666
>>> status_bn.probability({'status': sorobn.IsNotNull()})
0.3333333333333333

An absent variable and an observed missing value are different. Omitting a key from evidence sums that variable out; including any accepted null scalar in a row passed to predict_proba() scores the MISSING state. Likewise, sample(init=...) treats a null initializer as the explicit missing state. Missing targets remain present in exact and approximate posterior distributions.

🔎 Predicates and selectivity estimation

probability(event, given=...) returns a scalar probability, whereas distribution(*variables, given=...) returns a posterior distribution as a pd.Series. Both accept predicates as well as ordinary values:

>>> movies = pd.DataFrame({
...     'title': ['Star Wars', 'Star Trek', 'Alien', None],
...     'year': [1977, 2009, 1979, 2000],
... })
>>> movie_bn = sorobn.BayesNet(('title', 'year')).fit(movies)

P(title LIKE 'Star%')

>>> movie_bn.probability({'title': sorobn.Like('Star%')}) 0.5

Dictionary entries are combined with AND.

>>> movie_bn.probability({'title': sorobn.Like('Star%'), 'year': sorobn.Ge(2000)}) 0.25

Conditional probability: P(year >= 2000 | title LIKE 'Star%').

>>> movie_bn.probability({'year': sorobn.Ge(2000)}, given={'title': sorobn.Like('Star%')}) 0.5

A posterior distribution over years, restricted by a title predicate.

>>> movie_bn.distribution('year', given={'title': sorobn.Glob('Star*')}) year 1977 0.5 2009 0.5 Name: P(year), dtype: float64

Convert filter selectivity into an estimated number of rows.

>>> len(movies) * movie_bn.probability({'title': sorobn.Like('Star%')}) 2.0

| Predicate | Meaning | | --- | --- | | Eq(value) or an ordinary value | Equality | | Ne(value) | Inequality | | Lt(value), Le(value), Gt(value), Ge(value) | Numeric or ordered comparisons | | Between(lower, upper) | Inclusive range | | In(values) | Membership | | Like('Star%') | SQL LIKE: % matches any string, _ matches one character | | Glob('Star*') | Full-string, case-sensitive glob matching | | Regex(r'^Star') | Python regular-expression search | | IsNull(), IsNotNull() | Missing and non-missing values |

Use &, |, and ~ for AND, OR, and NOT on the same variable:

>>> movie_bn.probability({'year': sorobn.Ge(1970) & sorobn.Lt(1980)})
0.5
>>> movie_bn.probability({'title': sorobn.Eq('Alien') | sorobn.Like('Star%')})
0.75
>>> movie_bn.probability({'title': ~sorobn.In(['Alien', 'Star Trek'])})
0.25
>>> movie_bn.probability({'title': sorobn.IsNull()})
0.25

❓ Empty data imputation

A use case for probabilistic inference is to impute missing values. The impute method accepts every missing representation listed above and fills each target with the most likely non-missing joint assignment, given the present information. It never chooses MISSING as a replacement; if a target has no non-missing state with positive probability, it raises a ValueError. A sample without missing values is returned unchanged. This is usually more accurate than simply replacing by the mean or the most common value. Additionally, such an approach can be much more efficient than model-based iterative imputation.

>>> sample = {
...     'Alarm': True,
...     'Burglary': True,
...     'Earthquake': False,
...     'John calls': None,  # missing
...     'Mary calls': None   # missing
... }

>>> sample = bn.impute(sample) >>> pprint(sample) Alarm True Burglary True Earthquake False John calls True Mary calls True dtype: bool

Note that the impute method can be seen as the equivalent of pomegranate's predict method.

🤷 Likelihood estimation

You can estimate the likelihood of an event with the predict_proba method:

>>> event = {
...     'Alarm': False,
...     'Burglary': False,
...     'Earthquake': False,
...     'John calls': False,
...     'Mary calls': False
... }

>>> bn.predict_proba(event) np.float64(0.936742...)

In other words, predict_proba computes P(event), whereas distribution computes P(variables | given). You may also estimate the likelihood for a partial event. The probabilities for the unobserved variables will be summed out.

>>> event = {'Alarm': True, 'Burglary': False}
>>> bn.predict_proba(event)
np.float64(0.001576...)

This also works for an event with a single variable:

>>> event = {'Alarm': False}
>>> bn.predict_proba(event)
np.float64(0.997483...)

Note that you can also pass a bunch of events to predict_proba, as so:

>>> events = pd.DataFrame([
...     {'Alarm': False, 'Burglary': False, 'Earthquake': False,
...      'John calls': False, 'Mary calls': False},
...
...     {'Alarm': False, 'Burglary': False, 'Earthquake': False,
...      'John calls': True, 'Mary calls': False},
...
...     {'Alarm': True, 'Burglary': True, 'Earthquake': True,
...      'John calls': True, 'Mary calls': True}
... ])

>>> bn.predict_proba(events) Alarm Burglary Earthquake John calls Mary calls False False False False False 0.936743 True False 0.049302 True True True True True 0.000001 Name: P(Alarm, Burglary, Earthquake, John calls, Mary calls), dtype: float64

🧮 Parameter estimation

You can determine the values of the P from a dataset. This is a straightforward procedure, as it only requires performing a groupby followed by a value_counts for each CPT.

>>> samples = bn.sample(1000)
>>> bn = bn.fit(samples)

Note that in this case you do not have to call the prepare method because it is done for you implicitly.

If you want to update an already existing Bayesian networks with new observations, then you can use partial_fit:

>>> bn = bn.partial_fit(samples[:500])
>>> bn = bn.partial_fit(samples[500:])

For ordinary discrete variables, the same result is obtained whether you use fit once or partial_fit multiple times. Learned transformations are frozen after the first batch so that accumulated counts retain a stable meaning; the sections below describe this in more detail.

🪣 High-cardinality variables

In order to save space, rare categorical values can be grouped into a sorobn.OTHER state. This happens before the conditional probability tables are computed. Configure a Compactor for each variable where you wish to apply compaction:

>>> observations = pd.DataFrame({
...     'city': ['Paris', 'Paris', 'Paris', 'London', 'London', 'Lyon', 'Nice'],
...     'bought': [True, True, False, False, True, True, False],
... })
>>> city_bn = sorobn.BayesNet(
...     ('city', 'bought'),
...     compactors={
...         'city': sorobn.Compactor(max_categories=3),
...     },
... ).fit(observations)
>>> city_bn.compactors['city'].frequent_values_
('Paris', 'London')
>>> city_bn.distribution('city')
city
Paris      0.428571
London     0.285714
<OTHER>    0.285714
Name: P(city), dtype: float64

max_categories includes OTHER, so the example retains the two most frequent values and uses its third state for everything else. Frequency ties are resolved by first appearance. Alternatively, retain every value above an absolute count or a fraction of all observations:

>>> sorobn.Compactor(min_frequency=10)   # At least 10 occurrences
Compactor(min_frequency=10)
>>> sorobn.Compactor(min_frequency=0.01) # At least 1% of rows
Compactor(min_frequency=0.01)

Null values are kept separate from OTHER. They can therefore add one state beyond max_categories. Querying sorobn.OTHER selects the aggregate bucket. A query against original bucket members divides that aggregate probability according to the configured disaggregation rule:

| Configuration | Probability assigned within OTHER | | --- | --- | | disaggregation='uniform' | Equal share for every distinct member (the default) | | disaggregation='empirical' | Proportional to each member's observed count | | disaggregation='dirichlet', alpha=1 | Posterior mean under a symmetric Dirichlet prior |

For the example above, OTHER contains Lyon twice and Nice once. Uniform disaggregation assigns each city half of the bucket probability; empirical disaggregation assigns them two thirds and one third. Dirichlet disaggregation uses (count + alpha) / (total_count + alpha * n_members), interpolating between those results. Larger alpha pulls the shares toward uniform.

The rule applies to arbitrary predicates: an In, pattern, ordering, or combined predicate receives the total share of the known bucket members it matches. A value never observed during fitting is not a known member and has zero exact probability. Conditioning on an individual bucket member produces the same posterior as conditioning on OTHER, because the disaggregation factor appears in both numerator and denominator and cancels. The model cannot recover conditional differences between values after grouping them.

sample() emits sorobn.OTHER and returns compacted columns as pandas categoricals. fit() relearns frequency groups and member counts from the full supplied dataset. partial_fit() learns the groups from its first batch and freezes them thereafter, while continuing to track counts for values mapped to OTHER.

🔢 Support for continuous variables

Continuous variables are supported through discretization. Configure a Discretizer per numeric variable, then fit the network on raw data. Boolean and pandas categorical columns are rejected even when their category labels are numbers. The network learns ordinary discrete tables over pandas interval categories.

| Configuration | Bin scheme | | --- | --- | | Discretizer(n_bins=10, strategy='uniform') | Equal-width bins between the observed minimum and maximum | | Discretizer(n_bins=10, strategy='quantile') | Approximately equal-frequency bins (the default) | | Discretizer(edges=[0, 10, 50, 100]) | Explicit edges; three bins in this example |

Quantile binning removes duplicate edges, so repeated values can produce fewer than n_bins bins. Explicit edges must be finite, strictly increasing, and cover the data. Bins include their left endpoint; the final bin also includes its right endpoint.

>>> from sorobn import Discretizer

>>> measurements = pd.DataFrame({'amount': [0., 5., 10., 20.]}) >>> amount_bn = sorobn.BayesNet( ... 'amount', ... discretizers={'amount': Discretizer(n_bins=2, strategy='uniform')}, ... ).fit(measurements) >>> amount_bn.discretizers['amount'].edges_.tolist() [0.0, 10.0, 20.0]

Transformed columns use pandas' native ordered CategoricalDtype.

>>> binned_amount = amount_bn.discretizers['amount'].transform(measurements['amount']) >>> binned_amount.cat.ordered True >>> binned_amount.cat.categories.tolist() [Interval(0.0, 10.0, closed='left'), Interval(10.0, 20.0, closed='both'), <MISSING>] >>> binned_amount.cat.codes.tolist() [0, 0, 1, 1] >>> amount_bn.distribution('amount') amount [0.0, 10.0) 0.5 [10.0, 20.0] 0.5 Name: P(amount), dtype: float64

The interval covers half of each bin, selecting half the total mass.

>>> amount_bn.probability({'amount': sorobn.Between(5, 15)}) 0.5 >>> amount_bn.probability({'amount': sorobn.Lt(5)}) 0.25

Intersect constraints before interpolating, including target and evidence.

>>> amount_bn.probability( ... {'amount': sorobn.Between(2, 8)}, given={'amount': sorobn.Between(0, 5)} ... ) 0.6

Range queries assume uniform density within each bin, equivalent to linear interpolation of the cumulative distribution. A range cutting through a bin contributes the fraction of its width covered. These fractional weights are applied once per variable during discrete inference. The approximation does not recover variation or dependencies within a bin.

Equality to one continuous value has zero probability under this model, except for a column fitted as a constant point mass. For numeric categories such as years or IDs, leave the variable discrete when equality frequencies matter. Nulls remain separate from numeric bins. Queries outside the fitted range have zero mass there.

Each transformed non-missing cell contains a native pd.Interval value, exposing its .left, .right, and .closed properties. Pandas stores these intervals once in .cat.categories and uses compact integer codes per row. Empty bins remain in the categories, and MISSING is an explicit category rather than pandas' implicit missing code -1.

distribution() returns probabilities indexed by interval categories for discretized targets, and sample() returns interval values, with categorical columns when returning a DataFrame. probability() interprets predicates in the original numeric units. Supplied discretizers and training data are copied. fit() relearns bin boundaries; partial_fit() fixes them after the first batch and rejects out-of-range values. Use explicit edges when the domain is known in advance.

🧱 Structure learning

🌳 Chow-Liu trees

A Chow-Liu tree is a tree structure that represents a factorised distribution with maximal likelihood. It's essentially the best tree structure that can be found.

>>> samples = sorobn.examples.asia().sample(300)
>>> structure = sorobn.structure.chow_liu(samples)
>>> bn = sorobn.BayesNet(*structure)

For continuous columns, discretize a copy of the data before learning the structure. Then fit the network on the original raw data, passing the same discretization schemes. Here is a complete example:

>>> import pandas as pd
>>> import sorobn

Keep the observations in their original units.

>>> observations = pd.DataFrame({ ... 'amount': [0., 1., 9., 10.], ... 'kind': ['small', 'small', 'large', 'large'], ... }) >>> schemes = {'amount': sorobn.Discretizer(n_bins=2, strategy='quantile')}

Structure learning operates on discrete states, including interval categories.

>>> binned = observations.copy() >>> for column, scheme in schemes.items(): ... binned[column] = scheme.fit_transform(observations[column]) >>> edges = sorobn.structure.chow_liu(binned, root='kind') >>> edges [('kind', 'amount')]

Parameter fitting takes RAW data: BayesNet applies the schemes itself.

>>> learned_bn = sorobn.BayesNet(*edges, discretizers=schemes).fit(observations)

Predicates still use the original numeric units.

>>> learned_bn.probability({'amount': sorobn.Lt(5)}, given={'kind': 'small'}) 1.0

chow_liu only sees discrete data; it does not fit discretizers. BayesNet.fit refits copies of the supplied schemes. Using the same schemes and the same raw training data produces the same boundaries deterministically. Pass raw observations to BayesNet.fit. Already transformed interval categories cannot be discretized again.

To choose fixed boundaries explicitly, use sorobn.Discretizer(edges=[...]) in schemes. The rest of the workflow is unchanged. Columns absent from schemes stay discrete. More bins retain more numeric detail but increase the size of the conditional probability tables.

👀 Visualization

You can use the graphviz method to obtain a graphviz.Digraph representation.

>>> bn = sorobn.examples.asia()
>>> dot = bn.graphviz()
>>> path = dot.render('asia', directory='figures', format='svg', cleanup=True)



Note that the graphviz library is not installed by default because it requires a platform dependent binary. Therefore, you have to install it by yourself.

👁️ Graphical user interface

A side-goal of this project is to provide a user interface to play around with a given user interface. Fortunately, we live in wonderful times where many powerful and opensource tools are available. At the moment, I have a preference for streamlit.

You can install the GUI dependencies by running the following command:

$ pip install git+https://github.com/MaxHalford/sorobn --install-option="--extras-require=gui"

You can then launch a demo by running the sorobn command:

$ sorobn

This will launch a streamlit interface where you can play around with the examples that sorobn provides. You can see a running instance of it in this Streamlit app.

An obvious next step would be to allow users to run this with their own Bayesian networks. Then again, using streamlit is so easy that you might as well do this yourself.

Toy networks

Several toy networks are available to fool around with in the examples submodule:

Here is some example usage:
>>> bn = sorobn.examples.sprinkler()

>>> bn.nodes ['Cloudy', 'Rain', 'Sprinkler', 'Wet grass']

>>> pprint(bn.parents) {'Rain': ['Cloudy'], 'Sprinkler': ['Cloudy'], 'Wet grass': ['Rain', 'Sprinkler']}

>>> pprint(bn.children) {'Cloudy': ['Rain', 'Sprinkler'], 'Rain': ['Wet grass'], 'Sprinkler': ['Wet grass']}

Development

# Download and navigate to the source code
git clone https://github.com/MaxHalford/sorobn
cd sorobn

Install uv

curl -LsSf https://astral.sh/uv/install.sh | sh

Install in development mode

uv sync

Run tests

uv run pytest

License

The MIT License (MIT). Please see the license file for more information.

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