Bayesian structure learning with generative flow networks
Tristan Deleu, António Góis, Chris Emezue, Mansi Rankawat, Simon Lacoste-Julien, Stefan Bauer, Yoshua Bengio
Abstract
In Bayesian structure learning, we are interested in inferring a distribution over the directed acyclic graph (DAG) structure of Bayesian networks, from data. Defining such a distribution is very challenging, due to the combinatorially large sample space, and approximations based on MCMC are often required. Recently, a novel class of probabilistic models, called Generative Flow Networks (GFlowNets), have been introduced as a general framework for generative modeling of discrete and composite objects, such as graphs. In this work, we propose to use a GFlowNet as an alternative to MCMC for approximating the posterior distribution over the structure of Bayesian networks, given a dataset of observations. Generating a sample DAG from this approximate distribution is viewed as a sequential decision problem, where the graph is constructed one edge at a time, based on learned transition probabilities. Through evaluation on both simulated and real data, we show that our approach, called DAG-GFlowNet, provides an accurate approximation of the posterior over DAGs, and it compares favorably against other methods based on MCMC or variational inference.
BibTeX
@InProceedings{pmlr-v180-deleu22a,
title = {Bayesian structure learning with generative flow networks},
author = {Deleu, Tristan and G\'{o}is, Ant\'{o}nio and Emezue, Chris and Rankawat, Mansi and Lacoste-Julien, Simon and Bauer, Stefan and Bengio, Yoshua},
booktitle = {Proceedings of the Thirty-Eighth Conference on Uncertainty in Artificial Intelligence},
pages = {518--528},
year = {2022},
editor = {Cussens, James and Zhang, Kun},
volume = {180},
series = {Proceedings of Machine Learning Research},
month = {01--05 Aug},
publisher = {PMLR},
pdf = {https://proceedings.mlr.press/v180/deleu22a/deleu22a.pdf},
url = {https://proceedings.mlr.press/v180/deleu22a.html},
abstract = {In Bayesian structure learning, we are interested in inferring a distribution over the directed acyclic graph (DAG) structure of Bayesian networks, from data. Defining such a distribution is very challenging, due to the combinatorially large sample space, and approximations based on MCMC are often required. Recently, a novel class of probabilistic models, called Generative Flow Networks (GFlowNets), have been introduced as a general framework for generative modeling of discrete and composite objects, such as graphs. In this work, we propose to use a GFlowNet as an alternative to MCMC for approximating the posterior distribution over the structure of Bayesian networks, given a dataset of observations. Generating a sample DAG from this approximate distribution is viewed as a sequential decision problem, where the graph is constructed one edge at a time, based on learned transition probabilities. Through evaluation on both simulated and real data, we show that our approach, called DAG-GFlowNet, provides an accurate approximation of the posterior over DAGs, and it compares favorably against other methods based on MCMC or variational inference.}
}