Abstract Causal Bayesian Networks (CBNs) provide an important tool for reasoning under uncertainty with potential application to many complex causal systems. Structure learning algorithms that can tell us something about the causal structure of these systems are becoming increasingly important. In the literature, the validity of these algorithms is often tested for sensitivity over varying sample sizes, hyper-parameters, and occasionally objective functions, but the effect of the order in which the variables are read from data is rarely quantified. We show that many commonly-used algorithms, both established and state-of-the-art, are more sensitive to variable ordering than these other factors when learning CBNs from discrete variables. This effect is strongest in hill-climbing and its variants where we explain how it arises, but extends to hybrid, and to a lesser-extent, constraint-based algorithms. Because the variable ordering is arbitrary, any significant effect it has on learnt graph accuracy is concerning, and raises questions about the validity of both many older and more recent results produced by these algorithms in practical applications and their rankings in performance evaluations.

Abstract One of the challenges practitioners face when applying structure learning algorithms to their data involves determining a set of hyperparameters; otherwise, a set of hyperparameter defaults is assumed. The optimal hyperparameter configuration often depends on multiple factors, including the size and density of the usually unknown underlying true graph, the sample size of the input data, and the structure learning algorithm. We propose a novel hyperparameter tuning method, called the Out-of-sample Tuning for Structure Learning (OTSL), that employs out-of-sample and resampling strategies to estimate the optimal hyperparameter configuration for structure learning, given the input dataset and structure learning algorithm. Synthetic experiments show that employing OTSL to tune the hyperparameters of hybrid and score-based structure learning algorithms leads to improvements in graphical accuracy compared to the state-of-the-art. We also illustrate the applicability of this approach to real datasets from different disciplines.

Abstract In Bayesian Networks (BNs), the direction of edges is crucial for causal reasoning and inference. However, Markov equivalence class considerations mean it is not always possible to establish edge orientations, which is why many BN structure learning algorithms cannot orientate all edges from purely observational data. Moreover, latent confounders can lead to false positive edges. Relatively few methods have been proposed to address these issues. In this work, we present the hybrid mFGS-BS (majority rule and Fast Greedy equivalence Search with Bayesian Scoring) algorithm for structure learning from discrete data that involves an observational data set and one or more interventional data sets. The algorithm assumes causal insufficiency in the presence of latent variables and produces a Partial Ancestral Graph (PAG). Structure learning relies on a hybrid approach and a novel Bayesian scoring paradigm that calculates the posterior probability of each directed edge being added to the learnt graph. Experimental results based on well-known networks of up to 109 variables and 10 k sample size show that mFGS-BS improves structure learning accuracy relative to the state-of-the-art and it is computationally efficient.

Abstract Causal Bayesian networks have become a powerful technology for reasoning under uncertainty in areas that require transparency and explainability, by relying on causal assumptions that enable us to simulate hypothetical interventions. The graphical structure of such models can be estimated by structure learning algorithms, domain knowledge, or a combination of both. Various knowledge approaches have been proposed in the literature that enables us to specify prior knowledge that constrains or guides these algorithms. This paper introduces some novel, and also describes some existing, knowledge-based approaches that enable us to combine structure learning with knowledge obtained from heterogeneous sources. We investigate the impact of these approaches on structure learning across different algorithms, case studies and settings that we might encounter in practice. Each approach is assessed in terms of effectiveness and efficiency, including graphical accuracy, model fitting, complexity, and runtime; making this the first paper that provides a comparative evaluation of a wide range of knowledge approaches for structure learning. Because the value of knowledge depends on what data are available, we illustrate the results both with limited and big data. While the overall results show that knowledge becomes less important with big data due to higher learning accuracy rendering knowledge less important, some of the knowledge approaches are found to be more important with big data. Amongst the main conclusions is the observation that reduced search space obtained from knowledge does not always imply reduced computational complexity, perhaps because the relationships implied by the data and knowledge are in tension.

Some structure learning algorithms have proven to be effective in reconstructing hypothetical Bayesian Network graphs from synthetic data. However, in their mission to maximise a scoring function, many become conservative and minimise edges discovered. While simplicity is desired, the output is often a graph that consists of multiple independent subgraphs that do not enable full propagation of evidence. While this is not a problem in theory, it can be a problem in practice. This article examines a novel unconventional associational heuristic called Saiyan, which returns a directed acyclic graph that enables full propagation of evidence. Associational heuristics are not expected to perform well relative to sophisticated constraint-based and score-based learning approaches. Moreover, forcing the algorithm to connect all data variables implies that the forced edges will not be correct at the rate of those identified unrestrictedly. Still, synthetic and real-world experiments suggest that such a heuristic can be competitive relative to some of the well-established constraint-based, score-based and hybrid learning algorithms.