Many of the causal discovery methods rely on the faithfulness assumption to guarantee asymptotic correctness. However, the assumption can be approximately violated in many ways, leading to sub-optimal solutions. Although there is a line of research in Bayesian network structure learning that focuses on weakening the assumption, such as exact search methods with well-defined score functions, they do not scale well to large graphs. In this work, we introduce several strategies to improve the scalability of exact score-based methods in the linear Gaussian setting. In particular, we develop a super-structure estimation method based on the support of inverse covariance matrix which requires assumptions that are strictly weaker than faithfulness, and apply it to restrict the search space of exact search. We also propose a local search strategy that performs exact search on the local clusters formed by each variable and its neighbors within two hops in the superstructure. Numerical experiments validate the efficacy of the proposed procedure, and demonstrate that it scales up to hundreds of nodes with a high accuracy.

Causal discovery has become a vital tool for scientists and practitioners wanting to discover causal relationships from observational data. While most previous approaches to causal discovery have implicitly assumed that no expert domain knowledge is available, practitioners can often provide such domain knowledge from prior experience. Recent work has incorporated domain knowledge into constraint-based causal discovery. The majority of such constraint-based methods, however, assume causal faithfulness, which has been shown to be frequently violated in practice. Consequently, there has been renewed attention towards exact-search score-based causal discovery methods, which do not assume causal faithfulness, such as A*-based methods. However, there has been no consideration of these methods in the context of domain knowledge. In this work, we focus on efficiently integrating several types of domain knowledge into A*-based causal discovery. In doing so, we discuss and explain how domain knowledge can reduce the graph search space and then provide an analysis of the potential computational gains. We support these findings with experiments on synthetic and real data, showing that even small amounts of domain knowledge can dramatically speed up A*-based causal discovery and improve its performance and practicality.

Applied researchers often construct a network from a random sample of nodes in order to infer properties of the parent network. Two of the most widely used sampling schemes are subgraph sampling, where we sample each vertex independently with probability $p$ and observe the subgraph induced by the sampled vertices, and neighborhood sampling, where we additionally observe the edges between the sampled vertices and their neighbors. In this paper, we study the problem of estimating the number of motifs as induced subgraphs under both models from a statistical perspective. We show that: for any connected $h$ on $k$ vertices, to estimate $s=\mathsf{s}(h,G)$, the number of copies of $h$ in the parent graph $G$ of maximum degree $d$, with a multiplicative error of $\epsilon$, (a) For subgraph sampling, the optimal sampling ratio $p$ is $\Theta_{k}(\max\{ (s\epsilon^2)^{-\frac{1}{k}}, \; \frac{d^{k-1}}{s\epsilon^{2}} \})$, achieved by Horvitz-Thompson type of estimators. (b) For neighborhood sampling, we propose a family of estimators, encompassing and outperforming the Horvitz-Thompson estimator and achieving the sampling ratio $O_{k}(\min\{ (\frac{d}{s\epsilon^2})^{\frac{1}{k-1}}, \; \sqrt{\frac{d^{k-2}}{s\epsilon^2}}\})$. This is shown to be optimal for all motifs with at most $4$ vertices and cliques of all sizes. The matching minimax lower bounds are established using certain algebraic properties of subgraph counts. These results quantify how much more informative neighborhood sampling is than subgraph sampling, as empirically verified by experiments on both synthetic and real-world data. We also address the issue of adaptation to the unknown maximum degree, and study specific problems for parent graphs with additional structures, e.g., trees or planar graphs.

Learning properties of large graphs from samples has been an important problem in statistical network analysis since the early work of Goodman \cite{Goodman1949} and Frank \cite{Frank1978}. We revisit a problem formulated by Frank \cite{Frank1978} of estimating the number of connected components in a large graph based on the subgraph sampling model, in which we randomly sample a subset of the vertices and observe the induced subgraph. The key question is whether accurate estimation is achievable in the \emph{sublinear} regime where only a vanishing fraction of the vertices are sampled. We show that it is impossible if the parent graph is allowed to contain high-degree vertices or long induced cycles. For the class of chordal graphs, where induced cycles of length four or above are forbidden, we characterize the optimal sample complexity within constant factors and construct linear-time estimators that provably achieve these bounds. This significantly expands the scope of previous results which have focused on unbiased estimators and special classes of graphs such as forests or cliques. Both the construction and the analysis of the proposed methodology rely on combinatorial properties of chordal graphs and identities of induced subgraph counts. They, in turn, also play a key role in proving minimax lower bounds based on construction of random instances of graphs with matching structures of small subgraphs.

In this paper, learning a Bayesian network structure that optimizes a scoring function for a given dataset is viewed as a shortest path problem in an implicit state-space search graph. This perspective highlights the importance of two research issues: the development of search strategies for solving the shortest path problem, and the design of heuristic functions for guiding the search. This paper introduces several techniques for addressing the issues. One is an A* search algorithm that learns an optimal Bayesian network structure by only searching the most promising part of the solution space. The others are mainly two heuristic functions. The first heuristic function represents a simple relaxation of the acyclicity constraint of a Bayesian network. Although admissible and consistent, the heuristic may introduce too much relaxation and result in a loose bound. The second heuristic function reduces the amount of relaxation by avoiding directed cycles within some groups of variables. Empirical results show that these methods constitute a promising approach to learning optimal Bayesian network structures.

Recently two search algorithms, A* and breadth-first branch and bound (BFBnB), were developed based on a simple admissible heuristic for learning Bayesian network structures that optimize a scoring function. The heuristic represents a relaxation of the learning problem such that each variable chooses optimal parents independently. As a result, the heuristic may contain many directed cycles and result in a loose bound. This paper introduces an improved admissible heuristic that tries to avoid directed cycles within small groups of variables. A sparse representation is also introduced to store only the unique optimal parent choices. Empirical results show that the new techniques significantly improved the efficiency and scalability of A* and BFBnB on most of datasets tested in this paper.

Previous work has shown that the problem of learning the optimal structure of a Bayesian network can be formulated as a shortest path finding problem in a graph and solved using A* search. In this paper, we improve the scalability of this approach by developing a memory-efficient heuristic search algorithm for learning the structure of a Bayesian network. Instead of using A*, we propose a frontier breadth-first branch and bound search that leverages the layered structure of the search graph of this problem so that no more than two layers of the graph, plus solution reconstruction information, need to be stored in memory at a time. To further improve scalability, the algorithm stores most of the graph in external memory, such as hard disk, when it does not fit in RAM. Experimental results show that the resulting algorithm solves significantly larger problems than the current state of the art.

We describe a memory-efficient implementation of a dynamic programming algorithm for learning the optimal structure of a Bayesian network from training data. The algorithm leverages the layered structure of the dynamic programming graphs representing the recursive decomposition of the problem to reduce the memory requirements of the algorithm from O(n2 n ) to O(C(n, n/2)), where C(n, n/2) is the binomial coefficient. Experimental results show that the approach runs up to an order of magnitude faster and scales to datasets with more variables than previous approaches.

This paper formulates learning optimal Bayesian network as a shortest path finding problem. An A* search algorithm is introduced to solve the problem. With the guidance of a consistent heuristic, the algorithm learns an optimal Bayesian networkby only searching the most promising parts of the solution space. Empirical results show that the A*search algorithm significantly improves the time and space efficiency of existing methods on a set of benchmark datasets.