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Exact Graph Learning via Integer Programming

Lucas Kook, Søren Wengel Mogensen

TL;DR

GLIP presents an exact, nonparametric graph-learning framework that casts conditional-independence based structure learning as a mixed-integer linear program, enabling globally optimal recovery of DAGs, ADMGs, DMGs and chain graphs. A key innovation is a minimal-length encoding of graphical separations that dramatically reduces the number of variables while preserving correctness, allowing exact learning on larger graphs than prior exact methods. The approach yields representations of Markov (or weak) equivalence classes and provides provable guarantees of optimality, with an Open R implementation in glip. Empirically, GLIP demonstrates strong performance relative to exact ASP methods and competitive results against state-of-the-art approximate methods across simulated and benchmark data, while offering practical warmstart strategies for larger problems. The work broadens exact causal discovery to richer graph classes and offers practical tools for nonparametric causal inference in complex systems.

Abstract

Learning the dependence structure among variables in complex systems is a central problem across medical, natural, and social sciences. These structures can be naturally represented by graphs, and the task of inferring such graphs from data is known as graph learning or as causal discovery if the graphs are given a causal interpretation. Existing approaches typically rely on restrictive assumptions about the data-generating process, employ greedy oracle algorithms, or solve approximate formulations of the graph learning problem. As a result, they are either sensitive to violations of central assumptions or fail to guarantee globally optimal solutions. We address these limitations by introducing a nonparametric graph learning framework based on nonparametric conditional independence testing and integer programming. We reformulate the graph learning problem as an integer-programming problem and prove that solving the integer-programming problem provides a globally optimal solution to the original graph learning problem. Our method leverages efficient encodings of graphical separation criteria, enabling the exact recovery of larger graphs than was previously feasible. We provide an implementation in the openly available R package 'glip' which supports learning (acyclic) directed (mixed) graphs and chain graphs. From the resulting output one can compute representations of the corresponding Markov equivalence classes or weak equivalence classes. Empirically, we demonstrate that our approach is faster than other existing exact graph learning procedures for a large fraction of instances and graphs of various sizes. GLIP also achieves state-of-the-art performance on simulated data and benchmark datasets across all aforementioned classes of graphs.

Exact Graph Learning via Integer Programming

TL;DR

GLIP presents an exact, nonparametric graph-learning framework that casts conditional-independence based structure learning as a mixed-integer linear program, enabling globally optimal recovery of DAGs, ADMGs, DMGs and chain graphs. A key innovation is a minimal-length encoding of graphical separations that dramatically reduces the number of variables while preserving correctness, allowing exact learning on larger graphs than prior exact methods. The approach yields representations of Markov (or weak) equivalence classes and provides provable guarantees of optimality, with an Open R implementation in glip. Empirically, GLIP demonstrates strong performance relative to exact ASP methods and competitive results against state-of-the-art approximate methods across simulated and benchmark data, while offering practical warmstart strategies for larger problems. The work broadens exact causal discovery to richer graph classes and offers practical tools for nonparametric causal inference in complex systems.

Abstract

Learning the dependence structure among variables in complex systems is a central problem across medical, natural, and social sciences. These structures can be naturally represented by graphs, and the task of inferring such graphs from data is known as graph learning or as causal discovery if the graphs are given a causal interpretation. Existing approaches typically rely on restrictive assumptions about the data-generating process, employ greedy oracle algorithms, or solve approximate formulations of the graph learning problem. As a result, they are either sensitive to violations of central assumptions or fail to guarantee globally optimal solutions. We address these limitations by introducing a nonparametric graph learning framework based on nonparametric conditional independence testing and integer programming. We reformulate the graph learning problem as an integer-programming problem and prove that solving the integer-programming problem provides a globally optimal solution to the original graph learning problem. Our method leverages efficient encodings of graphical separation criteria, enabling the exact recovery of larger graphs than was previously feasible. We provide an implementation in the openly available R package 'glip' which supports learning (acyclic) directed (mixed) graphs and chain graphs. From the resulting output one can compute representations of the corresponding Markov equivalence classes or weak equivalence classes. Empirically, we demonstrate that our approach is faster than other existing exact graph learning procedures for a large fraction of instances and graphs of various sizes. GLIP also achieves state-of-the-art performance on simulated data and benchmark datasets across all aforementioned classes of graphs.
Paper Structure (78 sections, 20 theorems, 39 equations, 16 figures, 7 tables, 1 algorithm)

This paper contains 78 sections, 20 theorems, 39 equations, 16 figures, 7 tables, 1 algorithm.

Key Result

Theorem 1

Let $G = ([d],E)$ be a directed mixed graph, and let $i,j\in [d]$, $C\subseteq [d] \setminus \{i,j\}$. If there is an $m$-connecting walk between $i$ and $j$ given $C$, then there is an $m_c$-connecting walk between $i$ and $j$ given $C$ of length at most $\tilde{n}$.

Figures (16)

  • Figure 1: PAGs summarize the Markov equivalence class (MEC) of ADMGs by placing a tail or an arrow head if and only if all members of the MEC agree on this tail or arrow head, respectively. If there exist two ADMGs that disagree on an edge mark, a circle edge mark is used in the PAG instead. Heads and tails are defined in Section \ref{['sssec:dcsep']}. See Example \ref{['ex:oracle']}.
  • Figure 2: See Example \ref{['exmp:minlength']}.
  • Figure 3: Hasse diagram of classes of graphs. A line between classes of graphs indicates that the lower class is a subclass of the upper class. DMG: Directed mixed graph, ADMG: Acyclic directed mixed graph, DG: Directed graph, DAG: Directed acyclic graph, CG: Chain graph, HG: Hybrid graph. The hybrid graphs are only used as a convenient superclass of chain graphs, and we do not consider hybrid graph learning in this paper.
  • Figure 4: Example graphs: $D$ is a DAG, and $G$ is an ADMG. ADMGs may be constructed as so-called latent projections of DAGs verma1991equivalencerichardson2023nested: $G$ is a latent projection of $D$, and therefore $A\perp\!\!\!\perp_m B \mid C\ [D] \iff A\perp\!\!\!\perp_m B \mid C\ [G]$ for all disjoint $A,B,C \subseteq \{1,2,3,4,5\}$. In this sense, $G$ is a graphical marginal of $D$. See also Example \ref{['ex:graphs']}.
  • Figure 5: Illustration of minimal-length rules and Constraints \ref{['tag:L2a']} and \ref{['tag:L4']}, see Example \ref{['ex:constraints']}.
  • ...and 11 more figures

Theorems & Definitions (37)

  • Example 1: Exact and greedy approaches to graph learning
  • Example 2: Minimal-length encoding
  • Definition 1: Directed mixed graph
  • Definition 2: Directed graph
  • Definition 3: Acyclic directed mixed graph
  • Definition 4: Directed acyclic graph
  • Definition 5: Hybrid graph
  • Definition 6: Chain graph
  • Definition 7: $m$-connecting walk
  • Definition 8: $m$-separation
  • ...and 27 more