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Stable Causal Discovery via Directed Acyclic Graph Aggregation

arXiv.org Machine Learning

Directed Acyclic Graphs (DAGs) are central to uncovering causal structure in complex systems, yet learning a single DAG from data is often challenging: model uncertainty, finite samples, and a combinatorially large search space frequently yield unstable estimates. We propose DAGgr, a model averaging framework that aggregates multiple candidate DAGs into a single stable representation. Candidate graphs are weighted by their out-of-sample predictive likelihood across repeated data splits, and a thresholding rule on the resulting edge-importance scores guarantees that the aggregated graph is itself acyclic. We establish a finite-sample risk bound, prove that the procedure preserves acyclicity, and show that edge selection is consistent under mild conditions on the weights. Simulations across random, hub, and chain structures, together with an analysis of the Sachs et al. (2005) protein-signaling network, show that DAGgr matches or exceeds the best individual candidate while consistently outperforming bootstrap-aggregation baselines across structural recovery metrics.


From global to local MDI variable importances for random forests and when they are Shapley values

Neural Information Processing Systems

Random forests have been widely used for their ability to provide so-called importance measures, which give insight at a global (per dataset) level on the relevance of input variables to predict a certain output. On the other hand, methods based on Shapley values have been introduced to refine the analysis of feature relevance in tree-based models to a local (per instance) level. In this context, we first show that the global Mean Decrease of Impurity (MDI) variable importance scores correspond to Shapley values under some conditions. Then, we derive a local MDI importance measure of variable relevance, which has a very natural connection with the global MDI measure and can be related to a new notion of local feature relevance. We further link local MDI importances with Shapley values and discuss them in the light of related measures from the literature. The measures are illustrated through experiments on several classification problems.



Explainable cluster analysis: a bagging approach

arXiv.org Machine Learning

A major limitation of clustering approaches is their lack of explainability: methods rarely provide insight into which features drive the grouping of similar observations. To address this limitation, we propose an ensemble-based clustering framework that integrates bagging and feature dropout to generate feature importance scores, in analogy with feature importance mechanisms in supervised random forests. By leveraging multiple bootstrap resampling schemes and aggregating the resulting partitions, the method improves stability and robustness of the cluster definition, particularly in small-sample or noisy settings. Feature importance is assessed through an information-theoretic approach: at each step, the mutual information between each feature and the estimated cluster labels is computed and weighted by a measure of clustering validity to emphasize well-formed partitions, before being aggregated into a final score. The method outputs both a consensus partition and a corresponding measure of feature importance, enabling a unified interpretation of clustering structure and variable relevance. Its effectiveness is demonstrated on multiple simulated and real-world datasets.



Quantifying and Attributing Submodel Uncertainty in Stochastic Simulation Models and Digital Twins

arXiv.org Machine Learning

Stochastic simulation is widely used to study complex systems composed of various interconnected subprocesses, such as input processes, routing and control logic, optimization routines, and data-driven decision modules. In practice, these subprocesses may be inherently unknown or too computationally intensive to directly embed in the simulation model. Replacing these elements with estimated or learned approximations introduces a form of epistemic uncertainty that we refer to as submodel uncertainty. This paper investigates how submodel uncertainty affects the estimation of system performance metrics. We develop a framework for quantifying submodel uncertainty in stochastic simulation models and extend the framework to digital-twin settings, where simulation experiments are repeatedly conducted with the model initialized from observed system states. Building on approaches from input uncertainty analysis, we leverage bootstrapping and Bayesian model averaging to construct quantile-based confidence or credible intervals for key performance indicators. We propose a tree-based method that decomposes total output variability and attributes uncertainty to individual submodels in the form of importance scores. The proposed framework is model-agnostic and accommodates both parametric and nonparametric submodels under frequentist and Bayesian modeling paradigms. A synthetic numerical experiment and a more realistic digital-twin simulation of a contact center illustrate the importance of understanding how and how much individual submodels contribute to overall uncertainty.