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Decoding Causal Structure: End-to-End Mediation Pathways Inference

Neural Information Processing Systems

Causal mediation analysis is crucial for deconstructing complex mechanisms of action. However, in current mediation analysis, complex structures derived from causal discovery lack direct interpretation of mediation pathways, while traditional mediation analysis and effect estimation are limited by the reliance on pre-specified pathways, leading to a disconnection between structure discovery and causal mechanism understanding. Therefore, a unified framework integrating structure discovery, pathway identification, and effect estimation systematically quantifies mediation pathways under structural uncertainty, enabling automated identification and inference of mediation pathways. To this end, we propose Structure-Informed Guided Mediation Analysis (SIGMA), which guides automated mediation pathway identification through probabilistic causal structure discovery and uncertainty quantification, enabling end-to-end propagation of structural uncertainty from structure learning to effect estimation. Specifically, SIGMA employs differentiable Flow-Structural Equation Models to learn structural posteriors, generating diverse Directed Acyclic Graphs (DAGs) to quantify structural uncertainty. Based on these DAGs, we introduce the Path Stability Score to evaluate the marginal probability of pathways, identifying high-confidence mediation paths. For identified mediation pathways, we integrate Efficient Influence Functions with Bayesian model averaging to fuse within-structure estimation uncertainty and between-structure effect variation, propagating uncertainty to the final effect estimates. In synthetic data experiments, SIGMA achieves state-of-the-art performance in pathway identification accuracy and effect quantification precision under structural uncertainty, concurrent multiple pathways, and nonlinear scenarios. In real-world applications using Human Phenotype Project data, SIGMA identifies mediation effects of sleep quality on cardiovascular health through inflammatory and metabolic pathways, uncovering previously unspecified multiple mediation paths.


Median Selection with Noisy and Structural Information

Neural Information Processing Systems

We study the problem of computing the exact median by leveraging side information to minimize costly, exact comparisons. We analyze this problem in two key settings: (1) using predictions from unreliable "weak" oracles, and (2) exploiting known structural information in the form of a partial order. In the classical setting, we introduce a modified LazySelect algorithm that combines weak comparisons with occasional strong comparisons through majority voting. We show that this hybrid strategy has near-linear running time and can achieve high-probability correctness using only sublinear strong comparisons, even when the weak oracle is only slightly better than random guessing. Our theoretical results hold under the persistent comparison model, where resampling will not amplify the probability of correctness. In the partially ordered setting, we generalize the notion of median to directed acyclic graphs (DAGs) and show that the complexity of median selection depends heavily on the DAG's width. We complement our analysis with extensive experiments on synthetic data.


Heterogeneous Swarms: Jointly Optimizing Model Roles and Weights for Multi-LLM Systems

Neural Information Processing Systems

We propose Heterogeneous Swarms, an algorithm to design multi-LLM systems by jointly optimizing model roles and weights. We represent multi-LLM systems as directed acyclic graphs (DAGs) of LLMs with topological message passing for collaborative generation. Given a pool of LLM experts and a utility function, Heterogeneous Swarms employs two iterative steps: role-step and weight-step. For role-step, we interpret model roles as learning a DAG that specifies the flow of inputs and outputs between LLMs. Starting from a swarm of random continuous adjacency matrices, we decode them into discrete DAGs, call the LLMs in topological order, evaluate on the utility function (e.g.


pLSTM: parallelizable Linear Source Transition Mark networks

Neural Information Processing Systems

Modern recurrent architectures, such as xLSTM and Mamba, have recently challenged the Transformer in language modeling. However, their structure constrains their applicability to sequences only or requires processing multi-dimensional data structures, such as images or molecular graphs, in a pre-defined sequential order. In contrast, Multi-Dimensional RNNs (MDRNNs) are well suited for data with a higher level structure, like 2D grids, trees, and directed acyclic graphs (DAGs). In this work, we extend the notion of multi-dimensionality to linear RNNs. We introduce parallelizable Linear Source Transition Mark networks (pLSTMs) using Source, Transition, and Mark gates that act on the linegraph of a general DAG. This enables parallelization in analogy to parallel associative scans and the chunkwise-recurrent form of sequential linear RNNs, but for DAGs. For regular grids (1D and 2D), like images, this scheme can be efficiently implemented using einsum operations, concatenations, and padding in logarithmic time.


Iterative Causal Discovery: Per-Edge Impossibility Certificates, Tier-Aware Oracle Queries, and the $1+K$ Lower Bound

arXiv.org Machine Learning

Causal-discovery algorithms return a directed graph, yet provide no principled means of distinguishing edge directions identified by the data from those assigned without an identifying assumption. Under the standard Markov and faithfulness conditions, the observational distribution identifies only a Markov equivalence class; orientations within that class are not determined by the joint distribution and cannot be recovered from additional samples alone, but require either a functional restriction or an intervention. We introduce a protocol for observational causal discovery on continuous data that attaches to each candidate edge a discrete impossibility certificate: a RESOLVED code records the identifiability theorem under which the direction was committed, while an IMPOSSIBLE code records the failure mode together with the specific question a domain expert must answer to resolve it. The bivariate cascade is extended with five gated identifiability tiers LSNM, IGCI, Stein, MDL, and PEIT that abstain when their precondition test rejects. Two oracle primitives, the meta-hub query and the node-children query, jointly establish an upper bound of $1+K$ expert interactions sufficient to recover any DAG, where $K$ denotes the number of non-leaf vertices. Under an ideal-oracle assumption, the bound is met exactly on the asia, sachs, child, and alarm benchmarks.


Concomitant DAG Learning: On the Roles of Noise Adaptivity, Sparsity, and Non-negativity

arXiv.org Machine Learning

Directed acyclic graphs (DAGs) constitute a central modeling tool to enable principled reasoning about cause-effect interactions in complex systems. However, since the causal structure underlying a group of variables is often unknown and interventions may be infeasible or ethically challenging to implement, there is a need to address the task of inferring DAGs from observational data. However, most classical structure identification approaches face two key obstacles: the combinatorial challenge of enforcing acyclicity, which severely limits scalability, and identifiability challenges arising from latent confounding or heterogeneous noise. This tutorial offers an overview of recent signal processing and optimization advances that address these issues by recasting DAG structure learning as a continuous, score-based estimation problem over adjacency matrices. We begin with a didactic introduction to structural equation models and the formulation of causal graph recovery, followed by a historical survey of score-based methods ranging from early combinatorial search schemes and greedy heuristics to modern continuous frameworks that leverage smooth characterizations of acyclicity. Building on this foundation, we describe concomitant DAG estimation methods that jointly infer sparse causal structure and exogenous noise levels, improving robustness under heteroscedasticity and distribution shifts by rendering the estimator noise adaptive. All in all, the tutorial introduces readers to challenges and opportunities for signal processing research at the crossroads of causal inference, high-dimensional statistics, and scalable graph learning, while outlining emerging directions including online, nonlinear, and neural causal discovery.


A Unified Framework for Structure-Aware Clustering and Heterogeneous Causal Graph Learning

arXiv.org Machine Learning

In complex multivariate systems, interactions among variables are defined by dependency structures, often encoded as directed acyclic graphs ($\text{DAGs}$). However, dependency structures can vary across subjects, and ignoring this structural heterogeneity introduces bias and obscures subpopulation-specific dependencies. To address this, we propose Directed Acyclic Graph-based Dependency Clustering via Alternating Direction Method of Multipliers (DAG-DC-ADMM), a unified framework built upon Structural Equation Modeling (SEM) that jointly learns cluster assignments and cluster-specific dependency structures. We encode acyclicity via a smooth constraint and integrate a groupwise truncated Lasso fusion penalty (gTLP) to cluster subjects based on their structural similarity. This yields a nonconvex optimization problem that incorporates sparsity, acyclicity, and structural consensus constraints. We address the nonconvexity by using the augmented Lagrangian method and solve it with an adapted version of the Alternating Direction Method of Multipliers (ADMM) for difference-of-convex programs. For certain graph structures, such as upper triangular adjacency matrices, our algorithm is guaranteed to converge to a Karush-Kuhn-Tucker (KKT) point. Experiments demonstrate that our method recovers cluster-specific causal dependency structures with a high true positive rate and a low false discovery rate. This capability enables the robust discovery of heterogeneous dependencies across subjects where the subpopulation label is unknown.


Leveraging heterogeneity for identifiability: Bayesian order-based learning of multiple DAGs

arXiv.org Machine Learning

We propose a joint order-based scoring framework for causal structure learning of directed acyclic graph (DAG) models under heterogeneous data settings. We show that leveraging heterogeneity improves the accuracy of causal ordering estimation. In the most favorable case, the causal ordering is identifiable up to two permutations. Building on this framework, we propose an order-based Bayesian method for Gaussian DAG models and establish its theoretical properties in the high-dimensional regime. For posterior inference over the space of orderings, we introduce a random-to-random (R2R) proposal neighborhood for the Metropolis-Hastings algorithm, which is theoretically motivated and exhibits efficient mixing behavior. Simulation studies confirm the strong empirical performance of the proposed method, and an application to single-nucleus RNA sequencing data from major depressive disorder demonstrates practical utility.


Heterogeneous Ordinal Structure Learning with Bayesian Nonparametric Complexity Discovery

arXiv.org Machine Learning

Public attitudes toward artificial intelligence are heterogeneous, ordinally measured, and poorly captured by any single dependency graph. Existing ordinal structure learners assume a shared directed acyclic graph (DAG) across all respondents; recent heterogeneous ordinal graphical-model approaches focus on subgroup discovery rather than confirmatory cluster-specific DAG estimation; and latent profile analyses discard dependency structure entirely. We introduce a heterogeneous ordinal structure-learning framework combining monotone Gaussian score embedding, Bayesian nonparametric (BNP) complexity discovery via a truncated stick-breaking prior, and confirmatory fixed-K estimation with cluster-specific sparse DAG learning. The key methodological insight is a discovery-to-confirmation workflow: the nonparametric stage calibrates plausible archetype complexity, while inner-validated confirmatory refitting yields stable, interpretable structural estimates. On the 2024 Pew American Trends Panel AI attitudes survey, Wave 152 (W152) survey, (N = 4,788, 8 ordinal items), the confirmatory K*=5 model reduces holdout transformed-score mean squared error (MSE) by 25.8% over a single-graph baseline and by 4.6% over mixture-only clustering. A controlled tiered semi-synthetic benchmark calibrated to W152 structure validates recovery across difficulty regimes and transparently reveals failure modes under stress conditions.


Reliable Causal Discovery with Improved Exact Search and Weaker Assumptions

Neural Information Processing Systems

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.