Tensor-based second-order causal discovery

Causal discovery from observational data is a fundamental yet challenging task in scientific research. While existing approaches are primarily based on conditional independence tests, structure scores, or restrictive functional assumptions, we propose Decoupled Causal Discovery (DCD), a novel decoupling-based perspective that does not rely on these methodologies. DCD directly identifies the Markov boundary (MB) by decoupling non-target variables via weighting functions, such that only variables within the MB preserve dependence with the target under the decoupled distribution. Building on this, DCD iteratively constructs the Completed Partially Directed Acyclic Graph (CPDAG) by exploiting structural asymmetries within the MBs. We establish the theoretical identifiability, soundness, and completeness of DCD. Empirical evaluations demonstrate that DCD achieves strong performance, particularly excelling in challenging noise regimes.

Causal discovery with instantaneous effects in multivariate time series is challenging, as the instantaneous structure must be acyclic. Prior methods enforce this by either separating instantaneous and lagged estimation into multi-stage pipelines or imposing algebraic acyclicity constraints via complex augmented Lagrangian optimization, both of which incur high computational cost. In this work, we propose a different approach: we learn a differentiable permutation of variables using the Gumbel--Sinkhorn operator and triangularize the instantaneous coefficient matrix of a Structural Vector Autoregressive (SVAR) model in the learned order. This converts acyclicity from a hard constraint into a parameterization and keeps it valid throughout optimization. In doing so, our method enables unified, continuous optimization with gradient-based learning, leading to improved efficiency in time--series causal discovery. Across three real-world benchmarks, our method achieves the best overall performance compared with 12 baselines in both discovery accuracy and efficiency. On the large-scale benchmark, it further demonstrates strong scalability, achieving more than a 6x speedup over competing methods.

Learning causal relations from observational data is challenging because the graph search space grows super-exponentially with the number of variables. Ordering-based methods reduce this space by first identifying the topological ordering, whereas continuous optimization methods explore most likely regions of the space by casting DAG learning as a differentiable objective with an acyclicity constraint. Despite their conceptual appeal, both paradigms face significant scalability limitations in high-dimensional settings, restricting their practical applicability. In this work, we introduce a new formulation for linear causal discovery that tightly integrates these two paradigms to achieve substantial gains in scalability without sacrificing accuracy. Our approach, TriOpt, decomposes the problem into two efficient stages. First, it recovers the topological ordering by exploiting the Sherman-Morrison rank-1 downdate together with the additive structure of linear kernels, enabling fast and scalable ordering estimation. Second, given this ordering, we reformulate structure learning as a convex continuous optimization problem that entirely avoids the need for enforcing costly acyclicity constraints. We theoretically show that, under the true ordering, TriOpt exactly recovers the underlying linear DAG. Empirically, across synthetic, semi-synthetic, and real-world datasets, TriOpt achieves orders-of-magnitude speedups over state-of-the-art linear causal discovery methods in high-dimensional regimes, while maintaining comparable or superior accuracy.