DAG-FM: A Foundation Model for Causal Discovery under Heterogeneous Causal Mechanisms

Causal discovery is critical for understanding complex data-generating mechanisms, yet traditional algorithms often struggle with highly non-linear and noisy systems, or suffer from severe computational bottlenecks. Recent tabular foundation models based on Prior-Data Fitted Networks (PFNs) have demonstrated remarkable zero-shot inference capabilities, but their potential for explicit structural causal discovery remains underexplored. To bridge this gap, we propose DCD-PFN, a decoupling-aware foundation model for causal discovery. Instead of directly amortizing global graph reconstruction, DCD-PFN focuses on local causal discovery through a decoupling-based paradigm. Through pre-training on diverse synthetic Structural Causal Models (SCMs), the model learns sample-wise decoupling weights that enable Markov boundary (MB) identification. Furthermore, by leveraging parallelized local discovery, DCD-PFN efficiently reconstructs global causal graphs while remaining grounded in the theoretical foundations of decoupling-based causal discovery. Experiments demonstrate that our foundation model achieves robust zero-shot generalization.

We introduce Arrow, a foundation model for zero-shot causal discovery on observational tabular data. Arrow factorizes a directed acyclic graph into an undirected skeleton and a topological order, guaranteeing acyclicity by construction. Given a new dataset, it uses a transformer-based architecture to contextualize variables within and across observations, then predicts skeleton edge probabilities and node order scores that together define a graph. Arrow is trained in a supervised fashion on synthetic datasets with ground-truth graphs, using an end-to-end differentiable directed edge composite likelihood induced by the skeleton-order factorization. The training distribution spans diverse graph families, functional forms, noise models, and dataset shapes. Across in- and out-of-distribution synthetic, semi-synthetic, and real datasets, Arrow matches or outperforms existing causal discovery methods at substantially lower inference cost than competitive alternatives. Our results demonstrate that large-scale pretraining on diverse synthetic data can yield zero-shot causal discovery models that are fast, accurate, and reusable on new datasets.

Causal discovery from observational data remains challenging due to the need to recover directed structure and latent confounding without interventions. We propose FoundCause, an amortized causal discovery model trained entirely on synthetic data that maps datasets directly to causal graphs in a single forward pass. By learning from large collections of simulated structural causal models, FoundCause captures transferable statistical patterns that generalize beyond individual datasets. The architecture incorporates several key inductive biases for causal discovery. It uses a permutation-invariant transformer encoder with alternating attention over samples and variables to jointly model cross-variable dependence and per-variable distributions. Pairwise statistical features derived from classical asymmetry measures are injected through statistics-conditioned attention, guiding the model toward known causal signals. A factorized decoder separates edge existence from direction, while a triangular refinement module enables reasoning over higher-order causal motifs such as chains and colliders. In addition, a dedicated confounder module based on learnable latent tokens explicitly models hidden common causes, and the model explicitly handles missing data via its masked input representation. To our knowledge, FoundCause is the first amortized causal discovery approach to explicitly model latent confounding. FoundCause outperforms 11 classical non-amortized methods (e.g., PC, GES, NOTEARS-style optimization) and 4 amortized causal discovery methods on 15 real-world datasets, achieving +9.6% improvement in $F_1$, +1.2% in AUROC, and an 18.9% reduction in structural Hamming distance relative to the strongest non-amortized methods, while performing inference in a single forward pass.