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Causal Discovery and Inference through Next-Token Prediction

Neural Information Processing Systems

Deep neural networks have been criticized as fundamentally statistical systems that fail to capture causal structure and perform causal reasoning. Here we demonstrate that a GPT-style transformer trained for next-token prediction can simultaneously discover instances of linear Gaussian structural causal models (SCMs) and learn to answer counterfactual queries about those SCMs. First, we show that the network generalizes to counterfactual queries about SCMs for which it has seen interventional data but not any examples of counterfactual inference. The network must, thus, have successfully composed discovered causal structures with a learned counterfactual inference algorithm. Second, we decode the implicit "mental" SCM from the network's residual stream activations and manipulate it using gradient descent with predictable effects on the network's output. Our results suggest that statistical prediction may be sufficient to drive the emergence of internal causal models and causal inference capacities in deep neural networks.


CausalDynamics: A large-scale benchmark for structural discovery of dynamical causal models

Neural Information Processing Systems

Causal discovery for dynamical systems poses a major challenge in fields where active interventions are infeasible. Most methods used to investigate these systems and their associated benchmarks are tailored to deterministic, low-dimensional and weakly nonlinear time-series data. To address these limitations, we present CausalDynamics, a large-scale benchmark and extensible data generation framework to advance the structural discovery of dynamical causal models. Our benchmark consists of true causal graphs derived from thousands of both linearly and nonlinearly coupled ordinary and stochastic differential equations as well as two idealized climate models. We perform a comprehensive evaluation of state-of-the-art causal discovery algorithms for graph reconstruction on systems with noisy, confounded, and lagged dynamics. CausalDynamics consists of a plug-and-play, build-yourown coupling workflow that enables the construction of a hierarchy of physical systems. We anticipate that our framework will facilitate the development of robust causal discovery algorithms that are broadly applicable across domains while addressing their unique challenges. We provide a user-friendly implementation and documentation on https://kausable.github.io/CausalDynamics.



Universal Causal Inference in a Topos

Neural Information Processing Systems

In this paper, we explore the universal properties underlying causal inference by formulating it in terms of a topos. More concretely, we introduce topos causal models (TCMs), a strict generalization of the popular structural causal models (SCMs). A topos category has several properties that make it attractive: a general theory for how to combine local functions that define ``independent causal mechanisms into a consistent global function building on the theory of sheaves in a topos; a generic way to define causal interventions using a subobject classifier in a topos category; and finally, an internal logical language for causal and counterfactual reasoning that emerges from the topos itself. A striking characteristic of subobject classifiers is that they induce an intuitionistic logic, whose semantics is based on the partially ordered lattice of subobjects. We show that the underlying subobject classifier for causal inference is not Boolean in general, but forms a Heyting algebra. We define the internal Mitchell-B\'enabou language, a typed local set theory, associated with causal models, and its associated Kripke-Joyal intuitionistic semantics. We prove a universal property of TCM, namely that any causal functor mapping decomposable structure to probabilistic semantics factors uniquely through a TCM representation.


Transition Matching: Scalable and Flexible Generative Modeling

Neural Information Processing Systems

Diffusion and flow matching models have significantly advanced media generation, yet their design space is well-explored, somewhat limiting further improvements. Concurrently, autoregressive (AR) models, particularly those generating continuous tokens, have emerged as a promising direction for unifying text and media generation, showing improved performance at scale. This paper introduces Transition Matching (TM), a novel discrete-time, continuous-state generative paradigm that unifies and advances both diffusion/flow models and continuous AR generation. TM decomposes complex generation tasks into simpler Markov transitions, allowing for expressive non-deterministic probability transition kernels and arbitrary non-continuous supervision processes, thereby unlocking new flexible design avenues. We explore these choices through three TM variants: (i) Difference Transition Matching (DTM), which generalizes flow matching to discrete-time by directly learning transition probabilities, yielding state-of-the-art image quality and text adherence.


Agents Robust to Distribution Shifts Learn Causal World Models Even Under Mediation

Neural Information Processing Systems

In this work, we prove that agents capable of adapting to distribution shifts must have learned the causal model of their environment even in the presence of mediation. This term describes situations where an agent's actions affect its environment, a dynamic common to most real-world settings. For example, a robot in an industrial plant might interact with tools, move through space, and transform products to complete its task. We introduce an algorithm for eliciting causal knowledge from robust agents using optimal policy oracles, with the flexibility to incorporate prior causal knowledge. We further demonstrate its effectiveness in mediated single-agent scenarios and multi-agent environments. We identify conditions under which the presence of a single robust agent is sufficient to recover the full causal model and derive optimal policies for other agents in the same environment. Finally, we show how to apply these results to sequential decision-making tasks modeled as Partially Observable Markov Decision Processes (POMDPs).


Score-Based Causal Discovery of Latent Variable Causal Models

arXiv.org Machine Learning

Identifying latent variables and the causal structure involving them is essential across various scientific fields. While many existing works fall under the category of constraint-based methods (with e.g. conditional independence or rank deficiency tests), they may face empirical challenges such as testing-order dependency, error propagation, and choosing an appropriate significance level. These issues can potentially be mitigated by properly designed score-based methods, such as Greedy Equivalence Search (GES) (Chickering, 2002) in the specific setting without latent variables. Yet, formulating score-based methods with latent variables is highly challenging. In this work, we develop score-based methods that are capable of identifying causal structures containing causally-related latent variables with identifiability guarantees. Specifically, we show that a properly formulated scoring function can achieve score equivalence and consistency for structure learning of latent variable causal models. We further provide a characterization of the degrees of freedom for the marginal over the observed variables under multiple structural assumptions considered in the literature, and accordingly develop both exact and continuous score-based methods. This offers a unified view of several existing constraint-based methods with different structural assumptions. Experimental results validate the effectiveness of the proposed methods.


Causal Learning with the Invariance Principle

arXiv.org Machine Learning

Causal discovery, the problem of inferring the direction of causality, is generally ill-posed. We use the language of structural causal models (SCM) to show that assuming that the causal relations are acyclic and invariant across multiple environments (e.g., the way minimum wage affects employment rate is stable across different geographical regions), \textit{only} two auxiliary environments are sufficient to infer the causal graph for arbitrary nonlinear mechanisms. Moreover, we demonstrate that this implies identifiability of the SCM functional mechanisms: as a corollary, we show that \textit{two} auxiliary environments are sufficient to guarantee correct counterfactual inference. We empirically support our theoretical results on synthetic data.


Coarsening Linear Non-Gaussian Causal Models with Cycles

arXiv.org Machine Learning

Recent work on causal abstraction, in particular graphical approaches focusing on causal structure between clusters of variables, aims to summarize a high-dimensional causal structure in terms of a low-dimensional one. Existing methods for learning such summaries from data assume that both the high- and low-dimensional structures are acyclic, which is helpful for causal effect identification and reasoning but excludes many high-dimensional models and thus limits applicability. We show that in the linear non-Gaussian (LiNG) setting, the high-dimensional acyclicity assumption can be relaxed while still allowing recovery of a low-dimensional causal directed acyclic graph (DAG). We further connect identifiability of this low-dimensional DAG to existing results: LiNG models with cycles are observationally identifiable only up to an equivalence class whose members differ by reversals of directed cycles; our low-dimensional DAG, which is invariant across all members of a given equivalence class, thus forms a natural representative of the class. While existing approaches for learning this observational equivalence class over high-dimensional variables have exponential time complexity, our low-dimensional summary is learned in worst-case cubic time and comes with explicit bounds on the sample complexity. We provide open source code and experiments on synthetic data to corroborate our theoretical results.