We address the open question of counterfactual identification for high-dimensional multivariate outcomes from observational data. Pearl (2000) argues that counterfactuals must be identifiable (i.e., recoverable from the observed data distribution) to justify causal claims. A recent line of work on counterfactual inference shows promising results but lacks identification, undermining the causal validity of its estimates. To address this, we establish a foundation for multivariate counterfactual identification using continuous-time flows, including non-Markovian settings under standard criteria. We characterise the conditions under which flow matching yields a unique, monotone and rank-preserving counterfactual transport map with tools from dynamic optimal transport, ensuring consistent inference. Building on this, we validate the theory in controlled scenarios with counterfactual ground-truth and demonstrate improvements in axiomatic counterfactual soundness on real images.

This paper investigates $\sim_{\mathcal{L}_3}$-identifiability, a form of complete counterfactual identifiability within the Pearl Causal Hierarchy (PCH) framework, ensuring that all Structural Causal Models (SCMs) satisfying the given assumptions provide consistent answers to all causal questions. To simplify this problem, we introduce exogenous isomorphism and propose $\sim_{\mathrm{EI}}$-identifiability, reflecting the strength of model identifiability required for $\sim_{\mathcal{L}_3}$-identifiability. We explore sufficient assumptions for achieving $\sim_{\mathrm{EI}}$-identifiability in two special classes of SCMs: Bijective SCMs (BSCMs), based on counterfactual transport, and Triangular Monotonic SCMs (TM-SCMs), which extend $\sim_{\mathcal{L}_2}$-identifiability. Our results unify and generalize existing theories, providing theoretical guarantees for practical applications. Finally, we leverage neural TM-SCMs to address the consistency problem in counterfactual reasoning, with experiments validating both the effectiveness of our method and the correctness of the theory.

We study counterfactual identifiability in causal models with bijective generation mechanisms (BGM), a class that generalizes several widely-used causal models in the literature. We establish their counterfactual identifiability for three common causal structures with unobserved confounding, and propose a practical learning method that casts learning a BGM as structured generative modeling. Learned BGMs enable efficient counterfactual estimation and can be obtained using a variety of deep conditional generative models. We evaluate our techniques in a visual task and demonstrate its application in a real-world video streaming simulation task.

Recent advances in probabilistic generative modeling have motivated learning Structural Causal Models (SCM) from observational datasets using deep conditional generative models, also known as Deep Structural Causal Model (DSCM). If successful, DSCMs can be utilized for causal estimation tasks, e.g., for answering counterfactual queries (Pawlowski et al. (2020)). In this work, we warn practitioners about non-identifiability of counterfactual inference from observational data, even in the absence of unobserved confounding and assuming known causal structure. We prove counterfactual identifiability of monotonic generation mechanisms with single dimensional exogenous variables. For general generation mechanisms with multi-dimensional exogenous variables, we provide an impossibility result for counterfactual identifiability, motivating the need for parametric assumptions. As a practical approach, we propose a method for estimating worst-case errors of learned DSCMs' counterfactual predictions. The size of this error can be an essential metric for deciding whether or not DSCMs are a viable approach for counterfactual inference in a specific problem setting. In evaluation, our method confirms negligible counterfactual errors for an identifiable Structural Causal Model (SCM) from prior work, and also provides informative error bounds on counterfactual errors for a non-identifiable synthetic SCM.