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 identifiability


CausalVerse: Benchmarking Causal Representation Learning with Configurable High-Fidelity Simulations

Neural Information Processing Systems

Causal Representation Learning (CRL) aims to uncover the data-generating process and identify the underlying causal variables and relations, whose evaluation remains inherently challenging due to the requirement of known ground-truth causal variables and causal structure. Existing evaluations often rely on either simplistic synthetic datasets or downstream performance on real-world tasks, generally suffering a dilemma between realism and evaluative precision. In this paper, we introduce a new benchmark for CRL using high-fidelity simulated visual data that retains both realistic visual complexity and, more importantly, access to groundtruth causal generating processes. The dataset comprises around 200 thousand images and 3 million video frames across 24 sub-scenes in four domains: static image generation, dynamic physical simulations, robotic manipulations, and traffic situation analysis. These scenarios range from static to dynamic settings, simple to complex structures, and single to multi-agent interactions, offering a comprehensive testbed that hopefully bridges the gap between rigorous evaluation and real-world applicability. In addition, we provide flexible access to the underlying causal structures, allowing users to modify or configure them to align with the required assumptions in CRL, such as available domain labels, temporal dependencies, or intervention histories. Leveraging this benchmark, we evaluated representative CRL methods across diverse paradigms and offered empirical insights to assist practitioners and newcomers in choosing or extending appropriate CRL frameworks to properly address specific types of real problems that can benefit from the CRL perspective. Welcome to visit our: Project page: causal-verse.github.io,


Online Time Series Forecasting with Theoretical Guarantees

Neural Information Processing Systems

This paper is concerned with online time series forecasting, where unknown distribution shifts occur over time, i.e., latent variables influence the mapping from historical to future observations. To develop an automated way of online time series forecasting, we propose a Theoretical framework for Online Time-series forecasting (TOT in short) with theoretical guarantees. Specifically, we prove that supplying a forecaster with latent variables tightens the Bayes risk--the benefit endures under estimation uncertainty of latent variables and grows as the latent variables achieve a more precise identifiability. To better introduce latent variables into online forecasting algorithms, we further propose to identify latent variables with minimal adjacent observations. Based on these results, we devise a modelagnostic blueprint by employing a temporal decoder to match the distribution of observed variables and two independent noise estimators to model the causal inference of latent variables and mixing procedures of observed variables, respectively. Experiment results on synthetic data support our theoretical claims. Moreover, plugin implementations built on several baselines yield general improvement across multiple benchmarks, highlighting the effectiveness in real-world applications.


LLMInterpretability with Identifiable Temporal-Instantaneous Representation

Neural Information Processing Systems

Despite Large Language Models' remarkable capabilities, understanding their internal representations remains challenging. Mechanistic interpretability tools such as sparse autoencoders (SAEs) were developed to extract interpretable features from LLMs but lack temporal dependency modeling, instantaneous relation representation, and more importantly theoretical guarantees--undermining both the theoretical foundations and the practical confidence necessary for subsequent analyses. While causal representation learning (CRL) offers theoretically-grounded approaches for uncovering latent concepts, existing methods cannot scale to LLMs' rich conceptual space due to inefficient computation. To bridge the gap, we introduce an identifiable temporal causal representation learning framework specifically designed for LLMs' high-dimensional concept space, capturing both time-delayed and instantaneous causal relations. Our approach provides theoretical guarantees and demonstrates efficacy on synthetic datasets scaled to match real-world complexity. By extending SAE techniques with our temporal causal framework, we successfully discover meaningful concept relationships in LLM activations. Our findings show that modeling both temporal and instantaneous conceptual relationships advances the interpretability of LLMs.


Identifiability of Deep Polynomial Neural Networks

Neural Information Processing Systems

Polynomial Neural Networks (PNNs) possess a rich algebraic and geometric structure. However, their identifiability--a key property for ensuring interpretability-- remains poorly understood. In this work, we present a comprehensive analysis of the identifiability of deep PNNs, including architectures with and without bias terms. Our results reveal an intricate interplay between activation degrees and layer widths in achieving identifiability. As special cases, we show that architectures with non-increasing layer widths are generically identifiable under mild conditions, while encoder-decoder networks are identifiable when the decoder widths do not grow too rapidly compared to the activation degrees. Our proofs are constructive and center on a connection between deep PNNs and low-rank tensor decompositions, and Kruskal-type uniqueness theorems. We also settle an open conjecture on the dimension of PNN's neurovarieties, and provide new bounds on the activation degrees required for it to reach the expected dimension.


Equivariance by Contrast: Identifiable Equivariant Embeddings from Unlabeled Finite Group Actions

Neural Information Processing Systems

We propose Equivariance by Contrast (EbC) to learn equivariant embeddings from observation pairs (y,g y), where g is drawn from a finite group acting on the data. Our method jointly learns a latent space and a group representation in which group actions correspond to invertible linear maps--without relying on group-specific inductive biases. We validate our approach on the infinite dSprites dataset with structured transformations defined by the finite group G:= (Rm Zn Zn), combining discrete rotations and periodic translations. The resulting embeddings exhibit high-fidelity equivariance, with group operations faithfully reproduced in latent space.


Towards Identifiability of Hierarchical Temporal Causal Representation Learning

Neural Information Processing Systems

Modeling hierarchical latent dynamics behind time series data is critical for capturing temporal dependencies across multiple levels of abstraction in real-world tasks. However, existing temporal causal representation learning methods fail to capture such dynamics, as they fail to recover the joint distribution of hierarchical latent variables from single-timestep observed variables. Interestingly, we find that the joint distribution of hierarchical latent variables can be uniquely determined using three conditionally independent observations. Building on this insight, we propose a Causally Hierarchical Latent Dynamic (CHiLD) identification framework. Our approach first employs temporal contextual observed variables to identify the joint distribution of multi-layer latent variables. Sequentially, we exploit the natural sparsity of the hierarchical structure among latent variables to identify latent variables within each layer. Guided by the theoretical results, we develop a time series generative model grounded in variational inference. This model incorporates a contextual encoder to reconstruct multi-layer latent variables and normalize flowbased hierarchical prior networks to impose the independent noise condition of hierarchical latent dynamics. Empirical evaluations on both synthetic and realworld datasets validate our theoretical claims and demonstrate the effectiveness of CHiLD in modeling hierarchical latent dynamics.



Identifiability of Deep Polynomial Neural Networks

Neural Information Processing Systems

Polynomial Neural Networks (PNNs) possess a rich algebraic and geometric structure. However, their identifiability-a key property for ensuring interpretability-remains poorly understood. In this work, we present a comprehensive analysis of the identifiability of deep PNNs, including architectures with and without bias terms. Our results reveal an intricate interplay between activation degrees and layer widths in achieving identifiability. As special cases, we show that architectures with non-increasing layer widths are generically identifiable under mild conditions, while encoder-decoder networks are identifiable when the decoder widths do not grow too rapidly compared to the activation degrees. Our proofs are constructive and center on a connection between deep PNNs and low-rank tensor decompositions, and Kruskal-type uniqueness theorems. We also settle an open conjecture on the dimension of PNN's neurovarieties, and provide new bounds on the activation degrees required for it to reach the expected dimension.


Causal Inference with Categorical Unobserved Confounder via Mixture Learning

arXiv.org Machine Learning

Unobserved confounding is a fundamental challenge for estimating causal effects. To address unobserved confounding, recent literature has turned to two different approaches -- proxy variables and the use of multiple treatments. The first approach, commonly referred to as proximal causal inference, requires proxies to be assigned to specific asymmetric roles: treatment-inducing proxies (negative control exposures), variables that act as common causes of the treatment and outcome, and outcome-inducing proxies (negative control outcomes). In practice, however, identifying variables that satisfy these asymmetric roles can be difficult depending on the application domain. The second approach, commonly referred to as the ``Deconfounder," deals with multiple conditionally independent treatments. There has been limited progress towards developing a consistent estimation method for this setting. As the primary contribution of this work, we establish that causal effects are identifiable in both settings when the unobserved confounder is categorical under suitable conditions. Our approach builds on a mixture learning perspective: we show that the underlying confounding structure can be recovered by identifying the corresponding mixture distribution. We propose an estimation procedure based on tensor decomposition, which allows consistent recovery of the latent structure and comes with non-asymptotic guarantees. Simulation studies and real data experiments demonstrate that the proposed method performs well even with limited data.


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.