Learning Graphical Models
Learning from ASingle Markovian Trajectory: Optimality and Variance Reduction
In this paper, we consider the general stochastic non-convex optimization problem when the sampling process follows a Markov chain. This problem exhibits its significance in capturing many real-world applications, ranging from asynchronous distributed learning to reinforcement learning. In particular, we consider the worst case where one has no prior knowledge and control of the Markov chain, meaning multiple trajectories cannot be simulated but only a single trajectory is available for algorithm design. We first provide algorithm-independent lower bounds with Ω(ϵ 3) (and Ω(ϵ 4)) samples, when objectives are (mean-squared) smooth, for any first-order methods accessing bounded variance gradient oracles to achieve ϵ-approximate critical solutions of original problems. Then, we propose MarkovChain SPIDER (MaC-SPIDER), which leverages variance-reduced techniques, to achieve a O(ϵ 3) upper bound for mean-squared smooth objective functions. To the best of our knowledge, MaC-SPIDER is the first to achieve O(ϵ 3)complexity when sampling from a single Markovian trajectory. And our proposed lower bound concludes its (near) optimality.
Towards Identifiability of Hierarchical Temporal Causal Representation Learning
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.
Gene Regulatory Network Inference in the Presence of Selection Bias and Latent Confounders
Gene regulatory network inference (GRNI) aims to discover how genes causally regulate each other from gene expression data. It is well-known that statistical dependencies in observed data do not necessarily imply causation, as spurious dependencies may arise from latent confounders, such as non-coding RNAs. Numerous GRNI methods have thus been proposed to address this confounding issue. However, dependencies may also result from selection-only cells satisfying certain survival or inclusion criteria are observed-while these selection-induced spurious dependencies are frequently overlooked in gene expression data analyses. In this work, we show that such selection is ubiquitous and, when ignored or conflated with true regulations, can lead to flawed causal interpretation and misguided intervention recommendations. To address this challenge, a fundamental question arises: can we distinguish dependencies due to regulation, confounding, and crucially, selection? We show that gene perturbations offer a simple yet effective answer: selection-induced dependencies are symmetric under perturbation, while those from regulation or confounding are not. Building on this motivation, we propose GISL (Gene regulatory network Inference in the presence of Selection bias and Latent confounders), a principled algorithm that leverages perturbation data to uncover both true gene regulatory relations and non-regulatory mechanisms of selection and confounding up to the equivalence class. Experiments on synthetic and real-world gene expression data demonstrate the effectiveness of our method.
Information-Theoretic Discrete Diffusion
We present an information-theoretic framework for discrete diffusion models that yields principled estimators of log-likelihood using score-matching losses. Inspired by the I-MMSE identity for the Gaussian setup, we derive analogous results for the discrete setting. Specifically, we introduce the Information-Minimum Denoising Score Entropy (I-MDSE) relation, which links mutual information between data and its diffused version to the minimum denoising score entropy (DSE) loss. We extend this theory to masked diffusion and establish the Information-Minimum Denoising Cross-Entropy (I-MDCE) relation, connecting cross-entropy losses to mutual information in discrete masked processes. These results provide a timeintegral decomposition of the log-likelihood of the data in terms of optimal scorebased losses, showing that commonly used losses such as DSE and DCE are not merely variational bounds but tight and principled estimators of log-likelihood. The I-MDCE decomposition further enables practical extensions, including time-free formula, conditional likelihood estimation in prompt-response tasks, and coupled Monte Carlo estimation of likelihood ratios. Experiments on synthetic and realworld data confirm the accuracy, variance stability, and utility of our estimators.
Gaussian Processes for Shuffled Regression
Shuffled regression is the problem of learning regression functions from shuffled data where the correspondence between the input features and target response is unknown. This paper proposes a probabilistic model for shuffled regression called Gaussian Process Shuffled Regression (GPSR). By introducing Gaussian processes as a prior of regression functions in function space via the kernel function, GPSR can express a wide variety of functions in a nonparametric manner while quantifying the uncertainty of the prediction. By adopting the Bayesian evidence maximization framework and a theoretical analysis of the connection between the marginal likelihood/predictive distribution of GPSR and that of standard Gaussian process regression (GPR), we derive an easy-to-implement inference algorithm for GPSR that iteratively applies GPR and updates the input-output correspondence. To reduce computation costs and obtain closed-form solutions for correspondence updates, we also develop a sparse approximate variant of GPSR using its weight space formulation, which can be seen as Bayesian shuffled linear regression with random Fourier features. Experiments on benchmark datasets confirm the effectiveness of our GPSR proposal.
Additive Models Explained: AComputational Complexity Approach
Generalized Additive Models (GAMs) are commonly considered interpretable within the ML community, as their structure makes the relationship between inputs and outputs relatively understandable. Therefore, it may seem natural to hypothesize that obtaining meaningful explanations for GAMs could be performed efficiently and would not be computationally infeasible. In this work, we challenge this hypothesis by analyzing the computational complexity of generating different explanations for various forms of GAMs across multiple contexts. Our analysis reveals a surprisingly diverse landscape of both positive and negative complexity outcomes. Particularly, under standard complexity assumptions such as P =NP, we establish several key findings: (i) in stark contrast to many other common ML models, the complexity of generating explanations for GAMs is heavily influenced by the structure of the input space; (ii) the complexity of explaining GAMs varies significantly with the types of component models used -- but interestingly, these differences only emerge under specific input domain settings; (iii) significant complexity distinctions appear for obtaining explanations in regression tasks versus classification tasks in GAMs; and (iv) expressing complex models like neural networks additively (e.g., as neural additive models) can make them easier to explain, though interestingly, this benefit appears only for certain explanation methods and input domains. Collectively, these results shed light on the feasibility of computing diverse explanations for GAMs, offering a rigorous theoretical picture of the conditions under which such computations are possible or provably hard.
Conditional Forecasts and Proper Scoring Rules for Reliable and Accurate Performative Predictions
Performative predictions are forecasts which influence the outcomes they aim to predict, undermining the existence of correct forecasts and standard methods of elicitation and estimation. We show that conditioning forecasts on covariates that separate them from the outcome renders the target distribution forecast-invariant, guaranteeing well-posedness of the forecasting problem. However, even under this condition, classical proper scoring rules fail to elicit correct forecasts. We prove a general impossibility result and identify two solutions: (i) in decision-theoretic settings, elicitation of correct and incentive-compatible forecasts is possible if forecasts are separating; (ii) scoring with unbiased estimates of the divergence between the forecast and the induced distribution of the target variable yields correct forecasts. Applying these insights to parameter estimation, conditional forecasts and proper scoring rules enable performatively stable estimation of performatively correct parameters, resolving the issues raised by Perdomo et al. (2020). Our results expose fundamental limits of classical forecast evaluation and offer new tools for reliable and accurate forecasting in performative settings.
Incremental Sequence Classification with Temporal Consistency
We address the problem of incremental sequence classification, where predictions are updated as new elements in the sequence are revealed. Drawing on temporaldifference learning from reinforcement learning, we identify a temporal-consistency condition that successive predictions should satisfy. We leverage this condition to develop a novel loss function for training incremental sequence classifiers. Through a concrete example, we demonstrate that optimizing this loss can offer substantial gains in data efficiency. We apply our method to text classification tasks and show that it improves predictive accuracy over competing approaches on several benchmark datasets. We further evaluate our approach on the task of verifying large language model generations for correctness in grade-school math problems. Our results show that models trained with our method are better able to distinguish promising generations from unpromising ones after observing only a few tokens.
Improved Confidence Regions and Optimal Algorithms for Online and Offline Linear MNL Bandits
In this work, we consider the data-driven assortment optimization problem under the linear multinomial logit (MNL) choice model. We first establish an improved confidence region for the maximum-likelihood-estimator (MLE) of the d-dimensional linear MNL likelihood function that removes the explicit dependency on a problem-dependent parameter κ 1 in previous result [42], which scales exponentially with the radius of the parameter set. Building on the confidence region result, we investigate the data-driven assortment optimization problem in both offline and online settings.