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 Learning Graphical Models


Learning stochastic multiscale models through normalizing flows

arXiv.org Machine Learning

Many systems in physics, engineering, and biology exhibit multiscale stochastic dynamics, where low-dimensional slow variables evolve under the influence of high-dimensional fast processes. In practice, observations are often limited to a single trajectory of the slow component, while the fast dynamics remain unobserved, making statistical learning challenging. Approaches based on partial differential equations (PDE), such as Fokker-Planck formulations, aim to characterize the evolution of probability densities, typically requiring dense space-time data or grid-based solvers. In contrast, we adopt a trajectory-based perspective and develop a data-driven framework for learning effective stochastic dynamics from a single observed path. We model the dynamics by coupled multiscale stochastic differential equations (SDEs) and first obtain a principled model reduction through stochastic averaging. Unlike generic model reduction techniques such as PCA, this respects the dynamical structure of the original system and explicitly incorporates the interaction between slow and fast scales. A central challenge, however, is that the reduced model depends on the invariant distribution of the fast process, which is a solution to an intractable and often unknown PDE. We introduce a novel learning framework that parameterizes the invariant distribution using normalizing flows, enabling expressive density modeling in the latent fast-variable space. The flow is trained end-to-end by optimizing a penalized likelihood objective induced by the reduced stochastic dynamics. Furthermore, we develop a Bayesian variational inference procedure for uncertainty quantification, employing a second normalizing flow to approximate the posterior distribution over model parameters. This yields a scalable approach to capturing epistemic uncertainty in multiscale systems.


Extended Wasserstein-GAN Approach to Causal Distribution Learning: Density-Free Estimation and Minimax Optimality

arXiv.org Machine Learning

Distributional causal inference requires estimating not only average treatment effects but also interventional outcome distributions, including quantiles, tail risks, and policy-dependent uncertainty. As a method for distributional causal inference, generative adversarial network (GAN)-based counterfactual methods are flexible tools for this task. However, these methods have several limitations. First, the objectives of certain techniques do not coincide with the statistical risk of the identifiable causal target, and therefore provide limited theoretical guarantees regarding estimable counterfactual distributions or optimality. Second, they tend to rely on unstable density-based methods, such as density ratio estimation. In this paper, we propose GANICE (GAN for Interventional Conditional Estimation) with several advantages: it (i) clarifies the conditional interventional distribution for each treatment--covariate state as the causal estimation target; (ii) estimates the conditional distribution such that its averaged Wasserstein risk is minimized; (iii) establishes minimax optimality. GANICE achieves these advantages through the introduction of the extended Wasserstein distance, the incorporation of a cellwise critic in its dual, and an optimality proof based on Besov space theory. Our experiments demonstrate that GANICE consistently outperforms existing methods.


Uncertainty in Physics and AI: Taxonomy, Quantification, and Validation

arXiv.org Machine Learning

Reliable uncertainty quantification is essential for the use of machine learning in physics, where scientific discoveries depend on validated probabilistic statements. We provide a structured overview of uncertainty quantification in ML for physics, introducing a unified taxonomy of uncertainty and clarifying the interpretation of predictive and inference uncertainties across frequentist and Bayesian frameworks. We discuss principled validation tools, including coverage, calibration, bias tests, and proper scoring rules, and illustrate them with simple regression and classification examples.


A Recursive Decomposition Framework for Causal Structure Learning in the Presence of Latent Variables

arXiv.org Machine Learning

Constraint-based causal discovery is widely used for learning causal structures, but heavy reliance on conditional independence (CI) testing makes it computationally expensive in high-dimensional settings. To mitigate this limitation, many divide-and-conquer frameworks have been proposed, but most assume causal sufficiency, i.e., no latent variables. In this paper, we show that divide-and-conquer strategies can be theoretically generalized beyond causal sufficiency to settings with latent variables. Specifically, we propose a recursive decomposition framework, termed DiCoLa, that enables divide-and-conquer causal discovery in the presence of latent variables. It recursively decomposes the global learning task into smaller subproblems and integrates their solutions through a principled reconstruction step to recover the global structure. We theoretically establish the soundness and completeness of the proposed framework. Extensive experiments on synthetic data demonstrate that our approach significantly improves computational efficiency across a range of causal discovery algorithms, while experiments on a real-world dataset further illustrate its practical effectiveness.


Natural Policy Gradient as Doubly Smoothed Policy Iteration: A Bellman-Operator Framework

arXiv.org Machine Learning

In this work, we show that natural policy gradient, a core algorithm in reinforcement learning, admits an exact formulation as a smoothed and averaged form of policy iteration. Specifically, we introduce doubly smoothed policy iteration (DSPI), a Bellman-operator framework in which each policy is obtained by applying a regularized greedy step to a weighted average of past $Q$-functions. DSPI includes policy iteration, dual-averaged policy iteration, natural policy gradient, and more general policy dual averaging methods as special cases. Using only monotonicity and contraction of smoothed Bellman operators, we prove distribution-free global geometric convergence of DSPI. Consequently, standard natural policy gradient and policy dual averaging achieve an iteration complexity of $\mathcal{O}((1-γ)^{-1}\log((1-γ)^{-1}ε^{-1}))$ for computing an $ε$-optimal policy, without modifying the MDP, adding regularization beyond the mirror map inherent in the update, or using adaptive, trajectory-dependent stepsizes. For the unregularized greedy case, corresponding to dual-averaged policy iteration, we also prove finite termination. The same Bellman-operator framework further extends to discounted MDPs with linear function approximation and stochastic shortest path problems.


A Differentiable Bayesian Relaxation for Latent Partial-Order Inference

arXiv.org Machine Learning

Rank-data and action-trace datasets are typically recorded as linear sequences, although the constraints governing valid outcomes are often only partially ordered. These constraints may be temporal or process-based [24, 23, 16], causal [5], or dominance-based [28], and are usually not observed directly. Inferring them is important because they encode interpretable structure and support feasibility evaluation on new sequences. In these settings, however, the underlying relation is often incomplete: the latent structure is a partial order, or poset, in which pairs of items that can occur in either order have no precedence relation. Consequently, an observed order need not imply a true prerequisite relation; it may reflect scheduling, logging, or a single valid linearization of the latent partial order. Treating all observed precedences as real can therefore produce overly sequential and unrealistic structures, especially in workflow or LLM-agent settings where unnecessary ordering induces extra execution steps and compute.


Almost Sure Convergence Rates of Stochastic Approximation and Reinforcement Learning via a Poisson-Moreau Drift

arXiv.org Machine Learning

Establishing almost sure convergence rates for stochastic approximation and reinforcement learning under Markovian noise is a fundamental theoretical challenge. We make progress towards this challenge for a class of stochastic approximation algorithms whose expected updates are contractive, a setting that arises in many reinforcement learning algorithms such as $Q$-learning and linear temporal difference learning. Specifically, for a power-law learning rate $O(n^{-η})$ with $η\in (1/2, 1)$, we obtain an almost sure convergence rate arbitrarily close to $o(n^{1 - 2η})$. For a harmonic learning rate $O(n^{-1})$, we obtain an almost sure convergence rate arbitrarily close to $o(n^{-1})$, which we argue is a strong result because it is close to the optimal rate $O(n^{-1}\log\log n)$ given by the law of the iterated logarithm (for a special case of i.i.d. noise). Key to our analysis is a novel Lyapunov drift construction that applies a Poisson-equation based correction for Markovian noise to the well-established Moreau-envelope smoothing for the contractive mapping.


Improved Model-based Reinforcement Learning with Smooth Kernels

arXiv.org Machine Learning

For continuous state-action space scenarios, classical reinforcement learning (RL) theory predominantly focuses on low-rank Markov decision processes (MDPs), which provide sample-efficient guarantees at the expense of restrictive structural assumptions. Kernel smoothing model-based approaches offer a promising alternative paradigm that instead leverages the smoothness of the MDP and employs non-parametric kernel smoothing estimates of transition dynamics. This paper proposes a new kernel-smoothing model-based approach for online reinforcement learning in finite-horizon settings under Lipschitz continuity assumptions on the MDP. By incorporating a Bernstein-style exploration bonus into the kernel smoothing framework, our method achieves a regret bound which improves upon the state-of-the-art regret bound in its dependence on the horizon. The theoretical advancement relies on a delicate analysis of the synergy between Bernstein-style bonuses and kernel smoothing, where a new tight Bernstein-type concentration inequality for martingales may be of independent interest.


Consistency Regularised Gradient Flows for Inverse Problems

arXiv.org Machine Learning

Vision-Language Latent Diffusion Models (LDMs) (Rombach et al., 2022) provide powerful generative priors for inverse problems. However, existing LDM-based inverse solvers typically require a large number of neural function evaluations (NFEs) and backpropagation through large pretrained components, leading to substantial computational costs and, in some cases, degraded reconstruction quality. We propose a unified Euclidean-Wasserstein-2 gradient-flow framework that jointly performs posterior sampling and prompt optimization in the latent space through a single flow that aligns the prior and posterior with the observed data. Combined with few-step latent text-to-image models, this formulation enables low-NFE inference without backpropagation through autoencoders. Experiments across several canonical imaging inverse problems show that our method achieves state-of-the-art performance with significantly reduced computational cost.


Empirical Bayes Rebiasing

arXiv.org Machine Learning

We study methods for simultaneous analysis of many noisy and biased estimates, each paired with an even noisier estimate of its own bias. The analyst's goal is to construct short calibrated intervals for each parameter. The standard debiasing approach, which subtracts the bias estimate from each biased estimate, inflates variance and yields long intervals. In this paper, we propose an empirical Bayes rebiasing strategy that starts from the fully debiased estimates and learns from data how much bias to reintroduce by estimating the unknown bias distribution. We provide convergence rates for the coverage of our intervals when the bias distribution is estimated using nonparametric maximum likelihood. Furthermore, we demonstrate substantial precision gains in prediction-powered inference, including pairwise LLM win-rate evaluations, as well as for inference of direct genetic effects in family-based GWAS.