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 Learning Graphical Models


Central Limit Theorem for ergodic averages of Markov chains \& the comparison of sampling algorithms for heavy-tailed distributions

arXiv.org Machine Learning

Establishing central limit theorems (CLTs) for ergodic averages of Markov chains is a fundamental problem in probability and its applications. Since the seminal work~\cite{MR834478}, a vast literature has emerged on the sufficient conditions for such CLTs. To counterbalance this, the present paper provides verifiable necessary conditions for CLTs of ergodic averages of Markov chains on general state spaces. Our theory is based on drift conditions, which also yield lower bounds on the rates of convergence to stationarity in various metrics. The validity of the ergodic CLT is of particular importance for sampling algorithms, where it underpins the error analysis of estimators in Bayesian statistics and machine learning. Although heavy-tailed sampling is of central importance in applications, the characterisation of the CLT and the convergence rates are theoretically poorly understood for almost all practically-used Markov chain Monte Carlo (MCMC) algorithms. In this setting our results provide sharp conditions on the validity of the ergodic CLT and establish convergence rates for large families of MCMC sampling algorithms for heavy-tailed targets. Our study includes a rather complete analyses for random walk Metropolis samplers (with finite- and infinite-variance proposals), Metropolis-adjusted and unadjusted Langevin algorithms and the stereographic projection sampler (as well as the independence sampler). By providing these sharp results via our practical drift conditions, our theory offers significant insights into the problems of algorithm selection and comparison for sampling heavy-tailed distributions (see short YouTube presentations~\cite{YouTube_talk} describing our \href{https://youtu.be/m2y7U4cEqy4}{\underline{theory}} and \href{https://youtu.be/w8I_oOweuko}{\underline{applications}}).


Causal Inference as Distribution Adaptation: Optimizing ATE Risk under Propensity Uncertainty

arXiv.org Machine Learning

Standard approaches to causal inference, such as Outcome Regression and Inverse Probability Weighted Regression Adjustment (IPWRA), are typically derived through the lens of missing data imputation and identification theory. In this work, we unify these methods from a Machine Learning perspective, reframing ATE estimation as a \textit{domain adaptation problem under distribution shift}. We demonstrate that the canonical Hajek estimator is a special case of IPWRA restricted to a constant hypothesis class, and that IPWRA itself is fundamentally Importance-Weighted Empirical Risk Minimization designed to correct for the covariate shift between the treated sub-population and the target population. Leveraging this unified framework, we critically examine the optimization objectives of Doubly Robust estimators. We argue that standard methods enforce \textit{sufficient but not necessary} conditions for consistency by requiring outcome models to be individually unbiased. We define the true "ATE Risk Function" and show that minimizing it requires only that the biases of the treated and control models structurally cancel out. Exploiting this insight, we propose the \textbf{Joint Robust Estimator (JRE)}. Instead of treating propensity estimation and outcome modeling as independent stages, JRE utilizes bootstrap-based uncertainty quantification of the propensity score to train outcome models jointly. By optimizing for the expected ATE risk over the distribution of propensity scores, JRE leverages model degrees of freedom to achieve robustness against propensity misspecification. Simulation studies demonstrate that JRE achieves up to a 15\% reduction in MSE compared to standard IPWRA in finite-sample regimes with misspecified outcome models.


Sampling from multimodal distributions with warm starts: Non-asymptotic bounds for the Reweighted Annealed Leap-Point Sampler

arXiv.org Machine Learning

Sampling from multimodal distributions is a central challenge in Bayesian inference and machine learning. In light of hardness results for sampling -- classical MCMC methods, even with tempering, can suffer from exponential mixing times -- a natural question is how to leverage additional information, such as a warm start point for each mode, to enable faster mixing across modes. To address this, we introduce Reweighted ALPS (Re-ALPS), a modified version of the Annealed Leap-Point Sampler (ALPS) that dispenses with the Gaussian approximation assumption. We prove the first polynomial-time bound that works in a general setting, under a natural assumption that each component contains significant mass relative to the others when tilted towards the corresponding warm start point. Similarly to ALPS, we define distributions tilted towards a mixture centered at the warm start points, and at the coldest level, use teleportation between warm start points to enable efficient mixing across modes. In contrast to ALPS, our method does not require Hessian information at the modes, but instead estimates component partition functions via Monte Carlo. This additional estimation step is crucial in allowing the algorithm to handle target distributions with more complex geometries besides approximate Gaussian. For the proof, we show convergence results for Markov processes when only part of the stationary distribution is well-mixing and estimation for partition functions for individual components of a mixture. We numerically evaluate our algorithm's mixing performance compared to ALPS on a mixture of heavy-tailed distributions.


Generative modeling of conditional probability distributions on the level-sets of collective variables

arXiv.org Machine Learning

Given a probability distribution $μ$ in $\mathbb{R}^d$ represented by data, we study in this paper the generative modeling of its conditional probability distributions on the level-sets of a collective variable $ξ: \mathbb{R}^d \rightarrow \mathbb{R}^k$, where $1 \le k


DAG Learning from Zero-Inflated Count Data Using Continuous Optimization

arXiv.org Machine Learning

We address network structure learning from zero-inflated count data by casting each node as a zero-inflated generalized linear model and optimizing a smooth, score-based objective under a directed acyclic graph constraint. Our Zero-Inflated Continuous Optimization (ZICO) approach uses node-wise likelihoods with canonical links and enforces acyclicity through a differentiable surrogate constraint combined with sparsity regularization. ZICO achieves superior performance with faster runtimes on simulated data. It also performs comparably to or better than common algorithms for reverse engineering gene regulatory networks. ZICO is fully vectorized and mini-batched, enabling learning on larger variable sets with practical runtimes in a wide range of domains.


Provably Extracting the Features from a General Superposition

arXiv.org Machine Learning

It is widely believed that complex machine learning models generally encode features through linear representations, but these features exist in superposition, making them challenging to recover. We study the following fundamental setting for learning features in superposition from black-box query access: we are given query access to a function \[ f(x)=\sum_{i=1}^n a_i\,σ_i(v_i^\top x), \] where each unit vector $v_i$ encodes a feature direction and $σ_i:\mathbb{R} \rightarrow \mathbb{R}$ is an arbitrary response function and our goal is to recover the $v_i$ and the function $f$. In learning-theoretic terms, superposition refers to the overcomplete regime, when the number of features is larger than the underlying dimension (i.e. $n > d$), which has proven especially challenging for typical algorithmic approaches. Our main result is an efficient query algorithm that, from noisy oracle access to $f$, identifies all feature directions whose responses are non-degenerate and reconstructs the function $f$. Crucially, our algorithm works in a significantly more general setting than all related prior results -- we allow for essentially arbitrary superpositions, only requiring that $v_i, v_j$ are not nearly identical for $i \neq j$, and general response functions $σ_i$. At a high level, our algorithm introduces an approach for searching in Fourier space by iteratively refining the search space to locate the hidden directions $v_i$.


Fully Bayesian Spectral Clustering and Benchmarking with Uncertainty Quantification for Small Area Estimation

arXiv.org Machine Learning

In this work, inspired by machine learning techniques, we propose a new Bayesian model for Small Area Estimation (SAE), the Fay-Herriot model with Spectral Clustering (FH-SC). Unlike traditional approaches, clustering in FH-SC is based on spectral clustering algorithms that utilize external covariates, rather than geographical or administrative criteria. A major advantage of the FH-SC model is its flexibility in integrating existing SAE approaches, with or without clustering random effects. To enable benchmarking, we leverage the theoretical framework of posterior projections for constrained Bayesian inference and derive closed form expressions for the new Rao-Blackwell (RB) estimators of the posterior mean under the FH-SC model. Additionally, we introduce a novel measure of uncertainty for the benchmarked estimator, the Conditional Posterior Mean Square Error (CPMSE), which is generalizable to other Bayesian SAE estimators. We conduct model-based and data-based simulation studies to evaluate the frequentist properties of the CPMSE. The proposed methodology is motivated by a real case study involving the estimation of the proportion of households with internet access in the municipalities of Colombia. Finally, we also illustrate the advantages of FH-SC over existing Bayesian and frequentist approaches through our case study.


Autoregressive Language Models are Secretly Energy-Based Models: Insights into the Lookahead Capabilities of Next-Token Prediction

arXiv.org Machine Learning

Autoregressive models (ARMs) currently constitute the dominant paradigm for large language models (LLMs). Energy-based models (EBMs) represent another class of models, which have historically been less prevalent in LLM development, yet naturally characterize the optimal policy in post-training alignment. In this paper, we provide a unified view of these two model classes. Taking the chain rule of probability as a starting point, we establish an explicit bijection between ARMs and EBMs in function space, which we show to correspond to a special case of the soft Bellman equation in maximum entropy reinforcement learning. Building upon this bijection, we derive the equivalence between supervised learning of ARMs and EBMs. Furthermore, we analyze the distillation of EBMs into ARMs by providing theoretical error bounds. Our results provide insights into the ability of ARMs to plan ahead, despite being based on the next-token prediction paradigm.


Model inference for ranking from pairwise comparisons

arXiv.org Machine Learning

We consider the problem of ranking objects from noisy pairwise comparisons, for example, ranking tennis players from the outcomes of matches. We follow a standard approach to this problem and assume that each object has an unobserved strength and that the outcome of each comparison depends probabilistically on the strengths of the comparands. However, we do not assume to know a priori how skills affect outcomes. Instead, we present an efficient algorithm for simultaneously inferring both the unobserved strengths and the function that maps strengths to probabilities. Despite this problem being under-constrained, we present experimental evidence that the conclusions of our Bayesian approach are robust to different model specifications. We include several case studies to exemplify the method on real-world data sets.


A Bayesian latent class reinforcement learning framework to capture adaptive, feedback-driven travel behaviour

arXiv.org Machine Learning

Many travel decisions involve a degree of experience formation, where individuals learn their preferences over time. At the same time, there is extensive scope for heterogeneity across individual travellers, both in their underlying preferences and in how these evolve. The present paper puts forward a Latent Class Reinforcement Learning (LCRL) model that allows analysts to capture both of these phenomena. We apply the model to a driving simulator dataset and estimate the parameters through Variational Bayes. We identify three distinct classes of individuals that differ markedly in how they adapt their preferences: the first displays context-dependent preferences with context-specific exploitative tendencies; the second follows a persistent exploitative strategy regardless of context; and the third engages in an exploratory strategy combined with context-specific preferences.