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 Learning Graphical Models


Variance Reduction Based Experience Replay for Policy Optimization

arXiv.org Machine Learning

Effective reinforcement learning (RL) for complex stochastic systems requires leveraging historical data collected in previous iterations to accelerate policy optimization. Classical experience replay treats all past observations uniformly and fails to account for their varying contributions to learning. To overcome this limitation, we propose Variance Reduction Experience Replay (VRER), a principled framework that selectively reuses informative samples to reduce variance in policy gradient estimation. VRER is algorithm-agnostic and integrates seamlessly with existing policy optimization methods, forming the basis of our sample-efficient off-policy algorithm, Policy Gradient with VRER (PG-VRER). Motivated by the lack of rigorous theoretical analysis of experience replay, we develop a novel framework that explicitly captures dependencies introduced by Markovian dynamics and behavior-policy interactions. Using this framework, we establish finite-time convergence guarantees for PG-VRER and reveal a fundamental bias-variance trade-off: reusing older experience increases bias but simultaneously reduces gradient variance. Extensive empirical experiments demonstrate that VRER consistently accelerates policy learning and improves performance over state-of-the-art policy optimization algorithms.


Nested Variational Inference

Neural Information Processing Systems

We develop nested variational inference (NVI), a family of methods that learn proposals for nested importance samplers by minimizing an forward or reverse KL divergence at each level of nesting. NVI is applicable to many commonly-used importance sampling strategies and provides a mechanism for learning intermediate densities, which can serve as heuristics to guide the sampler. Our experiments apply NVI to (a) sample from a multimodal distribution using a learned annealing path (b) learn heuristics that approximate the likelihood of future observations in a hidden Markov model and (c) to perform amortized inference in hierarchical deep generative models. We observe that optimizing nested objectives leads to improved sample quality in terms of log average weight and effective sample size.


A Variational Approach for Learning from Positive and Unlabeled Data

Neural Information Processing Systems

Learning binary classifiers only from positive and unlabeled (PU) data is an important and challenging task in many real-world applications, including web text classification, disease gene identification and fraud detection, where negative samples are difficult to verify experimentally. Most recent PU learning methods are developed based on the misclassification risk of the supervised learning type, and they may suffer from inaccurate estimates of class prior probabilities. In this paper, we introduce a variational principle for PU learning that allows us to quantitatively evaluate the modeling error of the Bayesian classifier directly from given data. This leads to a loss function which can be efficiently calculated without involving class prior estimation or any other intermediate estimation problems, and the variational learning method can then be employed to optimize the classifier under general conditions. We illustrate the effectiveness of the proposed variational method on a number of benchmark examples.


Transcendental Regularization of Finite Mixtures:Theoretical Guarantees and Practical Limitations

arXiv.org Machine Learning

Finite mixture models are widely used for unsupervised learning, but maximum likelihood estimation via EM suffers from degeneracy as components collapse. We introduce transcendental regularization, a penalized likelihood framework with analytic barrier functions that prevent degeneracy while maintaining asymptotic efficiency. The resulting Transcendental Algorithm for Mixtures of Distributions (TAMD) offers strong theoretical guarantees: identifiability, consistency, and robustness. Empirically, TAMD successfully stabilizes estimation and prevents collapse, yet achieves only modest improvements in classification accuracy-highlighting fundamental limits of mixture models for unsupervised learning in high dimensions. Our work provides both a novel theoretical framework and an honest assessment of practical limitations, implemented in an open-source R package.


It's all In the (Exponential) Family: An Equivalence between Maximum Likelihood Estimation and Control Variates for Sketching Algorithms

arXiv.org Machine Learning

Maximum likelihood estimators (MLE) and control variate estimators (CVE) have been used in conjunction with known information across sketching algorithms and applications in machine learning. We prove that under certain conditions in an exponential family, an optimal CVE will achieve the same asymptotic variance as the MLE, giving an Expectation-Maximization (EM) algorithm for the MLE. Experiments show the EM algorithm is faster and numerically stable compared to other root finding algorithms for the MLE for the bivariate Normal distribution, and we expect this to hold across distributions satisfying these conditions. We show how the EM algorithm leads to reproducibility for algorithms using MLE / CVE, and demonstrate how the EM algorithm leads to finding the MLE when the CV weights are known.


Functional Stochastic Localization

arXiv.org Machine Learning

Eldan's stochastic localization is a probabilistic construction that has proved instrumental to modern breakthroughs in high-dimensional geometry and the design of sampling algorithms. Motivated by sampling under non-Euclidean geometries and the mirror descent algorithm in optimization, we develop a functional generalization of Eldan's process that replaces Gaussian regularization with regularization by any positive integer multiple of a log-Laplace transform. We further give a mixing time bound on the Markov chain induced by our localization process, which holds if our target distribution satisfies a functional Poincaré inequality. Finally, we apply our framework to differentially private convex optimization in $\ell_p$ norms for $p \in [1, 2)$, where we improve state-of-the-art query complexities in a zeroth-order model.


A principled framework for uncertainty decomposition in TabPFN

arXiv.org Machine Learning

TabPFN is a transformer that achieves state-of-the-art performance on supervised tabular tasks by amortizing Bayesian prediction into a single forward pass. However, there is currently no method for uncertainty decomposition in TabPFN. Because it behaves, in an idealised limit, as a Bayesian in-context learner, we cast the decomposition challenge as a Bayesian predictive inference (BPI) problem. The main computational tool in BPI, predictive Monte Carlo, is challenging to apply here as it requires simulating unmodeled covariates. We therefore pursue the asymptotic alternative, filling a gap in the theory for supervised settings by proving a predictive CLT under quasi-martingale conditions. We derive variance estimators determined by the volatility of predictive updates along the context. The resulting credible bands are fast to compute, target epistemic uncertainty, and achieve near-nominal frequentist coverage. For classification, we further obtain an entropy-based uncertainty decomposition.


Score-based diffusion models for diffuse optical tomography with uncertainty quantification

arXiv.org Machine Learning

Score-based diffusion models are a recently developed framework for posterior sampling in Bayesian inverse problems with a state-of-the-art performance for severely ill-posed problems by leveraging a powerful prior distribution learned from empirical data. Despite generating significant interest especially in the machine-learning community, a thorough study of realistic inverse problems in the presence of modelling error and utilization of physical measurement data is still outstanding. In this work, the framework of unconditional representation for the conditional score function (UCoS) is evaluated for linearized difference imaging in diffuse optical tomography (DOT). DOT uses boundary measurements of near-infrared light to estimate the spatial distribution of absorption and scattering parameters in biological tissues. The problem is highly ill-posed and thus sensitive to noise and modelling errors. We introduce a novel regularization approach that prevents overfitting of the score function by constructing a mixed score composed of a learned and a model-based component. Validation of this approach is done using both simulated and experimental measurement data. The experiments demonstrate that a data-driven prior distribution results in posterior samples with low variance, compared to classical model-based estimation, and centred around the ground truth, even in the context of a highly ill-posed problem and in the presence of modelling errors.


Plug-In Classification of Drift Functions in Diffusion Processes Using Neural Networks

arXiv.org Machine Learning

We study a supervised multiclass classification problem for diffusion processes, where each class is characterized by a distinct drift function and trajectories are observed at discrete times. Extending the one-dimensional multiclass framework of Denis et al. (2024) to multidimensional diffusions, we propose a neural network-based plug-in classifier that estimates the drift functions for each class from independent sample paths and assigns labels based on a Bayes-type decision rule. Under standard regularity assumptions, we establish convergence rates for the excess misclassification risk, explicitly capturing the effects of drift estimation error and time discretization. Numerical experiments demonstrate that the proposed method achieves faster convergence and improved classification performance compared to Denis et al. (2024) in the one-dimensional setting, remains effective in higher dimensions when the underlying drift functions admit a compositional structure, and consistently outperforms direct neural network classifiers trained end-to-end on trajectories without exploiting the diffusion model structure.


Stabilizing Fixed-Point Iteration for Markov Chain Poisson Equations

arXiv.org Machine Learning

Poisson equations underpin average-reward reinforcement learning, but beyond ergodicity they can be ill-posed, meaning that solutions are non-unique and standard fixed point iterations can oscillate on reducible or periodic chains. We study finite-state Markov chains with $n$ states and transition matrix $P$. We show that all non-decaying modes are captured by a real peripheral invariant subspace $\mathcal{K}(P)$, and that the induced operator on the quotient space $\mathbb{R}^n/\mathcal{K}(P)$ is strictly contractive, yielding a unique quotient solution. Building on this viewpoint, we develop an end-to-end pipeline that learns the chain structure, estimates an anchor based gauge map, and runs projected stochastic approximation to estimate a gauge-fixed representative together with an associated peripheral residual. We prove $\widetilde{O}(T^{-1/2})$ convergence up to projection estimation error, enabling stable Poisson equation learning for multichain and periodic regimes with applications to performance evaluation of average-reward reinforcement learning beyond ergodicity.