Goto

Collaborating Authors

 Directed Networks


Deep Actor-Critics with Tight Risk Certificates

arXiv.org Artificial Intelligence

Deep actor-critic algorithms have reached a level where they influence everyday life. They are a driving force behind continual improvement of large language models through user feedback. However, their deployment in physical systems is not yet widely adopted, mainly because no validation scheme fully quantifies their risk of malfunction. We demonstrate that it is possible to develop tight risk certificates for deep actor-critic algorithms that predict generalization performance from validation-time observations. Our key insight centers on the effectiveness of minimal evaluation data. A small feasible set of evaluation roll-outs collected from a pretrained policy suffices to produce accurate risk certificates when combined with a simple adaptation of PAC-Bayes theory. Specifically, we adopt a recently introduced recursive PAC-Bayes approach, which splits validation data into portions and recursively builds PAC-Bayes bounds on the excess loss of each portion's predictor, using the predictor from the previous portion as a data-informed prior. Our empirical results across multiple locomotion tasks, actor-critic methods, and policy expertise levels demonstrate risk certificates tight enough to be considered for practical use.


Variational bagging: a robust approach for Bayesian uncertainty quantification

arXiv.org Machine Learning

Variational Bayes methods are popular due to their computational efficiency and adaptability to diverse applications. In specifying the variational family, mean-field classes are commonly used, which enables efficient algorithms such as coordinate ascent variational inference (CAVI) but fails to capture parameter dependence and typically underestimates uncertainty. In this work, we introduce a variational bagging approach that integrates a bagging procedure with variational Bayes, resulting in a bagged variational posterior for improved inference. We establish strong theoretical guarantees, including posterior contraction rates for general models and a Bernstein-von Mises (BVM) type theorem that ensures valid uncertainty quantification. Notably, our results show that even when using a mean-field variational family, our approach can recover off-diagonal elements of the limiting covariance structure and provide proper uncertainty quantification. In addition, variational bagging is robust to model misspecification, with covariance structures matching those of the target covariance. We illustrate our variational bagging method in numerical studies through applications to parametric models, finite mixture models, deep neural networks, and variational autoencoders (VAEs).


A Fully Probabilistic Tensor Network for Regularized Volterra System Identification

arXiv.org Machine Learning

Modeling nonlinear systems with Volterra series is challenging because the number of kernel coefficients grows exponentially with the model order. This work introduces Bayesian Tensor Network Volterra kernel machines (BTN-V), extending the Bayesian Tensor Network framework to Volterra system identification. BTN-V represents Volterra kernels using canonical polyadic decomposition, reducing model complexity from O(I^D) to O(DIR). By treating all tensor components and hyperparameters as random variables, BTN-V provides predictive uncertainty estimation at no additional computational cost. Sparsity-inducing hierarchical priors enable automatic rank determination and the learning of fading-memory behavior directly from data, improving interpretability and preventing overfitting. Empirical results demonstrate competitive accuracy, enhanced uncertainty quantification, and reduced computational cost.


PAC-Bayes Meets Online Contextual Optimization

arXiv.org Machine Learning

The predict-then-optimize paradigm bridges online learning and contextual optimization in dynamic environments. Previous works have investigated the sequential updating of predictors using feedback from downstream decisions to minimize regret in the full-information settings. However, existing approaches are predominantly frequentist, rely heavily on gradient-based strategies, and employ deterministic predictors that could yield high variance in practice despite their asymptotic guarantees. This work introduces, to the best of our knowledge, the first Bayesian online contextual optimization framework. Grounded in PAC-Bayes theory and general Bayesian updating principles, our framework achieves $\mathcal{O}(\sqrt{T})$ regret for bounded and mixable losses via a Gibbs posterior, eliminates the dependence on gradients through sequential Monte Carlo samplers, and thereby accommodates nondifferentiable problems. Theoretical developments and numerical experiments substantiate our claims.


Clustering Approaches for Mixed-Type Data: A Comparative Study

arXiv.org Machine Learning

Clustering is widely used in unsupervised learning to find homogeneous groups of observations within a dataset. However, clustering mixed-type data remains a challenge, as few existing approaches are suited for this task. This study presents the state-of-the-art of these approaches and compares them using various simulation models. The compared methods include the distance-based approaches k-prototypes, PDQ, and convex k-means, and the probabilistic methods KAy-means for MIxed LArge data (KAMILA), the mixture of Bayesian networks (MBNs), and latent class model (LCM). The aim is to provide insights into the behavior of different methods across a wide range of scenarios by varying some experimental factors such as the number of clusters, cluster overlap, sample size, dimension, proportion of continuous variables in the dataset, and clusters' distribution. The degree of cluster overlap and the proportion of continuous variables in the dataset and the sample size have a significant impact on the observed performances. When strong interactions exist between variables alongside an explicit dependence on cluster membership, none of the evaluated methods demonstrated satisfactory performance. In our experiments KAMILA, LCM, and k-prototypes exhibited the best performance, with respect to the adjusted rand index (ARI). All the methods are available in R.


Optimization and Regularization Under Arbitrary Objectives

arXiv.org Machine Learning

This study investigates the limitations of applying Markov Chain Monte Carlo (MCMC) methods to arbitrary objective functions, focusing on a two-block MCMC framework which alternates between Metropolis-Hastings and Gibbs sampling. While such approaches are often considered advantageous for enabling data-driven regularization, we show that their performance critically depends on the sharpness of the employed likelihood form. By introducing a sharpness parameter and exploring alternative likelihood formulations proportional to the target objective function, we demonstrate how likelihood curvature governs both in-sample performance and the degree of regularization inferred by the training data. Empirical applications are conducted on reinforcement learning tasks: including a navigation problem and the game of tic-tac-toe. The study concludes with a separate analysis examining the implications of extreme likelihood sharpness on arbitrary objective functions stemming from the classic game of blackjack, where the first block of the two-block MCMC framework is replaced with an iterative optimization step. The resulting hybrid approach achieves performance nearly identical to the original MCMC framework, indicating that excessive likelihood sharpness effectively collapses posterior mass onto a single dominant mode.


Heckman Selection Contaminated Normal Model

arXiv.org Machine Learning

The Heckman selection model is one of the most well-renounced econometric models in the analysis of data with sample selection. This model is designed to rectify sample selection biases based on the assumption of bivariate normal error terms. However, real data diverge from this assumption in the presence of heavy tails and/or atypical observations. Recently, this assumption has been relaxed via a more flexible Student's t-distribution, which has appealing statistical properties. This paper introduces a novel Heckman selection model using a bivariate contaminated normal distribution for the error terms. We present an efficient ECM algorithm for parameter estimation with closed-form expressions at the E-step based on truncated multinormal distribution formulas. The identifiability of the proposed model is also discussed, and its properties have been examined. Through simulation studies, we compare our proposed model with the normal and Student's t counterparts and investigate the finite-sample properties and the variation in missing rate. Results obtained from two real data analyses showcase the usefulness and effectiveness of our model. The proposed algorithms are implemented in the R package HeckmanEM.


Filtering with Self-Attention and Storing with MLP: One-Layer Transformers Can Provably Acquire and Extract Knowledge

arXiv.org Artificial Intelligence

Modern large language models (LLMs) demonstrate exceptional performance on knowledge-intensive tasks, yet the theoretical mechanisms underlying knowledge acquisition (storage and memorization) during pre-training and extraction (retrieval and recall) during inference after fine-tuning remain poorly understood. Although prior theoretical studies have explored these processes through analyses of training dynamics, they overlook critical components essential for a comprehensive theory: (1) the multi-layer perceptron (MLP), empirically identified as the primary module for knowledge storage; (2) out-of-distribution (OOD) adaptivity, which enables LLMs to generalize to unseen scenarios post-pre-training; and (3) next-token prediction, the standard autoregressive objective that encodes knowledge as conditional probabilities. In this work, we introduce, to the best of our knowledge, the first theoretical framework that addresses these limitations by examining the training dynamics of one-layer transformers. Under regularity assumptions, we establish that: (i) transformers attain near-optimal training loss during pre-training, demonstrating effective knowledge acquisition; (ii) given a sufficiently large fine-tuning dataset and appropriate data multiplicity conditions, transformers achieve low generalization error on factual knowledge acquired during pre-training but not revisited in fine-tuning, indicating robust knowledge extraction; and (iii) violation of these conditions leads to elevated generalization error, manifesting as hallucinations. Our analysis encompasses both full fine-tuning and low-rank fine-tuning, yielding insights into the efficacy of practical low-rank adaptation methods. We validate our theoretical findings through experiments on synthetic datasets and the real-world PopQA benchmark, employing GPT-2 and Llama-3.2-1B models.


Adaptive Out-of-Control Point Pattern Detection in Sequential Random Finite Set Observations

arXiv.org Artificial Intelligence

-- In this work we introduce a novel adaptive anomaly detection framework specifically designed for monitoring sequential random finite set (RFS) observations. Our approach effectively distinguishes between In-Control data (normal) and Out-Of-Control data (anomalies) by detecting deviations from the expected statistical behavior of the process. The primary contributions of this study include the development of an innovative RFS-based framework that not only learns the normal behavior of the data-generating process online but also dynamically adapts to behavioral shifts to accurately identify abnormal point patterns. T o achieve this, we introduce a new class of RFS-based posterior distributions, named Power Discounting Posteriors (PD), which facilitate adaptation to systematic changes in data while enabling anomaly detection of point pattern data through a novel predictive posterior density function. The effectiveness of the proposed approach is demonstrated by extensive qualitative and quantitative simulation experiments.


A Robust State Filter Against Unmodeled Process And Measurement Noise

arXiv.org Machine Learning

This paper introduces a novel Kalman filter framework designed to achieve robust state estimation under both process and measurement noise. Inspired by the Weighted Observation Likelihood Filter (WoLF), which provides robustness against measurement outliers, we applied generalized Bayesian approach to build a framework considering both process and measurement noise outliers.