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 Bayesian Inference


LLMs are Bayesian, in Expectation, not in Realization

arXiv.org Machine Learning

Large language models demonstrate remarkable in-context learning capabilities, adapting to new tasks without parameter updates. While this phenomenon has been successfully modeled as implicit Bayesian inference, recent empirical findings reveal a fundamental contradiction: transformers systematically violate the martingale property, a cornerstone requirement of Bayesian updating on exchangeable data. This violation challenges the theoretical foundations underlying uncertainty quantification in critical applications. Our theoretical analysis establishes four key results: (1) positional encodings induce martingale violations of order $Θ(\log n / n)$; (2) transformers achieve information-theoretic optimality with excess risk $O(n^{-1/2})$ in expectation over orderings; (3) the implicit posterior representation converges to the true Bayesian posterior in the space of sufficient statistics; and (4) we derive the optimal chain-of-thought length as $k^* = Θ(\sqrt{n}\log(1/\varepsilon))$ with explicit constants, providing a principled approach to reduce inference costs while maintaining performance. Empirical validation on GPT-3 confirms predictions (1)-(3), with transformers reaching 99\% of theoretical entropy limits within 20 examples. Our framework provides practical methods for extracting calibrated uncertainty estimates from position-aware architectures and optimizing computational efficiency in deployment.


Generalized Linear Bandits: Almost Optimal Regret with One-Pass Update

arXiv.org Machine Learning

We study the generalized linear bandit (GLB) problem, a contextual multi-armed bandit framework that extends the classical linear model by incorporating a non-linear link function, thereby modeling a broad class of reward distributions such as Bernoulli and Poisson. While GLBs are widely applicable to real-world scenarios, their non-linear nature introduces significant challenges in achieving both computational and statistical efficiency. Existing methods typically trade off between two objectives, either incurring high per-round costs for optimal regret guarantees or compromising statistical efficiency to enable constant-time updates. In this paper, we propose a jointly efficient algorithm that attains a nearly optimal regret bound with $\mathcal{O}(1)$ time and space complexities per round. The core of our method is a tight confidence set for the online mirror descent (OMD) estimator, which is derived through a novel analysis that leverages the notion of mix loss from online prediction. The analysis shows that our OMD estimator, even with its one-pass updates, achieves statistical efficiency comparable to maximum likelihood estimation, thereby leading to a jointly efficient optimistic method.


From Observational Data to Clinical Recommendations: A Causal Framework for Estimating Patient-level Treatment Effects and Learning Policies

arXiv.org Machine Learning

We propose a framework for building patient-specific treatment recommendation models, building on the large recent literature on learning patient-level causal models and inspired by the target trial paradigm of Hernan and Robins. We focus on safety and validity, including the crucial issue of causal identification when using observational data. We do not provide a specific model, but rather a way to integrate existing methods and know-how into a practical pipeline. We further provide a real world use-case of treatment optimization for patients with heart failure who develop acute kidney injury during hospitalization. The results suggest our pipeline can improve patient outcomes over the current treatment regime.


Fiducial Matching: Differentially Private Inference for Categorical Data

arXiv.org Machine Learning

The task of statistical inference, which includes the building of confidence intervals and tests for parameters and effects of interest to a researcher, is still an open area of investigation in a differentially private (DP) setting. Indeed, in addition to the randomness due to data sampling, DP delivers another source of randomness consisting of the noise added to protect an individual's data from being disclosed to a potential attacker. As a result of this convolution of noises, in many cases it is too complicated to determine the stochastic behavior of the statistics and parameters resulting from a DP procedure. In this work, we contribute to this line of investigation by employing a simulation-based matching approach, solved through tools from the fiducial framework, which aims to replicate the data generation pipeline (including the DP step) and retrieve an approximate distribution of the estimates resulting from this pipeline. For this purpose, we focus on the analysis of categorical (nominal) data that is common in national surveys, for which sensitivity is naturally defined, and on additive privacy mechanisms. We prove the validity of the proposed approach in terms of coverage and highlight its good computational and statistical performance for different inferential tasks in simulated and applied data settings.


Fast Variational Bayes for Large Spatial Data

arXiv.org Machine Learning

Recent variational Bayes methods for geospatial regression, proposed as an alternative to computationally expensive Markov chain Monte Carlo (MCMC) sampling, have leveraged Nearest Neighbor Gaussian processes (NNGP) to achieve scalability. Yet, these variational methods remain inferior in accuracy and speed compared to spNNGP, the state-of-the-art MCMC-based software for NNGP. We introduce spVarBayes, a suite of fast variational Bayesian approaches for large-scale geospatial data analysis using NNGP. Our contributions are primarily computational. We replace auto-differentiation with a combination of calculus of variations, closed-form gradient updates, and linear response corrections for improved variance estimation. We also accommodate covariates (fixed effects) in the model and offer inference on the variance parameters. Simulation experiments demonstrate that we achieve comparable accuracy to spNNGP but with reduced computational costs, and considerably outperform existing variational inference methods in terms of both accuracy and speed. Analysis of a large forest canopy height dataset illustrates the practical implementation of proposed methods and shows that the inference results are consistent with those obtained from the MCMC approach. The proposed methods are implemented in publicly available Github R-package spVarBayes.


Sparse Identification of Nonlinear Dynamics with Conformal Prediction

arXiv.org Artificial Intelligence

The Sparse Identification of Nonlinear Dynamics (SINDy) is a method for discovering nonlinear dynamical system models from data. Quantifying uncertainty in SINDy models is essential for assessing their reliability, particularly in safety-critical applications. While various uncertainty quantification methods exist for SINDy, including Bayesian and ensemble approaches, this work explores the integration of Conformal Prediction, a framework that can provide valid prediction intervals with coverage guarantees based on minimal assumptions like data exchangeability. We introduce three applications of conformal prediction with Ensemble-SINDy (E-SINDy): (1) quantifying uncertainty in time series prediction, (2) model selection based on library feature importance, and (3) quantifying the uncertainty of identified model coefficients using feature conformal prediction. We demonstrate the three applications on stochastic predator-prey dynamics and several chaotic dynamical systems. We show that conformal prediction methods integrated with E-SINDy can reliably achieve desired target coverage for time series forecasting, effectively quantify feature importance, and produce more robust uncertainty intervals for model coefficients, even under non-Gaussian noise, compared to standard E-SINDy coefficient estimates.


Synthetic Tabular Data Generation: A Comparative Survey for Modern Techniques

arXiv.org Artificial Intelligence

As privacy regulations become more stringent and access to real-world data becomes increasingly constrained, synthetic data generation has emerged as a vital solution, especially for tabular datasets, which are central to domains like finance, healthcare and the social sciences. This survey presents a comprehensive and focused review of recent advances in synthetic tabular data generation, emphasizing methods that preserve complex feature relationships, maintain statistical fidelity, and satisfy privacy requirements. A key contribution of this work is the introduction of a novel taxonomy based on practical generation objectives, including intended downstream applications, privacy guarantees, and data utility, directly informing methodological design and evaluation strategies. Therefore, this review prioritizes the actionable goals that drive synthetic data creation, including conditional generation and risk-sensitive modeling. Additionally, the survey proposes a benchmark framework to align technical innovation with real-world demands. By bridging theoretical foundations with practical deployment, this work serves as both a roadmap for future research and a guide for implementing synthetic tabular data in privacy-critical environments.


On the Need for a Statistical Foundation in Scenario-Based Testing of Autonomous Vehicles

arXiv.org Artificial Intelligence

Scenario-based testing has emerged as a common method for autonomous vehicles (AVs) safety assessment, offering a more efficient alternative to mile-based testing by focusing on high-risk scenarios. However, fundamental questions persist regarding its stopping rules, residual risk estimation, debug effectiveness, and the impact of simulation fidelity on safety claims. This paper argues that a rigorous statistical foundation is essential to address these challenges and enable rigorous safety assurance. By drawing parallels between AV testing and established software testing methods, we identify shared research gaps and reusable solutions. We propose proof-of-concept models to quantify the probability of failure per scenario (\textit{pfs}) and evaluate testing effectiveness under varying conditions. Our analysis reveals that neither scenario-based nor mile-based testing universally outperforms the other. Furthermore, we give an example of formal reasoning about alignment of synthetic and real-world testing outcomes, a first step towards supporting statistically defensible simulation-based safety claims.


Fast and Scalable Game-Theoretic Trajectory Planning with Intentional Uncertainties

arXiv.org Artificial Intelligence

Trajectory planning involving multi-agent interactions has been a long-standing challenge in the field of robotics, primarily burdened by the inherent yet intricate interactions among agents. While game-theoretic methods are widely acknowledged for their effectiveness in managing multi-agent interactions, significant impediments persist when it comes to accommodating the intentional uncertainties of agents. In the context of intentional uncertainties, the heavy computational burdens associated with existing game-theoretic methods are induced, leading to inefficiencies and poor scalability. In this paper, we propose a novel game-theoretic interactive trajectory planning method to effectively address the intentional uncertainties of agents, and it demonstrates both high efficiency and enhanced scalability. As the underpinning basis, we model the interactions between agents under intentional uncertainties as a general Bayesian game, and we show that its agent-form equivalence can be represented as a potential game under certain minor assumptions. The existence and attainability of the optimal interactive trajectories are illustrated, as the corresponding Bayesian Nash equilibrium can be attained by optimizing a unified optimization problem. Additionally, we present a distributed algorithm based on the dual consensus alternating direction method of multipliers (ADMM) tailored to the parallel solving of the problem, thereby significantly improving the scalability. The attendant outcomes from simulations and experiments demonstrate that the proposed method is effective across a range of scenarios characterized by general forms of intentional uncertainties. Its scalability surpasses that of existing centralized and decentralized baselines, allowing for real-time interactive trajectory planning in uncertain game settings.


Canonical Bayesian Linear System Identification

arXiv.org Machine Learning

Standard Bayesian approaches for linear time-invariant (LTI) system identification are hindered by parameter non-identifiability; the resulting complex, multi-modal posteriors make inference inefficient and impractical. We solve this problem by embedding canonical forms of LTI systems within the Bayesian framework. We rigorously establish that inference in these minimal parameterizations fully captures all invariant system dynamics (e.g., transfer functions, eigenvalues, predictive distributions of system outputs) while resolving identifiability. This approach unlocks the use of meaningful, structure-aware priors (e.g., enforcing stability via eigenvalues) and ensures conditions for a Bernstein--von Mises theorem -- a link between Bayesian and frequentist large-sample asymptotics that is broken in standard forms. Extensive simulations with modern MCMC methods highlight advantages over standard parameterizations: canonical forms achieve higher computational efficiency, generate interpretable and well-behaved posteriors, and provide robust uncertainty estimates, particularly from limited data.