Existing methods for differentiable structure learning in discrete data typically assume that the data are generated from specific structural equation models. However, these assumptions may not align with the true data-generating process, which limits the general applicability of such methods. Furthermore, current approaches often ignore the complex dependence structure inherent in discrete data and consider only linear effects. We propose a differentiable structure learning framework that is capable of capturing arbitrary dependencies among discrete variables. We show that although general discrete models are unidentifiable from purely observational data, it is possible to characterize the complete set of compatible parameters and structures. Additionally, we establish identifiability up to Markov equivalence under mild assumptions. We formulate the learning problem as a single differentiable optimization task in the most general form, thereby avoiding the unrealistic simplifications adopted by previous methods. Empirical results demonstrate that our approach effectively captures complex relationships in discrete data.

Operator learning is a recently developed generalization of regression to mappings between functions. It promises to drastically reduce expensive numerical integration of PDEs to fast evaluations of mappings between functional states of a system, i.e., surrogate and reduced-order modeling. Operator learning has already found applications in several areas such as modeling sea ice, combustion, and atmospheric physics. Recent approaches towards integrating uncertainty quantification into the operator models have relied on likelihood based methods to infer parameter distributions from noisy data. However, stochastic operators may yield actions from which a likelihood is difficult or impossible to construct. In this paper, we introduce, GenUQ, a measure-theoretic approach to UQ that avoids constructing a likelihood by introducing a generative hyper-network model that produces parameter distributions consistent with observed data. We demonstrate that GenUQ outperforms other UQ methods in three example problems, recovering a manufactured operator, learning the solution operator to a stochastic elliptic PDE, and modeling the failure location of porous steel under tension.

Sparse Bayesian learning (SBL) associates to each weight in the underlying linear model a hyperparameter by assuming that each weight is Gaussian distributed with zero mean and precision (inverse variance) equal to its associated hyperparameter. The method estimates the hyperparameters by marginalizing out the weights and performing (marginalized) maximum likelihood (ML) estimation. SBL returns many hyperparameter estimates to diverge to infinity, effectively setting the estimates of the corresponding weights to zero (i.e., pruning the corresponding weights from the model) and thereby yielding a sparse estimate of the weight vector. In this letter, we analyze the marginal likelihood as function of a single hyperparameter while keeping the others fixed, when the Gaussian assumptions on the noise samples and the weight distribution that underlies the derivation of SBL are weakened. We derive sufficient conditions that lead, on the one hand, to finite hyperparameter estimates and, on the other, to infinite ones. Finally, we show that in the Gaussian case, the two conditions are complementary and coincide with the pruning condition of fast SBL (F-SBL), thereby providing additional insights into this algorithm.

Learning, whether natural or artificial, is a process of selection. It starts with a set of candidate options and selects the more successful ones. In the case of machine learning the selection is done based on empirical estimates of prediction accuracy of candidate prediction rules on some data. Due to randomness of data sampling the empirical estimates are inherently noisy, leading to selection under uncertainty. The book provides statistical tools to obtain theoretical guarantees on the outcome of selection under uncertainty. We start with concentration of measure inequalities, which are the main statistical instrument for controlling how much an empirical estimate of expectation of a function deviates from the true expectation. The book covers a broad range of inequalities, including Markov's, Chebyshev's, Hoeffding's, Bernstein's, Empirical Bernstein's, Unexpected Bernstein's, kl, and split-kl. We then study the classical (offline) supervised learning and provide a range of tools for deriving generalization bounds, including Occam's razor, Vapnik-Chervonenkis analysis, and PAC-Bayesian analysis. The latter is further applied to derive generalization guarantees for weighted majority votes. After covering the offline setting, we turn our attention to online learning. We present the space of online learning problems characterized by environmental feedback, environmental resistance, and structural complexity. A common performance measure in online learning is regret, which compares performance of an algorithm to performance of the best prediction rule in hindsight, out of a restricted set of prediction rules. We present tools for deriving regret bounds in stochastic and adversarial environments, and under full information and bandit feedback.

In regression and causal inference, controlled subgroup selection aims to identify, with inferential guarantees, a subgroup (defined as a subset of the covariate space) on which the average response or treatment effect is above a given threshold. E.g., in a clinical trial, it may be of interest to find a subgroup with a positive average treatment effect. However, existing methods either lack inferential guarantees, heavily restrict the search for the subgroup, or sacrifice efficiency by naive data splitting. We propose a novel framework called chiseling that allows the analyst to interactively refine and test a candidate subgroup by iteratively shrinking it. The sole restriction is that the shrinkage direction only depends on the points outside the current subgroup, but otherwise the analyst may leverage any prior information or machine learning algorithm. Despite this flexibility, chiseling controls the probability that the discovered subgroup is null (e.g., has a non-positive average treatment effect) under minimal assumptions: for example, in randomized experiments, this inferential validity guarantee holds under only bounded moment conditions. When applied to a variety of simulated datasets and a real survey experiment, chiseling identifies substantially better subgroups than existing methods with inferential guarantees.

Multimodal electronic health record (EHR) data is useful for disease risk prediction based on medical domain knowledge. However, general medical knowledge must be adapted to specific healthcare settings and patient populations to achieve practical clinical use. Additionally, risk prediction systems must handle uncertainty from incomplete data and non-deterministic health outcomes while remaining explainable. These challenges can be alleviated by the integration of knowledge graphs (KGs) and Bayesian networks (BNs). We present a novel approach for constructing BNs from ontology-based KGs and multimodal EHR data for explainable disease risk prediction. Through an application use case of atrial fibrillation and real-world EHR data, we demonstrate that the approach balances generalised medical knowledge with patient-specific context, effectively handles uncertainty, is highly explainable, and achieves good predictive performance.

While Large Language Models (LLMs) have demonstrated impressive capabilities, their output quality remains inconsistent across various application scenarios, making it difficult to identify trustworthy responses, especially in complex tasks requiring multi-step reasoning. In this paper, we propose a Token-level Uncertainty estimation framework for Reasoning (TokUR) that enables LLMs to self-assess and self-improve their responses in mathematical reasoning. Specifically, we introduce low-rank random weight perturbation during LLM decoding to generate predictive distributions for token-level uncertainty estimation, and we aggregate these uncertainty quantities to capture the semantic uncertainty of generated responses. Experiments on mathematical reasoning datasets of varying difficulty demonstrate that TokUR exhibits a strong correlation with answer correctness and model robustness, and the uncertainty signals produced by TokUR can be leveraged to enhance the model's reasoning performance at test time. These results highlight the effectiveness of TokUR as a principled and scalable approach for improving the reliability and interpretability of LLMs in challenging reasoning tasks.

Large Language Models (LLMs) have been transformative across many domains. However, hallucination -- confidently outputting incorrect information -- remains one of the leading challenges for LLMs. This raises the question of how to accurately assess and quantify the uncertainty of LLMs. Extensive literature on traditional models has explored Uncertainty Quantification (UQ) to measure uncertainty and employed calibration techniques to address the misalignment between uncertainty and accuracy. While some of these methods have been adapted for LLMs, the literature lacks an in-depth analysis of their effectiveness and does not offer a comprehensive benchmark to enable insightful comparison among existing solutions. In this work, we fill this gap via a systematic survey of representative prior works on UQ and calibration for LLMs and introduce a rigorous benchmark. Using two widely used reliability datasets, we empirically evaluate six related methods, which justify the significant findings of our review. Finally, we provide outlooks for key future directions and outline open challenges. To the best of our knowledge, this survey is the first dedicated study to review the calibration methods and relevant metrics for LLMs.

Recent advances in Bayesian probability theory and its application to cognitive science in combination with the development of a new generation of computational tools and methods for probabilistic computation have led to a 'probabilistic turn' in pragmatics and semantics. In particular, the framework of Rational Speech Act theory has been developed to model broadly Gricean accounts of pragmatic phenomena in Bayesian terms, starting with fairly simple reference games and covering ever more complex communicative exchanges such as verbal syllogistic reasoning. This paper explores in which way a similar Bayesian approach might be applied to relevance-theoretic pragmatics (Sperber & Wilson, 1995) by study a paradigmatic pragmatic phenomenon: the communication of implicit meaning by ways of (conversational) implicatures.

Despite widespread success in language understanding and generation, large language models (LLMs) exhibit unclear and often inconsistent behavior when faced with tasks that require probabilistic reasoning. In this work, we present the first comprehensive study of the reasoning capabilities of LLMs over explicit discrete probability distributions. Given observations from a probability distribution, we evaluate models on three carefully designed tasks, mode identification, maximum likelihood estimation, and sample generation, by prompting them to provide responses to queries about either the joint distribution or its conditionals. These tasks thus probe a range of probabilistic skills, including frequency analysis, marginalization, and generative behavior. Through comprehensive empirical evaluations, we demonstrate that there exists a clear performance gap between smaller and larger models, with the latter demonstrating stronger inference and surprising capabilities in sample generation. Furthermore, our investigations reveal notable limitations, including sensitivity to variations in the notation utilized to represent probabilistic outcomes and performance degradation of over 60% as context length increases. Together, our results provide a detailed understanding of the probabilistic reasoning abilities of LLMs and identify key directions for future improvement.