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Contrastive representation learning is a modern paradigm for learning representations of unlabeled data via augmentations -- precisely, contrastive models learn to embed semantically similar pairs of samples (positive pairs) closer than…

Machine Learning · Statistics 2026-01-01 Anna Van Elst , Debarghya Ghoshdastidar

This paper presents four theoretical contributions that improve the usability of risk certificates for neural networks based on PAC-Bayes bounds. First, two bounds on the KL divergence between Bernoulli distributions enable the derivation…

Machine Learning · Computer Science 2025-11-12 Diego García-Pérez , Emilio Parrado-Hernández , John Shawe-Taylor

Uncertainty quantification (UQ) methods for Large Language Models (LLMs) encompass a variety of approaches, with two major types being particularly prominent: information-based, which focus on model confidence expressed as token…

Computation and Language · Computer Science 2025-12-10 Roman Vashurin , Maiya Goloburda , Albina Ilina , Aleksandr Rubashevskii , Preslav Nakov , Artem Shelmanov , Maxim Panov

Despite their widespread applications, Large Language Models (LLMs) often struggle to express uncertainty, posing a challenge for reliable deployment in high stakes and safety critical domains like clinical diagnostics. Existing standard…

Machine Learning · Computer Science 2025-09-25 Mridul Sharma , Adeetya Patel , Zaneta D' Souza , Samira Abbasgholizadeh Rahimi , Siva Reddy , Sreenath Madathil

Rigorous statistical evaluations of large language models (LLMs), including valid error bars and significance testing, are essential for meaningful and reliable performance assessment. Currently, when such statistical measures are reported,…

Artificial Intelligence · Computer Science 2025-05-29 Sam Bowyer , Laurence Aitchison , Desi R. Ivanova

Prediction sets provide a theoretically grounded framework for quantifying uncertainty in machine learning models. Adapting them to structured generation tasks, in particular, large language model (LLM) based code generation, remains a…

Software Engineering · Computer Science 2026-05-13 Senrong Xu , Yuhao Tan , Yanke Zhou , Guangyuan Wu , Zenan Li , Yuan Yao , Taolue Chen , Feng Xu , Xiaoxing Ma

We investigate the problem of establishing finite-time probabilistic safety guarantees for discrete-time stochastic dynamical systems subject to unknown disturbance distributions, using barrier certificate methods. Our approach develops a…

Systems and Control · Electrical Eng. & Systems 2026-03-03 Taoran Wu , Dominik Wagner , C. -H. Luke Ong , Bai Xue

The SmoothLLM defense provides a certification guarantee against jailbreaking attacks, but it relies on a strict "k-unstable" assumption that rarely holds in practice. This strong assumption can limit the trustworthiness of the provided…

Machine Learning · Computer Science 2026-03-10 Adarsh Kumarappan , Ayushi Mehrotra

This paper investigates the problem of safety certification for black-box discrete-time stochastic systems, where both the system dynamics and disturbance distributions are unknown, and only sampled data are available. Under such limited…

Systems and Control · Electrical Eng. & Systems 2026-02-17 Taoran Wu , Dominik Wagner , Jingduo Pan , Luke Ong , Arvind Easwaran , Bai Xue

We introduce Sequential-EDFL (Empirical Dynamic Formal Lift), which applies anytime-valid sequential testing to language model generation stopping. Our approach tracks information lift, defined as the log-likelihood ratio between the full…

Machine Learning · Computer Science 2026-01-06 Sanjeda Akter , Ibne Farabi Shihab , Anuj Sharma

Large language models (LLMs) exhibit probabilistic output characteristics, yet conventional evaluation frameworks rely on deterministic scalar metrics. This study introduces a Bayesian approach for LLM capability assessment that integrates…

Computation and Language · Computer Science 2025-05-01 Xiao Xiao , Yu Su , Sijing Zhang , Zhang Chen , Yadong Chen , Tian Liu

A unified framework for learning under covariate shift is presented, in which a constrained density-ratio network approximates the Radon-Nikodym derivative $r^\star = dP/dQ$ and feeds an anytime PAC-Bayes generalization certificate. A…

Machine Learning · Computer Science 2026-05-25 Paulo Akira F. Enabe

Inductive Conformal Prediction (ICP) provides a practical and effective approach for equipping deep learning models with uncertainty estimates in the form of set-valued predictions which are guaranteed to contain the ground truth with high…

Machine Learning · Computer Science 2023-12-11 Apoorva Sharma , Sushant Veer , Asher Hancock , Heng Yang , Marco Pavone , Anirudha Majumdar

Large language models for code generation increasingly rely on synthetic data, where both problem solutions and verification tests are generated by models. While this enables scalable data creation, it introduces a previously unexplored…

Software Engineering · Computer Science 2025-09-26 Srishti Gureja , Elena Tommasone , Jingyi He , Sara Hooker , Matthias Gallé , Marzieh Fadaee

Large Language Models (LLMs) have shown remarkable progress in multiple-choice question answering (MCQA), but their inherent unreliability, such as hallucination and overconfidence, limits their application in high-risk domains. To address…

Computation and Language · Computer Science 2025-08-08 Guang Yang , Xinyang Liu

We propose a novel class of deep stochastic predictors for classifying metric data on graphs within the PAC-Bayes risk certification paradigm. Classifiers are realized as linearly parametrized deep assignment flows with random initial…

Machine Learning · Statistics 2022-02-21 Bastian Boll , Alexander Zeilmann , Stefania Petra , Christoph Schnörr

Large language models (LLMs) are notorious for hallucinating, i.e., producing erroneous claims in their output. Such hallucinations can be dangerous, as occasional factual inaccuracies in the generated text might be obscured by the rest of…

This paper presents an empirical study regarding training probabilistic neural networks using training objectives derived from PAC-Bayes bounds. In the context of probabilistic neural networks, the output of training is a probability…

Machine Learning · Computer Science 2021-09-23 María Pérez-Ortiz , Omar Rivasplata , John Shawe-Taylor , Csaba Szepesvári

In high energy physics, a widely used method to treat systematic uncertainties in confidence interval calculations is based on combining a frequentist construction of confidence belts with a Bayesian treatment of systematic uncertainties.…

Data Analysis, Statistics and Probability · Physics 2009-11-10 Fredrik Tegenfeldt , Jan Conrad

Large language models (LLMs) are increasingly deployed in agentic systems, where a fundamental task is mapping user intents to relevant external tools. Errors in tool selection can have severe outcomes, such as unauthorized data access,…

Cryptography and Security · Computer Science 2026-05-14 Jehyeok Yeon , Isha Chaudhary , Gagandeep Singh
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