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Large language models (LLMs) exhibit impressive fluency, but often produce critical errors known as "hallucinations". Uncertainty quantification (UQ) methods are a promising tool for coping with this fundamental shortcoming. Yet, existing…

Large language models (LLMs) produce outputs with varying levels of uncertainty, and, just as often, varying levels of correctness; making their practical reliability far from guaranteed. To quantify this uncertainty, we systematically…

Computation and Language · Computer Science 2025-10-24 Christian Hobelsberger , Theresa Winner , Andreas Nawroth , Oliver Mitevski , Anna-Carolina Haensch

Uncertainty Quantification (UQ) is essential in probabilistic machine learning models, particularly for assessing the reliability of predictions. In this paper, we present a systematic framework for estimating both epistemic and aleatoric…

Machine Learning · Statistics 2025-09-11 Marzieh Ajirak , Anand Ravishankar , Petar M. Djuric

Despite demonstrating impressive capabilities, Large Language Models (LLMs) still often struggle to accurately express the factual knowledge they possess, especially in cases where the LLMs' knowledge boundaries are ambiguous. To improve…

Computation and Language · Computer Science 2025-05-26 Boyang Xue , Fei Mi , Qi Zhu , Hongru Wang , Rui Wang , Sheng Wang , Erxin Yu , Xuming Hu , Kam-Fai Wong

Machine learning (ML) is often viewed as a powerful data analysis tool that is easy to learn because of its black-box nature. Yet this very nature also makes it difficult to quantify confidence in predictions extracted from ML models, and…

Machine Learning · Computer Science 2025-09-30 Paul Patrone , Anthony Kearsley

Large Language Models (LLMs) exhibit remarkable fluency and competence across various natural language tasks. However, recent research has highlighted their sensitivity to variations in input prompts. To deploy LLMs in a safe and reliable…

Computation and Language · Computer Science 2025-04-30 Harsh Raj , Vipul Gupta , Domenic Rosati , Subhabrata Majumdar

The proliferation of open-source Large Language Models (LLMs) from various institutions has highlighted the urgent need for comprehensive evaluation methods. However, current evaluation platforms, such as the widely recognized HuggingFace…

Computation and Language · Computer Science 2024-11-01 Fanghua Ye , Mingming Yang , Jianhui Pang , Longyue Wang , Derek F. Wong , Emine Yilmaz , Shuming Shi , Zhaopeng Tu

With the widespread application of Large Language Models (LLMs) to various domains, concerns regarding the trustworthiness of LLMs in safety-critical scenarios have been raised, due to their unpredictable tendency to hallucinate and…

Computation and Language · Computer Science 2024-11-04 Xin Qiu , Risto Miikkulainen

Uncertainty quantification (UQ) is an important component of molecular property prediction, particularly for drug discovery applications where model predictions direct experimental design and where unanticipated imprecision wastes valuable…

Machine Learning · Computer Science 2020-05-21 Lior Hirschfeld , Kyle Swanson , Kevin Yang , Regina Barzilay , Connor W. Coley

Accurately quantifying a large language model's (LLM) predictive uncertainty is crucial for judging the reliability of its answers. While most existing research focuses on short, directly answerable questions with closed-form outputs (e.g.,…

Computation and Language · Computer Science 2025-08-08 Yinghao Li , Rushi Qiang , Lama Moukheiber , Chao Zhang

Uncertainty quantification (UQ) is crucial in computational fluid dynamics to assess the reliability and robustness of simulations, given the uncertainties in input parameters. OpenLB is an open-source lattice Boltzmann method library…

Large Language Models have emerged as prime candidates to tackle misinformation mitigation. However, existing approaches struggle with hallucinations and overconfident predictions. We propose an uncertainty quantification framework that…

Computation and Language · Computer Science 2024-02-01 Mauricio Rivera , Jean-François Godbout , Reihaneh Rabbany , Kellin Pelrine

Large Language Models (LLMs) are increasingly used as powerful tools for several high-stakes natural language processing (NLP) applications. Recent prompting works claim to elicit intermediate reasoning steps and key tokens that serve as…

Computation and Language · Computer Science 2023-11-08 Sree Harsha Tanneru , Chirag Agarwal , Himabindu Lakkaraju

The practice of uncertainty quantification (UQ) validation, notably in machine learning for the physico-chemical sciences, rests on several graphical methods (scattering plots, calibration curves, reliability diagrams and confidence curves)…

Chemical Physics · Physics 2023-03-31 Pascal Pernot

Uncertainty Quantification (UQ) is pivotal in enhancing the robustness, reliability, and interpretability of Machine Learning (ML) systems for healthcare, optimizing resources and improving patient care. Despite the emergence of ML-based…

Machine Learning · Computer Science 2025-05-07 L. Julián Lechuga López , Shaza Elsharief , Dhiyaa Al Jorf , Firas Darwish , Congbo Ma , Farah E. Shamout

While past works have shown how uncertainty quantification can be applied to large language model (LLM) outputs, the question of whether resulting uncertainty guarantees still hold within sub-groupings of data remains open. In our work,…

Computation and Language · Computer Science 2025-06-13 Terrance Liu , Zhiwei Steven Wu

Large language models(LLMs) are increasingly expanding their real-world applications across domains, e.g., question answering, autonomous driving, and automatic software development. Despite this achievement, LLMs, as data-driven systems,…

Artificial Intelligence · Computer Science 2025-12-09 Xianzong Wu , Xiaohong Li , Lili Quan , Qiang Hu

LLM-as-a-Judge is a widely used method for evaluating the performance of Large Language Models (LLMs) across various tasks. We address the challenge of quantifying the uncertainty of LLM-as-a-Judge evaluations. While uncertainty…

Large language models (LLMs) have demonstrated remarkable capabilities across various tasks. However, these models could offer biased, hallucinated, or non-factual responses camouflaged by their fluency and realistic appearance. Uncertainty…

Computation and Language · Computer Science 2025-05-30 Zhiqiu Xia , Jinxuan Xu , Yuqian Zhang , Hang Liu

Despite the increasing demand for safer machine learning practices, the use of Uncertainty Quantification (UQ) methods in production remains limited. This limitation is exacerbated by the challenge of validating UQ methods in absence of UQ…

Machine Learning · Computer Science 2025-03-03 Arthur Pignet , Chiara Regniez , John Klein