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Machine learning (ML) offers promising new approaches to tackle complex problems and has been increasingly adopted in chemical and materials sciences. Broadly speaking, ML models employ generic mathematical functions and attempt to learn…

Materials Science · Physics 2024-08-21 Jin Dai , Santosh Adhikari , Mingjian Wen

Consistency-based methods have emerged as an effective approach to uncertainty quantification (UQ) in large language models. These methods typically rely on several generations obtained via multinomial sampling, measuring their agreement…

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

While Large Language Models (LLMs) demonstrate impressive capabilities, they still struggle with generating factually incorrect content (i.e., hallucinations). A promising approach to mitigate this issue is enabling models to express…

Computation and Language · Computer Science 2025-06-05 Ruihan Yang , Caiqi Zhang , Zhisong Zhang , Xinting Huang , Sen Yang , Nigel Collier , Dong Yu , Deqing Yang

As large language models continue to be widely developed, robust uncertainty quantification techniques will become crucial for their safe deployment in high-stakes scenarios. In this work, we explore how conformal prediction can be used to…

Computation and Language · Computer Science 2023-07-11 Bhawesh Kumar , Charlie Lu , Gauri Gupta , Anil Palepu , David Bellamy , Ramesh Raskar , Andrew Beam

LLMs' overconfidence, particularly when hallucinating, poses a significant challenge for the deployment of the models in safety-critical settings and makes a reliable estimation of uncertainty necessary. Existing approaches for uncertainty…

Machine Learning · Computer Science 2026-05-26 Hamed Karimi , Vaishali Meyappan , Reza Samavi

Ordinal classification has been widely applied in many high-stakes applications, e.g., medical imaging and diagnosis, where reliable uncertainty quantification (UQ) is essential for decision making. Conformal prediction (CP) is a general UQ…

Machine Learning · Computer Science 2025-11-24 Zijian Zhang , Xinyu Chen , Yuanjie Shi , Liyuan Lillian Ma , Zifan Xu , Yan Yan

Hallucinations are a persistent problem with Large Language Models (LLMs). As these models become increasingly used in high-stakes domains, such as healthcare and finance, the need for effective hallucination detection is crucial. To this…

Computation and Language · Computer Science 2026-01-29 Dylan Bouchard , Mohit Singh Chauhan

Uncertainty quantification (UQ) in Large Language Models (LLMs) is essential for their safe and reliable deployment, particularly in critical applications where incorrect outputs can have serious consequences. Current UQ methods typically…

Computation and Language · Computer Science 2025-04-10 Nicola Cecere , Andrea Bacciu , Ignacio Fernández Tobías , Amin Mantrach

Large Language Models (LLMs) are increasingly employed in real-world applications, driving the need to evaluate the trustworthiness of their generated text. To this end, reliable uncertainty estimation is essential. Leading uncertainty…

Machine Learning · Computer Science 2026-04-21 Lukas Aichberger , Kajetan Schweighofer , Sepp Hochreiter

Uncertainty quantification has emerged as an effective approach to closed-book hallucination detection for LLMs, but existing methods are largely designed for short-form outputs and do not generalize well to long-form generation. We…

Computation and Language · Computer Science 2026-02-20 Dylan Bouchard , Mohit Singh Chauhan , Viren Bajaj , David Skarbrevik

Conformal Prediction (CP) is a distribution-free method for constructing prediction sets with marginal finite-sample coverage guarantees, making it a suitable framework for reliable uncertainty quantification in safety-critical object…

Computer Vision and Pattern Recognition · Computer Science 2026-05-11 Christopher Ries , Moussa Kassem Sbeyti , Nicolas Bianco , Nadja Klein

Uncertainty quantification enables users to assess the reliability of responses generated by large language models (LLMs). We present a novel Question Rephrasing technique to evaluate the input uncertainty of LLMs, which refers to the…

Computation and Language · Computer Science 2024-08-08 Zizhang Chen , Pengyu Hong , Sandeep Madireddy

AI deployed in the real-world should be capable of autonomously adapting to novelties encountered after deployment. Yet, in the field of continual learning, the reliance on novelty and labeling oracles is commonplace albeit unrealistic.…

Machine Learning · Computer Science 2024-12-24 Amanda S. Rios , Ibrahima J. Ndiour , Parual Datta , Jaroslaw Sydir , Omesh Tickoo , Nilesh Ahuja

Uncertainty quantification (UQ) for foundation models is essential to identify and mitigate potential hallucinations in automatically generated text. However, heuristic UQ approaches lack formal guarantees for key metrics such as the false…

Computation and Language · Computer Science 2025-06-26 Zhiyuan Wang , Jinhao Duan , Qingni Wang , Xiaofeng Zhu , Tianlong Chen , Xiaoshuang Shi , Kaidi Xu

Query optimization is critical in relational databases. Recently, numerous Learned Query Optimizers (LQOs) have been proposed, demonstrating superior performance over traditional hand-crafted query optimizers after short training periods.…

Databases · Computer Science 2025-05-06 Hanwen Liu , Shashank Giridhara , Ibrahim Sabek

Conformal Prediction (CP) allows to perform rigorous uncertainty quantification by constructing a prediction set $C(X)$ satisfying $\mathbb{P}(Y \in C(X))\geq 1-\alpha$ for a user-chosen $\alpha \in [0,1]$ by relying on calibration data…

Machine Learning · Computer Science 2023-10-25 David Stutz , Abhijit Guha Roy , Tatiana Matejovicova , Patricia Strachan , Ali Taylan Cemgil , Arnaud Doucet

Reliable uncertainty quantification is a first step towards building explainable, transparent, and accountable artificial intelligent systems. Recent progress in Bayesian deep learning has made such quantification realizable. In this paper,…

Computation and Language · Computer Science 2018-11-20 Yijun Xiao , William Yang Wang

Uncertainty quantification is essential for scientific analysis, as it allows for the evaluation and interpretation of variability and reliability in complex systems and datasets. In their original form, multivariate statistical regression…

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