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We propose a rigorous framework for Uncertainty Quantification (UQ) in which the UQ objectives and the assumptions/information set are brought to the forefront. This framework, which we call \emph{Optimal Uncertainty Quantification} (OUQ),…

Probability · Mathematics 2016-05-20 Houman Owhadi , Clint Scovel , Timothy John Sullivan , Mike McKerns , Michael Ortiz

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

Large language models (LLMs) are rapidly being integrated into computational social science research, yet their blackboxed training and designed stochastic elements in inference pose unique challenges for scientific inquiry. This article…

Computers and Society · Computer Science 2025-12-08 Bolun Zhang , Linzhuo Li , Yunqi Chen , Qinlin Zhao , Zihan Zhu , Xiaoyuan Yi , Xing Xie

The burgeoning field of algorithms with predictions studies the problem of using possibly imperfect machine learning predictions to improve online algorithm performance. While nearly all existing algorithms in this framework make no…

Machine Learning · Computer Science 2024-06-05 Bo Sun , Jerry Huang , Nicolas Christianson , Mohammad Hajiesmaili , Adam Wierman , Raouf Boutaba

As large language models (LLMs) continue to evolve, understanding and quantifying the uncertainty in their predictions is critical for enhancing application credibility. However, the existing literature relevant to LLM uncertainty…

Computation and Language · Computer Science 2024-10-22 Hsiu-Yuan Huang , Yutong Yang , Zhaoxi Zhang , Sanwoo Lee , Yunfang Wu

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 ability to replicate predictions by machine learning (ML) or artificial intelligence (AI) models and results in scientific workflows that incorporate such ML/AI predictions is driven by numerous factors. An uncertainty-aware metric that…

Machine Learning · Computer Science 2023-08-28 Line Pouchard , Kristofer G. Reyes , Francis J. Alexander , Byung-Jun Yoon

Uncertainty quantification (UQ) is a prominent approach for eliciting truthful answers from large language models (LLMs). To date, information-based and consistency-based UQ have been the dominant UQ methods for text generation via LLMs.…

Computation and Language · Computer Science 2026-04-29 Artem Vazhentsev , Lyudmila Rvanova , Ivan Lazichny , Alexander Panchenko , Maxim Panov , Timothy Baldwin , Artem Shelmanov

As the strength of Large Language Models (LLMs) has grown over recent years, so too has interest in their use as the underlying models for autonomous agents. Although LLMs demonstrate emergent abilities and broad expertise across natural…

Artificial Intelligence · Computer Science 2024-12-06 Chris Sypherd , Vaishak Belle

As LLMs are increasingly deployed as agents, reliable assessment of their agentic capabilities has become essential. However, reported benchmark scores often jointly reflect model capability and the implementation choices each benchmark is…

Artificial Intelligence · Computer Science 2026-05-28 Pengyu Zhu , Lijun Li , Yaxing Lyu , Qianxin Luo , Jingyi Yang , Yi Liu , Tingfeng Hui , Xinyu Yuan , Li Sun , Sen Su , Jing Shao

Uncertainty quantification (UQ) has increasing importance in building robust high-performance and generalizable materials property prediction models. It can also be used in active learning to train better models by focusing on getting new…

Materials Science · Physics 2022-11-14 Daniel Varivoda , Rongzhi Dong , Sadman Sadeed Omee , Jianjun Hu

The rise of large language models (LLMs) and their tight integration into our daily life make it essential to dedicate efforts towards their trustworthiness. Uncertainty quantification for LLMs can establish more human trust into their…

Computation and Language · Computer Science 2026-05-06 Daniel Yang , Yao-Hung Hubert Tsai , Makoto Yamada

Large language models (LLMs) could be valuable personal AI agents across various domains, provided they can precisely follow user instructions. However, recent studies have shown significant limitations in LLMs' instruction-following…

Artificial Intelligence · Computer Science 2025-03-31 Juyeon Heo , Miao Xiong , Christina Heinze-Deml , Jaya Narain

The rise of LLM-based agents has opened new frontiers in AI applications, yet evaluating these agents remains a complex and underdeveloped area. This survey provides an in-depth overview of the emerging field of LLM agent evaluation,…

Machine Learning · Computer Science 2025-07-30 Mahmoud Mohammadi , Yipeng Li , Jane Lo , Wendy Yip

Large language models (LLMs) have shown strong capabilities in software engineering tasks, yet most existing LLM-based SWE-Agents mainly tackle well-defined problems using conventional methods, often overlooking alternative or innovative…

Software Engineering · Computer Science 2025-11-06 Wencheng Ye , Yan Liu

Autonomous agents based on Large Language Models (LLMs) that devise plans and tackle real-world challenges have gained prominence.However, tailoring these agents for specialized domains like quantitative investment remains a formidable…

Artificial Intelligence · Computer Science 2024-02-07 Saizhuo Wang , Hang Yuan , Lionel M. Ni , Jian Guo

Despite recent progress in systematic evaluation frameworks, benchmarking the uncertainty of large language models (LLMs) remains a highly challenging task. Existing methods for benchmarking the uncertainty of LLMs face three key…

Computation and Language · Computer Science 2025-06-05 Xunzhi Wang , Zhuowei Zhang , Gaonan Chen , Qiongyu Li , Bitong Luo , Zhixin Han , Haotian Wang , Zhiyu li , Hang Gao , Mengting Hu

Uncertainty quantification (UQ) has emerged as a promising approach for detecting hallucinations and low-quality output of Large Language Models (LLMs). However, obtaining proper uncertainty scores is complicated by the conditional…

Quantifying uncertainty in black-box LLMs is vital for reliable responses and scalable oversight. Existing methods, which gauge a model's uncertainty through evaluating self-consistency in responses to the target query, can be misleading:…

Computation and Language · Computer Science 2025-10-22 Yu Feng , Phu Mon Htut , Zheng Qi , Wei Xiao , Manuel Mager , Nikolaos Pappas , Kishaloy Halder , Yang Li , Yassine Benajiba , Dan Roth

Quantifying uncertainty of machine learning model predictions is essential for reliable decision-making, especially in safety-critical applications. Recently, uncertainty quantification (UQ) theory has advanced significantly, building on a…

Machine Learning · Computer Science 2025-10-01 Alexander Fishkov , Kajetan Schweighofer , Mykyta Ielanskyi , Nikita Kotelevskii , Mohsen Guizani , Maxim Panov
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