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Uncertainty Quantification (UQ) research has primarily focused on closed-book factual question answering (QA), while contextual QA remains unexplored, despite its importance in real-world applications. In this work, we focus on UQ for the…

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

Despite significant advancements in the general capability of large language models (LLMs), they continue to struggle with consistent and accurate reasoning, especially in complex tasks such as mathematical and code reasoning. One key…

Machine Learning · Computer Science 2024-10-10 Zhenwen Liang , Ye Liu , Tong Niu , Xiangliang Zhang , Yingbo Zhou , Semih Yavuz

Despite the massive advancements in large language models (LLMs), they still suffer from producing plausible but incorrect responses. To improve the reliability of LLMs, recent research has focused on uncertainty quantification to predict…

Artificial Intelligence · Computer Science 2025-04-01 Yongjin Yang , Haneul Yoo , Hwaran Lee

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

While Large Language Models (LLMs) have demonstrated strong math reasoning abilities through Reinforcement Learning with *Verifiable Rewards* (RLVR), many advanced mathematical problems are proof-based, with no guaranteed way to determine…

Computation and Language · Computer Science 2026-02-20 Haotong Yang , Zitong Wang , Shijia Kang , Siqi Yang , Wenkai Yu , Xu Niu , Yike Sun , Yi Hu , Zhouchen Lin , Muhan Zhang

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

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

While retrieval-augmented generation (RAG) significantly improves the factual reliability of LLMs, it does not eliminate hallucinations, so robust uncertainty quantification (UQ) remains essential. In this paper, we reveal that standard…

Artificial Intelligence · Computer Science 2026-03-24 Alexandra Bazarova , Andrei Volodichev , Daria Kotova , Alexey Zaytsev

Multimodal Large Language Models (MLLMs) demonstrate remarkable capabilities but often struggle with complex, multi-step mathematical reasoning, where minor errors in visual perception or logical deduction can lead to complete failure.…

Computation and Language · Computer Science 2025-08-08 Jianghangfan Zhang , Yibo Yan , Kening Zheng , Xin Zou , Song Dai , Xuming Hu

Deep neural networks (DNNs) have achieved tremendous success in computer vision, natural language processing, and scientific and engineering domains. However, DNNs can make unexpected, incorrect, yet overconfident predictions, leading to…

Machine Learning · Computer Science 2025-12-16 Wenchong He , Zhe Jiang , Tingsong Xiao , Zelin Xu , Yukun Li

Uncertainty quantification (UQ) is the process of systematically determining and characterizing the degree of confidence in computational model predictions. In the context of systems biology, especially with dynamic models, UQ is crucial…

Machine Learning · Statistics 2024-10-29 Alberto Portela , Julio R. Banga , Marcos Matabuena

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) enhanced with retrieval, an approach known as Retrieval-Augmented Generation (RAG), have achieved strong performance in open-domain question answering. However, RAG remains prone to hallucinations: factually…

On top of machine learning models, uncertainty quantification (UQ) functions as an essential layer of safety assurance that could lead to more principled decision making by enabling sound risk assessment and management. The safety and…

Machine Learning · Computer Science 2024-03-28 Venkat Nemani , Luca Biggio , Xun Huan , Zhen Hu , Olga Fink , Anh Tran , Yan Wang , Xiaoge Zhang , Chao Hu

This review is designed to introduce mathematicians and computational scientists to quantum computing (QC) through the lens of uncertainty quantification (UQ) by presenting a mathematically rigorous and accessible narrative for…

Quantum Physics · Physics 2026-03-30 Ryan Bennink , Olena Burkovska , Konstantin Pieper , Jorge Ramirez , Elaine Wong

Dynamic Retrieval-Augmented Generation adaptively determines when to retrieve during generation to mitigate hallucinations in large language models (LLMs). However, existing methods rely on model-internal signals (e.g., logits, entropy),…

Computation and Language · Computer Science 2026-05-19 Dehai Min , Kailin Zhang , Tongtong Wu , Lu Cheng

Process reward models (PRMs) that provide dense, step-level feedback have shown promise for reinforcement learning, yet their adoption remains limited by the need for expensive step-level annotations or ground truth references. We propose…

Machine Learning · Computer Science 2025-12-04 Salman Rahman , Sruthi Gorantla , Arpit Gupta , Swastik Roy , Nanyun Peng , Yang Liu

Large language models (LLMs) show remarkable promise for democratizing automated reasoning by generating formal specifications. However, a fundamental tension exists: LLMs are probabilistic, while formal verification demands deterministic…

We evaluate uncertainty quantification (UQ) methods for deep learning applied to liquid argon time projection chamber (LArTPC) physics analysis tasks. As deep learning applications enter widespread usage among physics data analysis, neural…

High Energy Physics - Experiment · Physics 2023-11-02 Dae Heun Koh , Aashwin Mishra , Kazuhiro Terao