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Uncertainty Quantification (UQ) is a key discipline for computational modeling of complex systems, enhancing reliability of engineering simulations. In crashworthiness, having an accurate assessment of the behavior of the model uncertainty…

Methodology · Statistics 2021-09-17 Marc Rocas , Alberto García-González , Sergio Zlotnik , Xabier Larráyoz , Pedro Díez

It is necessary to estimate the expected energy usage of a building to determine how to reduce energy usage. The expected energy usage of a building can be reliably simulated using a Building Energy Model (BEM). Many of the numerous input…

Computational Engineering, Finance, and Science · Computer Science 2020-04-21 Arpan Mukherjee , Anna Kuechle Szweda , Andrew Alegria , Rahul Rai , Tarunraj Singh

AI Uncertainty Quantification (UQ) has the potential to improve human decision-making beyond AI predictions alone by providing additional probabilistic information to users. The majority of past research on AI and human decision-making has…

Artificial Intelligence · Computer Science 2024-02-07 Laura R. Marusich , Jonathan Z. Bakdash , Yan Zhou , Murat Kantarcioglu

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

Neural Network (NN) models provide potential to speed up the drug discovery process and reduce its failure rates. The success of NN models require uncertainty quantification (UQ) as drug discovery explores chemical space beyond the training…

Machine Learning · Computer Science 2022-11-01 Ya Ju Fan , Jonathan E. Allen , Kevin S. McLoughlin , Da Shi , Brian J. Bennion , Xiaohua Zhang , Felice C. Lightstone

Uncertainty quantification (UQ) is crucial in machine learning, yet most (axiomatic) studies of uncertainty measures focus on classification, leaving a gap in regression settings with limited formal justification and evaluations. In this…

Machine Learning · Computer Science 2025-05-19 Christopher Bülte , Yusuf Sale , Timo Löhr , Paul Hofman , Gitta Kutyniok , Eyke Hüllermeier

Large language models (LLMs) exhibit strong generative capabilities but remain vulnerable to confabulations, fluent yet unreliable outputs that vary arbitrarily even under identical prompts. Leveraging a quantum tensor network based…

Computation and Language · Computer Science 2026-02-03 Pragatheeswaran Vipulanandan , Kamal Premaratne , Dilip Sarkar

The design of next-generation alloys through the Integrated Computational Materials Engineering (ICME) approach relies on multi-scale computer simulations to provide thermodynamic properties when experiments are difficult to conduct.…

ML models have errors when used for predictions. The errors are unknown but can be quantified by model uncertainty. When multiple ML models are trained using the same training points, their model uncertainties may be statistically…

Machine Learning · Statistics 2025-09-23 Xiaoping Du

Multi-agent debates have been introduced to improve the accuracy of Large Language Models (LLMs) by having multiple agents discuss solutions to a problem over several rounds of debate. However, models often generate incorrect yet…

Computation and Language · Computer Science 2025-02-25 Luke Yoffe , Alfonso Amayuelas , William Yang Wang

The potential of Large Language Model (LLM) as agents has been widely acknowledged recently. Thus, there is an urgent need to quantitatively \textit{evaluate LLMs as agents} on challenging tasks in interactive environments. We present…

For safe and reliable deployment in the real world, autonomous agents must elicit appropriate levels of trust from human users. One method to build trust is to have agents assess and communicate their own competencies for performing given…

Robotics · Computer Science 2022-06-22 Aastha Acharya , Rebecca Russell , Nisar R. Ahmed

While standard approaches to optimisation focus on producing a single high-performing solution, Quality-Diversity (QD) algorithms allow large diverse collections of such solutions to be found. If QD has proven promising across a large…

Neural and Evolutionary Computing · Computer Science 2023-04-27 Manon Flageat , Luca Grillotti , Antoine Cully

Large language models (LLMs) have shown remarkable achievements in natural language processing tasks, producing high-quality outputs. However, LLMs still exhibit limitations, including the generation of factually incorrect information. In…

Computation and Language · Computer Science 2023-11-17 Sridevi Wagle , Sai Munikoti , Anurag Acharya , Sara Smith , Sameera Horawalavithana

Social deduction games have become a popular testbed for probing reasoning, deception, coordination, and belief modeling in Large Language Model (LLM) agents. However, most environments are scored only by game outcomes such as win rates and…

Computation and Language · Computer Science 2026-05-27 Ye Yuan , Rui Song , Weien Li , Zeyu Li , Haochen Liu , Xiangyu Kong , Changjiang Han , Yonghan Yang , Zichen Zhao , Zixuan Dong , Fuyuan Lyu , Bowei He , Haolun Wu , Jikun Kang , Xue Liu

In an era where vast amounts of data are collected and processed from diverse sources, there is a growing demand for sophisticated AI systems capable of intelligently fusing and analyzing this information. To address these challenges,…

Software Engineering · Computer Science 2025-11-24 Amine Ben Hassouna , Hana Chaari , Ines Belhaj

Using a cyclotron based model problem, we demonstrate for the first time the applicability and usefulness of a uncertainty quantification (UQ) approach in order to construct surrogate models for quantities such as emittance, energy spread…

Accelerator Physics · Physics 2018-12-13 Andreas Adelmann

Large Language Models (LLMs) show promising results in language generation and instruction following but frequently "hallucinate", making their outputs less reliable. Despite Uncertainty Quantification's (UQ) potential solutions,…

Computation and Language · Computer Science 2024-05-30 Jinhao Duan , Hao Cheng , Shiqi Wang , Alex Zavalny , Chenan Wang , Renjing Xu , Bhavya Kailkhura , Kaidi Xu

As machine learning (ML) models are increasingly deployed in high-stakes domains, trustworthy uncertainty quantification (UQ) is critical for ensuring the safety and reliability of these models. Traditional UQ methods rely on specifying a…

Machine Learning · Statistics 2025-05-14 Abhineet Agarwal , Michael Xiao , Rebecca Barter , Omer Ronen , Boyu Fan , Bin Yu

We explore uncertainty quantification in large language models (LLMs), with the goal to identify when uncertainty in responses given a query is large. We simultaneously consider both epistemic and aleatoric uncertainties, where the former…

Machine Learning · Computer Science 2024-07-18 Yasin Abbasi Yadkori , Ilja Kuzborskij , András György , Csaba Szepesvári