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Uncertainty quantification (UQ) is crucial for deploying machine learning models in high-stakes applications, where overconfident predictions can lead to serious consequences. An effective UQ method must balance computational efficiency…

机器学习 · 计算机科学 2026-02-23 Taeseong Yoon , Heeyoung Kim

Assessing the quality of aleatoric uncertainty estimates from uncertainty quantification (UQ) deep learning methods is important in scientific contexts, where uncertainty is physically meaningful and important to characterize and interpret…

机器学习 · 计算机科学 2024-11-14 Rebecca Nevin , Aleksandra Ćiprijanović , Brian D. Nord

Reliable uncertainty quantification (UQ) is essential for deploying large language models (LLMs) in safety-critical scenarios, as it enables them to abstain from responding when uncertain, thereby avoiding hallucinations, i.e., plausible…

计算与语言 · 计算机科学 2026-02-09 Xingtao Zhao , Hao Peng , Dingli Su , Xianghua Zeng , Chunyang Liu , Jinzhi Liao , Philip S. Yu

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…

机器学习 · 计算机科学 2024-06-05 Bo Sun , Jerry Huang , Nicolas Christianson , Mohammad Hajiesmaili , Adam Wierman , Raouf Boutaba

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…

计算与语言 · 计算机科学 2026-01-29 Dylan Bouchard , Mohit Singh Chauhan

If Uncertainty Quantification (UQ) is crucial to achieve trustworthy Machine Learning (ML), most UQ methods suffer from disparate and inconsistent evaluation protocols. We claim this inconsistency results from the unclear requirements the…

机器学习 · 计算机科学 2022-07-28 Victor Bouvier , Simona Maggio , Alexandre Abraham , Léo Dreyfus-Schmidt

Neural networks (NNs) often assign high confidence to their predictions, even for points far out-of-distribution, making uncertainty quantification (UQ) a challenge. When they are employed to model interatomic potentials in materials…

We present a novel physics-constrained polynomial chaos expansion as a surrogate modeling method capable of performing both scientific machine learning (SciML) and uncertainty quantification (UQ) tasks. The proposed method possesses a…

机器学习 · 统计学 2024-05-14 Himanshu Sharma , Lukáš Novák , Michael D. Shields

Uncertainty Quantification (UQ) is widely regarded as the primary safeguard for deploying Large Language Models (LLMs) in high-stakes domains. However, we argue that the field suffers from a category error: mainstream UQ methods for LLMs…

计算与语言 · 计算机科学 2026-05-20 Tiejin Chen , Longchao Da , Xiaoou Liu , Hua Wei

The changesets (or patches) that fix open source software vulnerabilities form critical datasets for various machine learning security-enhancing applications, such as automated vulnerability patching and silent fix detection. These patch…

软件工程 · 计算机科学 2025-09-23 Hui Chen , Yunhua Zhao , Kostadin Damevski

This paper presents the development and demonstration of massively parallel probabilistic machine learning (ML) and uncertainty quantification (UQ) capabilities within the Multiphysics Object-Oriented Simulation Environment (MOOSE), an…

Large Language Models (LLMs) are commonly used in Question Answering (QA) settings, increasingly in the natural sciences if not science at large. Reliable Uncertainty Quantification (UQ) is critical for the trustworthy uptake of generated…

计算与语言 · 计算机科学 2026-02-03 Philip Müller , Nicholas Popovič , Michael Färber , Peter Steinbach

We analyze an ensemble-based approach for uncertainty quantification (UQ) in atomistic neural networks. This method generates an epistemic uncertainty signal without requiring changes to the underlying multi-headed regression neural network…

化学物理 · 物理学 2025-11-21 Idan Fonea , Amir Peles , Sivan Niv , Goren Gordon , Amir Natan

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…

The adaptation and use of Machine Learning (ML) in our daily lives has led to concerns in lack of transparency, privacy, reliability, among others. As a result, we are seeing research in niche areas such as interpretability, causality, bias…

机器学习 · 计算机科学 2024-06-04 Fahimeh Fakour , Ali Mosleh , Ramin Ramezani

This study investigates uncertainty quantification (UQ) using quantum-classical hybrid machine learning (ML) models for applications in complex and dynamic fields, such as attaining resiliency in supply chain digital twins and financial…

Hallucinations, defined as instances where Large Language Models (LLMs) generate false or misleading content, pose a significant challenge that impacts the safety and trust of downstream applications. We introduce UQLM, a Python package for…

计算与语言 · 计算机科学 2026-03-05 Dylan Bouchard , Mohit Singh Chauhan , David Skarbrevik , Ho-Kyeong Ra , Viren Bajaj , Zeya Ahmad

In recent years, operator learning, particularly the DeepONet, has received much attention for efficiently learning complex mappings between input and output functions across diverse fields. However, in practical scenarios with limited and…

机器学习 · 计算机科学 2024-03-07 Andrew Pensoneault , Xueyu Zhu

Treating uncertainties in models is essential in many fields of science and engineering. Uncertainty quantification (UQ) on complex and computationally costly numerical models necessitates a combination of efficient model solvers, advanced…

分布式、并行与集群计算 · 计算机科学 2023-04-28 Linus Seelinger , Anne Reinarz , Jean Benezech , Mikkel Bue Lykkegaard , Lorenzo Tamellini , Robert Scheichl

Research in uncertainty quantification (UQ) for large language models (LLMs) is increasingly important towards guaranteeing the reliability of this groundbreaking technology. We explore the integration of LLM UQ methods in argumentative…

计算与语言 · 计算机科学 2026-05-08 Kevin Zhou , Adam Dejl , Gabriel Freedman , Lihu Chen , Antonio Rago , Francesca Toni