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In this paper we introduce concepts from uncertainty quantification (UQ) and numerical analysis for the efficient evaluation of stochastic high dimensional Newton iterates. In particular, we develop complex analytic regularity theory of the…

Numerical Analysis · Mathematics 2019-05-23 Julio Enrique Castrillon-Candas , Mark Kon

Accurately quantifying a large language model's (LLM) predictive uncertainty is crucial for judging the reliability of its answers. While most existing research focuses on short, directly answerable questions with closed-form outputs (e.g.,…

Computation and Language · Computer Science 2025-08-08 Yinghao Li , Rushi Qiang , Lama Moukheiber , Chao Zhang

Accurate uncertainty quantification remains a key challenge for standard LLMs, prompting the adoption of Bayesian and ensemble-based methods. However, such methods typically necessitate computationally expensive sampling, involving multiple…

Machine Learning · Computer Science 2025-07-25 Lakshmana Sri Harsha Nemani , P. K. Srijith , Tomasz Kuśmierczyk

Uncertainty quantification is an important and challenging problem in deep learning. Previous methods rely on dropout layers which are not present in modern deep architectures or batch normalization which is sensitive to batch sizes. In…

Computer Vision and Pattern Recognition · Computer Science 2020-07-10 Lukasz Wandzik , Raul Vicente Garcia , Jörg Krüger

Accurate quantification of model uncertainty has long been recognized as a fundamental requirement for trusted AI. In regression tasks, uncertainty is typically quantified using prediction intervals calibrated to a specific operating point,…

Machine Learning · Computer Science 2021-06-03 Jiri Navratil , Benjamin Elder , Matthew Arnold , Soumya Ghosh , Prasanna Sattigeri

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

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…

Software Engineering · Computer Science 2025-09-23 Hui Chen , Yunhua Zhao , Kostadin Damevski

With the increased prevalence of neural operators being used to provide rapid solutions to partial differential equations (PDEs), understanding the accuracy of model predictions and the associated error levels is necessary for deploying…

Machine Learning · Computer Science 2026-02-26 Nick Winovich , Mitchell Daneker , Lu Lu , Guang Lin

Neural networks make accurate predictions but often fail to provide reliable uncertainty estimates, especially under covariate distribution shifts between training and testing. To address this problem, we propose a Bayesian framework for…

Machine Learning · Statistics 2025-12-22 Yuli Slavutsky , David M. Blei

High-dimensional tensor data often exhibit strong temporal correlations that appear as low-dimensional structures in the frequency domain. While the low-tubal-rank tensor model effectively captures these spectral features, making it…

Methodology · Statistics 2026-04-14 Jiuqian Shang , Jingyang Li , Yang Chen

In this work we aim to obtain computationally-efficient uncertainty estimates with deep networks. For this, we propose a modified knowledge distillation procedure that achieves state-of-the-art uncertainty estimates both for in and…

Machine Learning · Computer Science 2019-06-14 Erik Englesson , Hossein Azizpour

Recent advances in generative video models have led to significant breakthroughs in high-fidelity video synthesis, specifically in controllable video generation where the generated video is conditioned on text and action inputs, e.g., in…

Computer Vision and Pattern Recognition · Computer Science 2026-03-12 Zhiting Mei , Tenny Yin , Micah Baker , Ola Shorinwa , Anirudha Majumdar

In nuclear reactor system design and safety analysis, the Best Estimate plus Uncertainty (BEPU) methodology requires that computer model output uncertainties must be quantified in order to prove that the investigated design stays within…

Computation · Statistics 2018-06-22 Xu Wu , Tomasz Kozlowski , Hadi Meidani , Koroush Shirvan

Estimating the confidence of large language model (LLM) outputs is essential for real-world applications requiring high user trust. Black-box uncertainty quantification (UQ) methods, relying solely on model API access, have gained…

Computation and Language · Computer Science 2025-06-30 Quan Xiao , Debarun Bhattacharjya , Balaji Ganesan , Radu Marinescu , Katsiaryna Mirylenka , Nhan H Pham , Michael Glass , Junkyu Lee

We consider two approaches for assessing the reliability of the individual predictions of a classifier: Robustness Quantification (RQ) and Uncertainty Quantification (UQ). We explain the conceptual differences between the two approaches,…

Machine Learning · Computer Science 2026-03-25 Adrián Detavernier , Jasper De Bock

We present a critical survey on the consistency of uncertainty quantification used in deep learning and highlight partial uncertainty coverage and many inconsistencies. We then provide a comprehensive and statistically consistent framework…

Machine Learning · Computer Science 2026-01-14 Peter Jan van Leeuwen , J. Christine Chiu , C. Kevin Yang

Quality-Diversity optimisation (QD) has proven to yield promising results across a broad set of applications. However, QD approaches struggle in the presence of uncertainty in the environment, as it impacts their ability to quantify the…

Neural and Evolutionary Computing · Computer Science 2023-03-28 Manon Flageat , Antoine Cully

Uncertainty quantification is critical for ensuring robustness in high-stakes machine learning applications. We introduce HybridFlow, a modular hybrid architecture that unifies the modeling of aleatoric and epistemic uncertainty by…

Machine Learning · Computer Science 2025-10-16 Peter Van Katwyk , Karianne J. Bergen

The goals of this chapter are twofold. First, we wish to introduce molecular dynamics (MD) and uncertainty quantification (UQ) in a common setting in order to demonstrate how the latter can increase confidence in the former. In some cases,…

Computational Physics · Physics 2018-01-09 Paul N. Patrone , Andrew Dienstfrey

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
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