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Image reconstruction methods based on deep neural networks have shown outstanding performance, equalling or exceeding the state-of-the-art results of conventional approaches, but often do not provide uncertainty information about the…

Computer Vision and Pattern Recognition · Computer Science 2020-12-01 Riccardo Barbano , Željko Kereta , Chen Zhang , Andreas Hauptmann , Simon Arridge , Bangti Jin

We address the problem of uncertainty quantification and propose measures of total, aleatoric, and epistemic uncertainty based on a known decomposition of (strictly) proper scoring rules, a specific type of loss function, into a divergence…

Machine Learning · Computer Science 2025-05-29 Paul Hofman , Yusuf Sale , Eyke Hüllermeier

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

We present a scheme to obtain an inexpensive and reliable estimate of the uncertainty associated with the predictions of a machine-learning model of atomic and molecular properties. The scheme is based on resampling, with multiple models…

Chemical Physics · Physics 2025-10-06 Felix Musil , Michael J. Willatt , Mikhail A. Langovoy , Michele Ceriotti

This paper addresses a significant gap in explainable AI: the necessity of interpreting epistemic uncertainty in model explanations. Although current methods mainly focus on explaining predictions, with some including uncertainty, they fail…

Artificial Intelligence · Computer Science 2024-10-10 Helena Löfström , Tuwe Löfström , Johan Hallberg Szabadvary

The widespread adoption of machine learning surrogate models has significantly improved the scale and complexity of systems and processes that can be explored accurately and efficiently using atomistic modeling. However, the inherently…

Chemical Physics · Physics 2025-03-13 Federico Grasselli , Sanggyu Chong , Venkat Kapil , Silvia Bonfanti , Kevin Rossi

One of the more challenging real-world problems in computational intelligence is to learn from non-stationary streaming data, also known as concept drift. Perhaps even a more challenging version of this scenario is when -- following a small…

Machine Learning · Computer Science 2020-12-01 Muhammad Umer , Robi Polikar

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

Autonomous and semi-autonomous systems are using deep learning models to improve decision-making. However, deep classifiers can be overly confident in their incorrect predictions, a major issue especially in safety-critical domains. The…

Machine Learning · Computer Science 2024-12-05 Murat Sensoy , Lance M. Kaplan , Simon Julier , Maryam Saleki , Federico Cerutti

Despite the widespread adoption of large language models (LLMs) for recommendation, we demonstrate that LLMs often exhibit uncertainty in their recommendations. To ensure the trustworthy use of LLMs in generating recommendations, we…

Information Retrieval · Computer Science 2025-02-13 Wonbin Kweon , Sanghwan Jang , SeongKu Kang , Hwanjo Yu

Uncertainty estimation is at the core of Active Learning (AL). Most existing methods resort to complex auxiliary models and advanced training fashions to estimate uncertainty for unlabeled data. These models need special design and hence…

Computer Vision and Pattern Recognition · Computer Science 2025-09-22 Tianyang Wang , Xi Xiao , Gaofei Chen , Xiaoying Liao , Guo Cheng , Yingrui Ji

Uncertainty quantification has received increasing attention in machine learning in the recent past. In particular, a distinction between aleatoric and epistemic uncertainty has been found useful in this regard. The latter refers to the…

Machine Learning · Computer Science 2022-10-14 Viktor Bengs , Eyke Hüllermeier , Willem Waegeman

We explore the application of uncertainty quantification methods to agent-based models (ABMs) using a simple sheep and wolf predator-prey model. This work serves as a tutorial on how techniques like emulation can be powerful tools in this…

Other Statistics · Statistics 2024-09-26 Louise Kimpton , Peter Challenor , James Salter

Large-language models (LLMs) and chatbot agents are known to provide wrong outputs at times, and it was recently found that this can never be fully prevented. Hence, uncertainty quantification plays a crucial role, aiming to quantify the…

Machine Learning · Computer Science 2025-05-29 Michael Kirchhof , Gjergji Kasneci , Enkelejda Kasneci

Uncertainty quantification (UQ) methods for Large Language Models (LLMs) encompass a variety of approaches, with two major types being particularly prominent: information-based, which focus on model confidence expressed as token…

Computation and Language · Computer Science 2025-12-10 Roman Vashurin , Maiya Goloburda , Albina Ilina , Aleksandr Rubashevskii , Preslav Nakov , Artem Shelmanov , Maxim Panov

The recent convergence of pervasive computing and machine learning has given rise to numerous services, impacting almost all areas of economic and social activity. However, the use of AI techniques precludes certain standard software…

Software Engineering · Computer Science 2025-12-11 Vladimir Balditsyn , Philippe Lalanda , German Vega , Stéphanie Chollet

In machine learning, uncertainty quantification helps assess the reliability of model predictions, which is important in high-stakes scenarios. Traditional approaches often emphasize predictive accuracy, but there is a growing focus on…

Machine Learning · Statistics 2025-09-30 Jake S. Rhodes , Scott D. Brown , J. Riley Wilkinson

Fuel efficient Homogeneous Charge Compression Ignition (HCCI) engine combustion timing predictions must contend with non-linear chemistry, non-linear physics, period doubling bifurcation(s), turbulent mixing, model parameters that can drift…

Machine Learning · Computer Science 2015-05-07 Adam Vaughan , Stanislav V. Bohac

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

We investigate the problem of determining the predictive confidence (or, conversely, uncertainty) of a neural classifier through the lens of low-resource languages. By training models on sub-sampled datasets in three different languages, we…

Computation and Language · Computer Science 2022-10-28 Dennis Ulmer , Jes Frellsen , Christian Hardmeier