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Large language models have demonstrated remarkable capabilities in complex mathematical reasoning tasks, but they inevitably generate errors throughout multi-step solutions. Process-level Reward Models (PRMs) have shown great promise by…

Artificial Intelligence · Computer Science 2025-08-05 Jiuzhou Han , Wray Buntine , Ehsan Shareghi

Critical points mark locations in the domain where the level-set topology of a scalar function undergoes fundamental changes and thus indicate potentially interesting features in the data. Established methods exist to locate and relate such…

Human-Computer Interaction · Computer Science 2023-08-11 Dominik Vietinghoff , Michael Böttinger , Gerik Scheuermann , Christian Heine

Uncertainty quantification (UQ) is an important component of molecular property prediction, particularly for drug discovery applications where model predictions direct experimental design and where unanticipated imprecision wastes valuable…

Machine Learning · Computer Science 2020-05-21 Lior Hirschfeld , Kyle Swanson , Kevin Yang , Regina Barzilay , Connor W. Coley

Inverse optimization (IO) is used to estimate unknown parameters of an optimization model from observed decisions. In the data-driven context, the estimated parameters are inherently uncertain, yet quantifying this uncertainty has received…

Optimization and Control · Mathematics 2026-05-26 Timothy C. Y. Chan , Nathan Sandholtz , Nasrin Yousefi

The paper introduces a novel approach to global sensitivity analysis, grounded in the variance-covariance structure of random variables derived from random measures. The proposed methodology facilitates the application of…

Methodology · Statistics 2025-10-20 Caleb Deen Bastian , Herschel Rabitz , Grzegorz A Rempala

Uncertainty quantification in Artificial Intelligence (AI)-based predictions of material properties is of immense importance for the success and reliability of AI applications in material science. While confidence intervals are commonly…

Machine Learning · Computer Science 2023-01-16 Francesca Tavazza , Brian De Cost , Kamal Choudhary

The application of neural network models to scientific machine learning tasks has proliferated in recent years. In particular, neural network models have proved to be adept at modeling processes with spatial-temporal complexity.…

Machine Learning · Computer Science 2025-02-04 Jeremiah Hauth , Cosmin Safta , Xun Huan , Ravi G. Patel , Reese E. Jones

This paper addresses the challenge of Neural Field (NeF) generalization, where models must efficiently adapt to new signals given only a few observations. To tackle this, we propose Geometric Neural Process Fields (G-NPF), a probabilistic…

Computer Vision and Pattern Recognition · Computer Science 2025-02-05 Wenzhe Yin , Zehao Xiao , Jiayi Shen , Yunlu Chen , Cees G. M. Snoek , Jan-Jakob Sonke , Efstratios Gavves

In the context of Monte Carlo (MC) simulation of particle transport Uncertainty Quantification (UQ) addresses the issue of predicting non statistical errors affecting the physical results, i.e. errors deriving mainly from uncertainties in…

Computational Physics · Physics 2015-06-18 Paolo Saracco , Maria Grazia Pia

Semi-supervised node classification on graph-structured data has many applications such as fraud detection, fake account and review detection, user's private attribute inference in social networks, and community detection. Various methods…

Machine Learning · Computer Science 2020-12-29 Binghui Wang , Jinyuan Jia , Neil Zhenqiang Gong

Graph Neural Networks (GNNs) have been extensively used in various real-world applications. However, the predictive uncertainty of GNNs stemming from diverse sources such as inherent randomness in data and model training errors can lead to…

Machine Learning · Computer Science 2025-03-11 Fangxin Wang , Yuqing Liu , Kay Liu , Yibo Wang , Sourav Medya , Philip S. Yu

Data modeling using Tsetlin machines (TMs) is all about building logical rules from the data features. The decisions of the model are based on a combination of these logical rules. Hence, the model is fully transparent and it is possible to…

Many studies in uncertainty quantification have been carried out under the assumption of an input random field in which a countable number of independent random variables are each uniformly distributed on an interval, with these random…

Numerical Analysis · Mathematics 2020-03-17 Vesa Kaarnioja , Frances Y. Kuo , Ian H. Sloan

Neural Radiance Fields (NeRFs) have shown promise in applications like view synthesis and depth estimation, but learning from multiview images faces inherent uncertainties. Current methods to quantify them are either heuristic or…

Computer Vision and Pattern Recognition · Computer Science 2023-09-07 Lily Goli , Cody Reading , Silvia Sellán , Alec Jacobson , Andrea Tagliasacchi

Modern autonomous systems with machine learning components often use uncertainty quantification to help produce assurances about system operation. However, there is a lack of consensus in the community on what uncertainty is and how to…

Systems and Control · Electrical Eng. & Systems 2026-01-27 Sampada Deglurkar , Haotian Shen , Anish Muthali , Marco Pavone , Dragos Margineantu , Peter Karkus , Boris Ivanovic , Claire J. Tomlin

We address the problem of uncertainty quantification for graph-structured data, or, more specifically, the problem to quantify the predictive uncertainty in (semi-supervised) node classification. Key questions in this regard concern the…

Machine Learning · Computer Science 2024-06-07 Clemens Damke , Eyke Hüllermeier

Input variables in numerical models are often subject to several levels of uncertainty, usually modeled by probability distributions. In the context of uncertainty quantification applied to these models, studying the robustness of output…

This book chapter introduces the principles and practical applications of uncertainty quantification in machine learning. It explains how to identify and distinguish between different types of uncertainty and presents methods for…

Machine Learning · Computer Science 2025-10-08 Hans Weytjens , Wouter Verbeke

Uncertainty principles present an important theoretical tool in signal processing, as they provide limits on the time-frequency concentration of a signal. In many real-world applications the signal domain has a complicated irregular…

Information Theory · Computer Science 2023-06-29 Elizaveta Rebrova , Palina Salanevich

Graphical models such as Markov random fields (MRFs) that are associated with undirected graphs, and Bayesian networks (BNs) that are associated with directed acyclic graphs, have proven to be a very popular approach for reasoning under…

Methodology · Statistics 2023-02-20 Ilya Shpitser