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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

The requirement of generating predictions that exactly fulfill the fundamental symmetry of the corresponding physical quantities has profoundly shaped the development of machine-learning models for physical simulations. In many cases,…

Machine Learning · Computer Science 2026-03-27 Michelangelo Domina , Joseph William Abbott , Paolo Pegolo , Filippo Bigi , Michele Ceriotti

Reliable uncertainty quantification at unobserved spatial locations, especially in the presence of complex and heterogeneous datasets, remains a core challenge in spatial statistics. Traditional approaches like Kriging rely heavily on…

Machine Learning · Statistics 2025-02-18 Hanyang Jiang , Yao Xie

Conformal prediction is a popular, modern technique for providing valid predictive inference for arbitrary machine learning models. Its validity relies on the assumptions of exchangeability of the data, and symmetry of the given model…

Methodology · Statistics 2023-03-20 Rina Foygel Barber , Emmanuel J. Candes , Aaditya Ramdas , Ryan J. Tibshirani

Numerous phenomenological nuclear models have been proposed to describe specific observables within different regions of the nuclear chart. However, developing a unified model that describes the complex behavior of all nuclei remains an…

Nuclear Theory · Physics 2025-05-14 Jose M. Munoz , Silviu M. Udrescu , Ronald F. Garcia Ruiz

Material scientists are increasingly adopting the use of machine learning (ML) for making potentially important decisions, such as, discovery, development, optimization, synthesis and characterization of materials. However, despite ML's…

Computational Physics · Physics 2019-03-12 Bhavya Kailkhura , Brian Gallagher , Sookyung Kim , Anna Hiszpanski , T. Yong-Jin Han

Machine learning methods are increasingly widely used in high-risk settings such as healthcare, transportation, and finance. In these settings, it is important that a model produces calibrated uncertainty to reflect its own confidence and…

Artificial Intelligence · Computer Science 2022-09-09 Sophia Sun

Safety-critical prediction systems, such as autonomous vehicles, weather forecasters, and medical monitors, commonly rely on probabilistic forecasters. These forecasters make predictions about possible future outcomes, and their quality and…

Methodology · Statistics 2026-04-30 Romeo Valentin

Accurate prediction of pure component physiochemical properties is crucial for process integration, multiscale modeling, and optimization. In this work, an enhanced framework for pure component property prediction by using explainable…

Applications · Statistics 2025-06-09 Jianfeng Jiao , Xi Gao , Jie Li

Conformal predictive systems allow forecasters to issue predictive distributions for real-valued future outcomes that have out-of-sample calibration guarantees. On a more abstract level, conformal prediction makes use of in-sample…

Methodology · Statistics 2025-03-07 Sam Allen , Georgios Gavrilopoulos , Alexander Henzi , Gian-Reto Kleger , Johanna Ziegel

Successful application of machine learning models to real-world prediction problems, e.g. financial forecasting and personalized medicine, has proved to be challenging, because such settings require limiting and quantifying the uncertainty…

Machine Learning · Computer Science 2020-09-15 Yao Zhang , William Zame , Mihaela van der Schaar

During the past decade, metal additive manufacturing (MAM) has experienced significant developments and gained much attention due to its ability to fabricate complex parts, manufacture products with functionally graded materials, minimize…

Machine Learning · Computer Science 2023-07-06 Sina Tayebati , Kyu Taek Cho

Quantifying a model's predictive uncertainty is essential for safety-critical applications such as autonomous driving. We consider quantifying such uncertainty for multi-object detection. In particular, we leverage conformal prediction to…

Computer Vision and Pattern Recognition · Computer Science 2024-07-31 Alexander Timans , Christoph-Nikolas Straehle , Kaspar Sakmann , Eric Nalisnick

Conformal prediction (CP) and its extension, conformal risk control (CRC), are established frameworks for quantifying uncertainty in supervised machine learning through formal guarantees. However, recent breakthroughs in artificial…

Machine Learning · Computer Science 2026-05-29 Gabriel Loaiza-Ganem , Kevin Zhang , Wei Cui , Marc T. Law , Kin Kwan Leung

Measurement quality assurance (QA) practices play a key role in the safe use of Intensity Modulated Radiation Therapies (IMRT) for cancer treatment. These practices have reduced measurement-based IMRT QA failure below 1%. However, these…

Machine Learning · Computer Science 2025-01-16 Kevin He , David Adam , Sarah Han-Oh , Anqi Liu

Uncertainty quantification (UQ) is essential for safe deployment of generative AI models such as large language models (LLMs), especially in high stakes applications. Conformal prediction (CP) offers a principled uncertainty quantification…

Machine Learning · Computer Science 2025-06-09 Sima Noorani , Shayan Kiyani , George Pappas , Hamed Hassani

Uncertainty quantification in automated image analysis is highly desired in many applications. Typically, machine learning models in classification or segmentation are only developed to provide binary answers; however, quantifying the…

We propose Conformal Lie-group Action Prediction Sets (CLAPS), a symmetry-aware conformal prediction-based algorithm that constructs, for a given action, a set guaranteed to contain the resulting system configuration at a user-defined…

Robotics · Computer Science 2025-12-12 Luís Marques , Maani Ghaffari , Dmitry Berenson

Uncertainty estimation in machine learning has traditionally focused on the prediction stage, aiming to quantify confidence in model outputs while treating learned representations as deterministic and reliable by default. In this work, we…

Machine Learning · Statistics 2026-02-20 Yiyao Yang

Uncertainty quantification (UQ) in natural language generation (NLG) tasks remains an open challenge, exacerbated by the closed-source nature of the latest large language models (LLMs). This study investigates applying conformal prediction…

Computation and Language · Computer Science 2024-11-19 Zhiyuan Wang , Jinhao Duan , Lu Cheng , Yue Zhang , Qingni Wang , Xiaoshuang Shi , Kaidi Xu , Hengtao Shen , Xiaofeng Zhu
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