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Trustworthy deployment of ML models requires a proper measure of uncertainty, especially in safety-critical applications. We focus on uncertainty quantification (UQ) for classification problems via two avenues -- prediction sets using…

Machine Learning · Statistics 2021-07-08 Aleksandr Podkopaev , Aaditya Ramdas

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…

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…

Machine Learning · Computer Science 2024-06-04 Fahimeh Fakour , Ali Mosleh , Ramin Ramezani

Scientific Machine Learning is a new class of approaches that integrate physical knowledge and mechanistic models with data-driven techniques for uncovering governing equations of complex processes. Among the available approaches, Universal…

Machine Learning · Statistics 2024-06-14 Nina Schmid , David Fernandes del Pozo , Willem Waegeman , Jan Hasenauer

A wide range of sustainability and grid-integration strategies depend on workload shifting, which aligns the timing of energy consumption with external signals such as grid curtailment events, carbon intensity, or time-of-use electricity…

Data Structures and Algorithms · Computer Science 2025-10-01 Ezra Johnson , Adam Lechowicz , Mohammad Hajiesmaili

Black-box machine learning models are now routinely used in high-risk settings, like medical diagnostics, which demand uncertainty quantification to avoid consequential model failures. Conformal prediction is a user-friendly paradigm for…

Machine Learning · Computer Science 2022-12-08 Anastasios N. Angelopoulos , Stephen Bates

Uncertainty quantification is crucial to assess prediction quality of a machine learning model. In the case of Extreme Learning Machines (ELM), most methods proposed in the literature make strong assumptions on the data, ignore the…

Machine Learning · Statistics 2020-11-04 Fabian Guignard , Federico Amato , Mikhail Kanevski

Uncertainty quantification is at the core of the reliability and robustness of machine learning. In this paper, we provide a theoretical framework to dissect the uncertainty, especially the \textit{epistemic} component, in deep learning…

Machine Learning · Computer Science 2023-06-21 Ziyi Huang , Henry Lam , Haofeng Zhang

Index tuning is crucial for optimizing database performance by selecting optimal indexes based on workload. The key to this process lies in an accurate and efficient benefit estimator. Traditional methods relying on what-if tools often…

Databases · Computer Science 2025-09-03 Tao Yu , Zhaonian Zou , Hao Xiong

Imbalanced-learn is an open-source python toolbox aiming at providing a wide range of methods to cope with the problem of imbalanced dataset frequently encountered in machine learning and pattern recognition. The implemented…

Machine Learning · Computer Science 2016-09-22 Guillaume Lemaitre , Fernando Nogueira , Christos K. Aridas

Neural Network (NN) models provide potential to speed up the drug discovery process and reduce its failure rates. The success of NN models require uncertainty quantification (UQ) as drug discovery explores chemical space beyond the training…

Machine Learning · Computer Science 2022-11-01 Ya Ju Fan , Jonathan E. Allen , Kevin S. McLoughlin , Da Shi , Brian J. Bennion , Xiaohua Zhang , Felice C. Lightstone

The Best Estimate plus Uncertainty (BEPU) approach for nuclear systems modeling and simulation requires that the prediction uncertainty must be quantified in order to prove that the investigated design stays within acceptance criteria. A…

Computation · Statistics 2023-03-24 Ziyu Xie , Farah Alsafadi , Xu Wu

AI deployed in the real-world should be capable of autonomously adapting to novelties encountered after deployment. Yet, in the field of continual learning, the reliance on novelty and labeling oracles is commonplace albeit unrealistic.…

Machine Learning · Computer Science 2024-12-24 Amanda S. Rios , Ibrahima J. Ndiour , Parual Datta , Jaroslaw Sydir , Omesh Tickoo , Nilesh Ahuja

In this PhD thesis, we propose a novel framework for uncertainty quantification in machine learning, which is based on proper scores. Uncertainty quantification is an important cornerstone for trustworthy and reliable machine learning…

Machine Learning · Computer Science 2025-08-26 Sebastian G. Gruber

QUESO stands for Quantification of Uncertainty for Estimation, Simulation and Optimization and consists of algorithms and C++ classes intended for research in uncertainty quantification, including the solution of statistical inverse problem…

Statistical learning algorithms provide a generally-applicable framework to sidestep time-consuming experiments, or accurate physics-based modeling, but they introduce a further source of error on top of the intrinsic limitations of the…

Chemical Physics · Physics 2024-05-17 Matthias Kellner , Michele Ceriotti

Uncertainty Quantification (UQ) is vital to safety-critical model-based analyses, but the widespread adoption of sophisticated UQ methods is limited by technical complexity. In this paper, we introduce UM-Bridge (the UQ and Modeling…

Uncertainty quantification (UQ) in scientific machine learning is increasingly critical as neural networks are widely adopted to tackle complex problems across diverse scientific disciplines. For physics-informed neural networks (PINNs), a…

Machine Learning · Statistics 2025-10-20 Frank Shih , Zhenghao Jiang , Faming Liang

We consider two conceptually different approaches for assessing the reliability of the individual predictions of a classifier: Robustness Quantification (RQ) and Uncertainty Quantification (UQ). We compare both approaches on a number of…

Machine Learning · Computer Science 2025-12-18 Adrián Detavernier , Jasper De Bock

Quality Estimation (QE) plays an essential role in applications of Machine Translation (MT). Traditionally, a QE system accepts the original source text and translation from a black-box MT system as input. Recently, a few studies indicate…

Computation and Language · Computer Science 2021-09-16 Ke Wang , Yangbin Shi , Jiayi Wang , Yuqi Zhang , Yu Zhao , Xiaolin Zheng
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