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Machine learning (ML) systems are increasingly deployed in high-stakes domains where reliability is paramount. This thesis investigates how uncertainty estimation can enhance the safety and trustworthiness of ML, focusing on selective…

Machine Learning · Computer Science 2025-09-09 Stephan Rabanser

Most of statistics and AI draw insights through modelling discord or variance between sources of information (i.e., inter-source uncertainty). Increasingly, however, research is focusing upon uncertainty arising at the level of individual…

Machine Learning · Computer Science 2023-03-01 Shaily Kabir , Christian Wagner , Zack Ellerby

We introduce the SaaS Algorithm for semi-supervised learning, which uses learning speed during stochastic gradient descent in a deep neural network to measure the quality of an iterative estimate of the posterior probability of unknown…

Computer Vision and Pattern Recognition · Computer Science 2018-05-04 Safa Cicek , Alhussein Fawzi , Stefano Soatto

Configurable software systems are employed in many important application domains. Understanding the performance of the systems under all configurations is critical to prevent potential performance issues caused by misconfiguration. However,…

Software Engineering · Computer Science 2022-12-29 Huong Ha , Zongwen Fan , Hongyu Zhang

Uncertainty in optimization is often represented as stochastic parameters in the optimization model. In Predict-Then-Optimize approaches, predictions of a machine learning model are used as values for such parameters, effectively…

Machine Learning · Computer Science 2025-12-03 Pieter Smet

Using more test-time computation during language model inference, such as generating more intermediate thoughts or sampling multiple candidate answers, has proven effective in significantly improving model performance. This paper takes an…

Machine Learning · Computer Science 2025-08-20 Xingwu Chen , Miao Lu , Beining Wu , Difan Zou

We study the problem of monitoring machine learning models under gradual distribution shifts, where circumstances change slowly over time, often leading to unnoticed yet significant declines in accuracy. To address this, we propose…

Machine Learning · Computer Science 2025-05-13 Alexander Koebler , Thomas Decker , Ingo Thon , Volker Tresp , Florian Buettner

Estimating uncertainty of machine learning models is essential to assess the quality of the predictions that these models provide. However, there are several factors that influence the quality of uncertainty estimates, one of which is the…

Machine Learning · Computer Science 2022-11-03 Yuko Kato , David M. J. Tax , Marco Loog

We study the generation of prediction intervals in regression for uncertainty quantification. This task can be formalized as an empirical constrained optimization problem that minimizes the average interval width while maintaining the…

Machine Learning · Statistics 2021-03-01 Haoxian Chen , Ziyi Huang , Henry Lam , Huajie Qian , Haofeng Zhang

Machine learning models have emerged as a very effective strategy to sidestep time-consuming electronic-structure calculations, enabling accurate simulations of greater size, time scale and complexity. Given the interpolative nature of…

Time-to-event endpoints are central to evaluate treatment efficacy across many disease areas. Many trial protocols include interim analyses within group-sequential designs that control type I error via spending functions or boundary…

Methodology · Statistics 2026-01-19 Edoardo Ratti , Federico L. Perlino , Stefania Galimberti , Maria G. Valsecchi

Simulation metamodeling refers to the construction of lower-fidelity models to represent input-output relations using few simulation runs. Stochastic kriging, which is based on Gaussian process, is a versatile and common technique for such…

Methodology · Statistics 2022-04-06 Henry Lam , Haofeng Zhang

Data-driven models (DDM) based on machine learning and other AI techniques play an important role in the perception of increasingly autonomous systems. Due to the merely implicit definition of their behavior mainly based on the data used…

Software Engineering · Computer Science 2022-06-15 Janek Groß , Rasmus Adler , Michael Kläs , Jan Reich , Lisa Jöckel , Roman Gansch

Methods for split conformal prediction leverage calibration samples to transform any prediction rule into a set-prediction rule that complies with a target coverage probability. Existing methods provide remarkably strong performance…

Machine Learning · Statistics 2025-10-15 Santiago Mazuelas

Accurate uncertainty quantification is necessary to enhance the reliability of deep learning models in real-world applications. In the case of regression tasks, prediction intervals (PIs) should be provided along with the deterministic…

Machine Learning · Computer Science 2024-03-26 Giorgio Morales , John W. Sheppard

Operations is a key challenge in the domain of machine learning pipeline deployments involving monitoring and management of real-time prediction quality. Typically, metrics like accuracy, RMSE etc., are used to track the performance of…

Evaluating predictive models is a crucial task in predictive analytics. This process is especially challenging with time series data where the observations show temporal dependencies. Several studies have analysed how different performance…

Machine Learning · Statistics 2022-02-14 Vitor Cerqueira , Luis Torgo , Carlos Soares

Estimating how well a machine learning model performs during inference is critical in a variety of scenarios (for example, to quantify uncertainty, or to choose from a library of available models). However, the standard accuracy estimate of…

Computer Vision and Pattern Recognition · Computer Science 2021-10-07 Xuechen Zhang , Samet Oymak , Jiasi Chen

In this work, we propose ModelPred, a framework that helps to understand the impact of changes in training data on a trained model. This is critical for building trust in various stages of a machine learning pipeline: from cleaning…

Machine Learning · Computer Science 2022-12-27 Yingyan Zeng , Jiachen T. Wang , Si Chen , Hoang Anh Just , Ran Jin , Ruoxi Jia

In educational technology and learning sciences, there are multiple uses for a predictive model of whether a student will perform a task correctly or not. For example, an intelligent tutoring system may use such a model to estimate whether…

Artificial Intelligence · Computer Science 2015-01-13 April Galyardt , Ilya Goldin