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Uncertainty quantification for complex deep learning models is increasingly important as these techniques see growing use in high-stakes, real-world settings. Currently, the quality of a model's uncertainty is evaluated using…

Machine Learning · Computer Science 2021-12-15 Benjamin Kompa , Jasper Snoek , Andrew Beam

Catastrophic regime shifts in complex natural systems may be averted through advanced detection. Recent work has provided a proof-of-principle that many systems approaching a catastrophic transition may be identified through the lens of…

Other Quantitative Biology · Quantitative Biology 2012-04-30 Carl Boettiger , Alan Hastings

Proper quantification of predictive uncertainty is essential for the use of machine learning in safety-critical applications. Various uncertainty measures have been proposed for this purpose, typically claiming superiority over other…

Machine Learning · Computer Science 2025-12-16 Paul Hofman , Yusuf Sale , Eyke Hüllermeier

Parameter inference and uncertainty quantification are important steps when relating mathematical models to real-world observations, and when estimating uncertainty in model predictions. However, methods for doing this can be…

Quantitative Methods · Quantitative Biology 2025-08-27 Michael J. Plank , Matthew J. Simpson

Most research designing novel predictive models, or employing existing ones, assumes that training and testing data are independent and identically distributed. In practice, the data encountered at serving time often deviate from the…

Machine Learning · Computer Science 2026-03-30 Hanyu Duan , Yi Yang , Ahmed Abbasi , Kar Yan Tam

Accurately estimating uncertainties in neural network predictions is of great importance in building trusted DNNs-based models, and there is an increasing interest in providing accurate uncertainty estimation on many tasks, such as security…

Machine Learning · Computer Science 2020-07-14 Yukun Ding , Jinglan Liu , Jinjun Xiong , Yiyu Shi

Mathematical models are invaluable for understanding and predicting how biological systems behave, although their construction requires specifying mechanisms and relationships that are often not perfectly known. In the presence of multiple…

One of the ways to make artificial intelligence more natural is to give it some room for doubt. Two main questions should be resolved in that way. First, how to train a model to estimate uncertainties of its own predictions? And then, what…

Computer Vision and Pattern Recognition · Computer Science 2024-04-17 Alexey Kornaev , Elena Kornaeva , Oleg Ivanov , Ilya Pershin , Danis Alukaev

In cases of uncertainty, a multi-class classifier preferably returns a set of candidate classes instead of predicting a single class label with little guarantee. More precisely, the classifier should strive for an optimal balance between…

Machine Learning · Computer Science 2020-05-28 Thomas Mortier , Marek Wydmuch , Krzysztof Dembczyński , Eyke Hüllermeier , Willem Waegeman

Machine learning (ML) is often viewed as a powerful data analysis tool that is easy to learn because of its black-box nature. Yet this very nature also makes it difficult to quantify confidence in predictions extracted from ML models, and…

Machine Learning · Computer Science 2025-09-30 Paul Patrone , Anthony Kearsley

Complex data features, such as unmodelled censored event times and variables with time-dependent effects, are common in cancer recurrence studies and pose challenges for Bayesian survival modelling. Current methodologies for predictive…

Methodology · Statistics 2026-01-12 Saku Suorsa , Aki Vehtari

This paper tackles the challenge of detecting unreliable behavior in regression algorithms, which may arise from intrinsic variability (e.g., aleatoric uncertainty) or modeling errors (e.g., model uncertainty). First, we formally introduce…

Machine Learning · Computer Science 2024-06-12 Andres Altieri , Marco Romanelli , Georg Pichler , Florence Alberge , Pablo Piantanida

Many prediction tasks can admit multiple models that can perform almost equally well. This phenomenon can can undermine interpretability and safety when competing models assign conflicting predictions to individuals. In this work, we study…

Machine Learning · Computer Science 2025-08-01 Erin George , Deanna Needell , Berk Ustun

Machine learning tasks may admit multiple competing models that achieve similar performance yet produce conflicting outputs for individual samples -- a phenomenon known as predictive multiplicity. We demonstrate that fairness interventions…

Machine Learning · Computer Science 2023-06-19 Carol Xuan Long , Hsiang Hsu , Wael Alghamdi , Flavio P. Calmon

Systems biology models are useful models of complex biological systems that may require a large amount of experimental data to fit each model's parameters or to approximate a likelihood function. These models range from a few to thousands…

Quantitative Methods · Quantitative Biology 2024-07-12 Vincent D. Zaballa , Elliot E. Hui

One of the commonly used approaches to capture dependence in multivariate survival data is through the frailty variables. The identifiability issues should be carefully investigated while modeling multivariate survival with or without…

Methodology · Statistics 2024-07-03 Biswadeep Ghosh , Anup Dewanji , Sudipta Das

Mechanisms used in privacy-preserving machine learning often aim to guarantee differential privacy (DP) during model training. Practical DP-ensuring training methods use randomization when fitting model parameters to privacy-sensitive data…

Machine Learning · Computer Science 2023-05-16 Bogdan Kulynych , Hsiang Hsu , Carmela Troncoso , Flavio P. Calmon

Autonomous systems with machine learning-based perception can exhibit unpredictable behaviors that are difficult to quantify, let alone verify. Such behaviors are convenient to capture in probabilistic models, but probabilistic model…

Logic in Computer Science · Computer Science 2022-03-17 Matthew Cleaveland , Ivan Ruchkin , Oleg Sokolsky , Insup Lee

As automatic optimization techniques find their way into industrial applications, the behavior of many complex systems is determined by some form of planner picking the right actions to optimize a given objective function. In many cases,…

Neural and Evolutionary Computing · Computer Science 2018-10-31 Thomas Gabor , Lenz Belzner , Thomy Phan , Kyrill Schmid
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