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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

Tsetlin Machines (TsMs) are a promising and interpretable machine learning method which can be applied for various classification tasks. We present an exact encoding of TsMs into propositional logic and formally verify properties of TsMs…

Machine Learning · Computer Science 2023-07-04 Emilia Przybysz , Bimal Bhattarai , Cosimo Persia , Ana Ozaki , Ole-Christoffer Granmo , Jivitesh Sharma

Accurate uncertainty quantification is a critical challenge in machine learning. While neural networks are highly versatile and capable of learning complex patterns, they often lack interpretability due to their ``black box'' nature. On the…

Machine Learning · Computer Science 2025-11-18 Pragatheeswaran Vipulananthan , Kamal Premaratne , Dilip Sarkar , Manohar N. Murthi

The Tsetlin Machine (TM) offers high-speed inference on resource-constrained devices such as CPUs. Its logic-driven operations naturally lend themselves to parallel execution on modern CPU architectures. Motivated by this, we propose an…

Machine Learning · Computer Science 2025-10-20 Yefan Zeng , Shengyu Duan , Rishad Shafik , Alex Yakovlev

Increasingly high-stakes decisions are made using neural networks in order to make predictions. Specifically, meteorologists and hedge funds apply these techniques to time series data. When it comes to prediction, there are certain…

Machine Learning · Computer Science 2022-11-14 Levente Foldesi , Matias Valdenegro-Toro

Uncertainty quantification is crucial for building reliable and trustable machine learning systems. We propose to estimate uncertainty in recurrent neural networks (RNNs) via stochastic discrete state transitions over recurrent timesteps.…

Machine Learning · Computer Science 2020-11-25 Cheng Wang , Carolin Lawrence , Mathias Niepert

In the past decades, most work in the area of data analysis and machine learning was focused on optimizing predictive models and getting better results than what was possible with existing models. To what extent the metrics with which such…

Machine Learning · Statistics 2024-05-06 Nicolas Dewolf

Machine Learning Interatomic Potentials (MLIPs) achieve near ab initio accuracy at a fraction of the cost of quantum-mechanical simulations, yet they remain prone to silent failures on out-of-distribution configurations, making principled…

Computational Engineering, Finance, and Science · Computer Science 2026-05-27 Olga Zaghen , Maksim Zhdanov , Dario Coscia , David R. Wessels , Erik J. Bekkers

Prospect Theory (PT) models human decision-making behaviour under uncertainty, among which linguistic uncertainty is commonly adopted in real-world scenarios. Although recent studies have developed some frameworks to test PT parameters for…

Artificial Intelligence · Computer Science 2026-04-13 Rui Wang , Qihan Lin , Jiayu Liu , Qing Zong , Tianshi Zheng , Dadi Guo , Haochen Shi , Weiqi Wang , Yangqiu Song

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

Uncertainty estimation is essential for robust decision-making in the presence of ambiguous or out-of-distribution inputs. Gaussian Processes (GPs) are classical kernel-based models that offer principled uncertainty quantification and…

Machine Learning · Statistics 2026-04-30 Albert Saiapin , Kim Batselier

Effective quantification of uncertainty is an essential and still missing step towards a greater adoption of deep-learning approaches in different applications, including mission-critical ones. In particular, investigations on the…

Machine Learning · Computer Science 2023-04-14 Marco Forgione , Dario Piga

Reliable probability estimation is of crucial importance in many real-world applications where there is inherent (aleatoric) uncertainty. Probability-estimation models are trained on observed outcomes (e.g. whether it has rained or not, or…

Decision Focused Learning has emerged as a critical paradigm for integrating machine learning with downstream optimisation. Despite its promise, existing methodologies predominantly rely on probabilistic models and focus narrowly on task…

Machine Learning · Computer Science 2025-03-21 Keivan Shariatmadar , Neil Yorke-Smith , Ahmad Osman , Fabio Cuzzolin , Hans Hallez , David Moens

Machine learning has become an effective tool for automatically annotating unstructured data (e.g., images) with structured labels (e.g., object detections). As a result, a new programming paradigm called neurosymbolic programming has…

Programming Languages · Computer Science 2024-05-28 Ramya Ramalingam , Sangdon Park , Osbert Bastani

ML models have errors when used for predictions. The errors are unknown but can be quantified by model uncertainty. When multiple ML models are trained using the same training points, their model uncertainties may be statistically…

Machine Learning · Statistics 2025-09-23 Xiaoping Du

Prediction deviations of different uncertainties have varying impacts on downstream decision-making. Improving the prediction accuracy of critical uncertainties with significant impacts on decision-making quality yields better optimization…

Systems and Control · Electrical Eng. & Systems 2025-10-17 Yingrui Zhuang , Lin Cheng , Can Wan , Rui Xie , Ning Qi , Yue Chen

Modern machine learning methods including deep learning have achieved great success in predictive accuracy for supervised learning tasks, but may still fall short in giving useful estimates of their predictive {\em uncertainty}. Quantifying…

Techniques for understanding the functioning of complex machine learning models are becoming increasingly popular, not only to improve the validation process, but also to extract new insights about the data via exploratory analysis. Though…

Machine Learning · Statistics 2018-11-02 Jayaraman J. Thiagarajan , Irene Kim , Rushil Anirudh , Peer-Timo Bremer

Accurate representations of unknown and sub-grid physical processes through parameterizations (or closure) in numerical simulations with quantified uncertainty are critical for resolving the coarse-grained partial differential equations…

Machine Learning · Computer Science 2024-05-08 Yongquan Qu , Mohamed Aziz Bhouri , Pierre Gentine