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Scientific machine learning (SciML) models are transforming many scientific disciplines. However, the development of good modeling practices to increase the trustworthiness of SciML has lagged behind its application, limiting its potential…

Machine Learning · Computer Science 2025-04-29 John D. Jakeman , Lorena A. Barba , Joaquim R. R. A. Martins , Thomas O'Leary-Roseberry

Cross-validation is a standard tool for obtaining a honest assessment of the performance of a prediction model. The commonly used version repeatedly splits data, trains the prediction model on the training set, evaluates the model…

Machine Learning · Statistics 2025-10-10 Tianyu Pan , Vincent Z. Yu , Viswanath Devanarayan , Lu Tian

Computational models are quantitative representations of systems. By analyzing and comparing the outputs of such models, it is possible to gain a better understanding of the system itself. Though as the complexity of model outputs…

Machine Learning · Computer Science 2022-12-13 Colin G. Cess , Stacey D. Finley

Using a time series model to mimic an observed time series has a long history. However, with regard to this objective, conventional estimation methods for discrete-time dynamical models are frequently found to be wanting. In fact, they are…

Statistics Theory · Mathematics 2015-03-19 Yingcun Xia , Howell Tong

In causal inference, sensitivity models assess how unmeasured confounders could alter causal analyses, but the sensitivity parameter -- which quantifies the degree of unmeasured confounding -- is often difficult to interpret. For this…

Methodology · Statistics 2025-09-04 Alec McClean , Zach Branson , Edward H. Kennedy

Confidence estimation, a task that aims to evaluate the trustworthiness of the model's prediction output during deployment, has received lots of research attention recently, due to its importance for the safe deployment of deep models.…

Computer Vision and Pattern Recognition · Computer Science 2022-10-14 Haoxuan Qu , Yanchao Li , Lin Geng Foo , Jason Kuen , Jiuxiang Gu , Jun Liu

There is a growing need for investigating how machine learning models operate. With this work, we aim to understand trained machine learning models by questioning their data preferences. We propose a mathematical framework that allows us to…

Machine Learning · Computer Science 2025-12-22 Eren Mehmet Kıral , Nurşen Aydın , Ş. İlker Birbil

In this article, we propose a novel quantum regression model by extending the Real-Part Quantum SVM. We apply our model to the problem of stability limit prediction in milling processes, a key component in high-precision manufacturing. To…

Quantum Physics · Physics 2024-12-06 Sascha Mücke , Felix Finkeldey , Nico Piatkowski , Tobias Siebrecht , Petra Wiederkehr

How can we trust the correctness of a learned model on a particular input of interest? Model accuracy is typically measured on average over a distribution of inputs, giving no guarantee for any fixed input. This paper proposes a…

Machine Learning · Computer Science 2025-12-19 Noga Amit , Shafi Goldwasser , Orr Paradise , Guy Rothblum

Sensor-driven systems are increasingly ubiquitous: they provide both data and information that can facilitate real-time decision-making and autonomous actuation, as well as enabling informed policy choices by service providers and…

Software Engineering · Computer Science 2019-02-07 Muffy Calder , Simon Dobson , Michael Fisher , Julie McCann

A key factor in ensuring the accuracy of computer simulations that model physical systems is the proper calibration of their parameters based on real-world observations or experimental data. Inevitably, uncertainties arise, and Bayesian…

Computational Engineering, Finance, and Science · Computer Science 2026-02-25 Daniel Andrés Arcones , Martin Weiser , Phaedon-Stelios Koutsourelakis , Jörg F. Unger

Dynamical systems that evolve continuously over time are ubiquitous throughout science and engineering. Machine learning (ML) provides data-driven approaches to model and predict the dynamics of such systems. A core issue with this approach…

Machine Learning · Computer Science 2023-11-23 Aditi S. Krishnapriyan , Alejandro F. Queiruga , N. Benjamin Erichson , Michael W. Mahoney

Data driven models of dynamical systems help planners and controllers to provide more precise and accurate motions. Most model learning algorithms will try to minimize a loss function between the observed data and the model's predictions.…

Artificial Intelligence · Computer Science 2021-02-12 Clark Zhang , Santiago Paternain , Alejandro Ribeiro

Computer model calibration involves using partial and imperfect observations of the real world to learn which values of a model's input parameters lead to outputs that are consistent with real-world observations. When calibrating models…

Methodology · Statistics 2023-10-31 Wenzhe Xu , Daniel B. Williamson , Frederic Hourdin , Romain Roehrig

Artificial neural networks (NN) are instrumental in realizing highly-automated driving functionality. An overarching challenge is to identify best safety engineering practices for NN and other learning-enabled components. In particular,…

Machine Learning · Computer Science 2018-06-11 Chih-Hong Cheng , Georg Nührenberg , Chung-Hao Huang , Harald Ruess , Hirotoshi Yasuoka

Model-based safety analysis approaches aim at finding critical failure combinations by analysis of models of the whole system (i.e. software, hardware, failure modes and environment). The advantage of these methods compared to traditional…

Logic in Computer Science · Computer Science 2010-06-29 Matthias Güdemann , Frank Ortmeier

Fitting a simplifying model with several parameters to real data of complex objects is a highly nontrivial task, but enables the possibility to get insights into the objects physics. Here, we present a method to infer the parameters of the…

Data Analysis, Statistics and Probability · Physics 2018-12-21 Johannes Oberpriller , T. A. Enßlin

We introduce a framework for calibrating machine learning models so that their predictions satisfy explicit, finite-sample statistical guarantees. Our calibration algorithms work with any underlying model and (unknown) data-generating…

Machine Learning · Computer Science 2022-10-03 Anastasios N. Angelopoulos , Stephen Bates , Emmanuel J. Candès , Michael I. Jordan , Lihua Lei

We present a new method for statistical verification of quantitative properties over a partially unknown system with actions, utilising a parameterised model (in this work, a parametric Markov decision process) and data collected from…

Machine Learning · Computer Science 2017-07-06 Elizabeth Polgreen , Viraj Wijesuriya , Sofie Haesaert , Alessandro Abate

We construct and propose the "Bayesian Validation Metric" (BVM) as a general model validation and testing tool. We find the BVM to be capable of representing all of the standard validation metrics (square error, reliability, probability of…

Methodology · Statistics 2019-10-28 Kevin Vanslette , Tony Tohme , Kamal Youcef-Toumi
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