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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…

Monte Carlo methods to evaluate and maximize the likelihood function enable the construction of confidence intervals and hypothesis tests, facilitating scientific investigation using models for which the likelihood function is intractable.…

Methodology · Statistics 2017-02-13 Edward L. Ionides , Carles Breto , Joonha Park , Richard A. Smith , Aaron A. King

Hidden Markov models can describe time series arising in various fields of science, by treating the data as noisy measurements of an arbitrarily complex Markov process. Sequential Monte Carlo (SMC) methods have become standard tools to…

Methodology · Statistics 2015-05-19 Pierre E. Jacob

The evaluation of nursing homes is usually based on the administration of questionnaires made of a large number of polytomous items. In such a context, the Latent Class (LC) model represents a useful tool for clustering subjects in…

Applications · Statistics 2014-07-16 Francesco Bartolucci , Giorgio E. Montanari , Silvia Pandolfi

Accurate EV power estimation underpins range prediction and energy management, yet practitioners need both point accuracy and trustworthy uncertainty. We propose an anchored-ensemble Long Short-Term Memory (LSTM) with a Student-t likelihood…

Machine Learning · Computer Science 2025-11-11 Ghazal Farhani , Taufiq Rahman , Kieran Humphries

Optimization models have been broadly used within side the energy industry as useful decision-making systems for scheduling and dispatching electric powered energy resources; this is applied in a system called unit commitment (UC). Unit…

Optimization and Control · Mathematics 2022-04-01 Angel Zambrano

Model predictive control (MPC) is a powerful tool for controlling complex nonlinear systems under constraints, but often struggles with model uncertainties and the design of suitable cost functions. To address these challenges, we discuss…

Systems and Control · Electrical Eng. & Systems 2024-10-08 Sebastian Hirt , Andreas Höhl , Johannes Pohlodek , Joachim Schaeffer , Maik Pfefferkorn , Richard D. Braatz , Rolf Findeisen

Reliable uncertainty estimation is crucial for machine learning models, especially in safety-critical domains. While exact Bayesian inference offers a principled approach, it is often computationally infeasible for deep neural networks.…

Machine Learning · Computer Science 2025-12-18 Aslak Djupskås , Alexander Johannes Stasik , Signe Riemer-Sørensen

Modelling uncertainty in Machine Learning models is essential for achieving safe and reliable predictions. Most research on uncertainty focuses on output uncertainty (predictions), but minimal attention is paid to uncertainty at inputs. We…

Machine Learning · Computer Science 2024-06-28 Matias Valdenegro-Toro , Ivo Pascal de Jong , Marco Zullich

This work develops a measurement-driven and model-based formal verification approach, applicable to systems with partly unknown dynamics. We provide a principled method, grounded on reachability analysis and on Bayesian inference, to…

Systems and Control · Computer Science 2015-09-14 Sofie Haesaert , Paul M. J. Van den Hof , Alessandro Abate

Mean Opinion Score (MOS) prediction has made significant progress in specific domains. However, the unstable performance of MOS prediction models across diverse samples presents ongoing challenges in the practical application of these…

Machine Learning · Computer Science 2024-08-26 Hui Wang , Shiwan Zhao , Jiaming Zhou , Xiguang Zheng , Haoqin Sun , Xuechen Wang , Yong Qin

Variable selection in linear regression settings is a much discussed problem. Best subset selection (BSS) is often considered the intuitive 'gold standard', with its use being restricted only by its NP-hard nature. Alternatives such as the…

Methodology · Statistics 2023-02-24 Moritz Hanke , Louis Dijkstra , Ronja Foraita , Vanessa Didelez

The System Usability Scale (SUS) is a short, survey-based approach used to determine the usability of a system from an end user perspective once a prototype is available for assessment. Individual scores are gathered using a 10-question…

Methodology · Statistics 2021-01-26 Nicholas Clark , Matthew Dabkowski , Patrick Driscoll , Dereck Kennedy , Ian Kloo , Heidy Shi

Large language models (LLMs) are increasingly used to simulate human behavior, but common practices to use LLM-generated data are inefficient. Treating an LLM's output ("model choice") as a single data point underutilizes the information…

Artificial Intelligence · Computer Science 2025-12-30 Hongshen Sun , Juanjuan Zhang

Prominent features of simulated moving bed (SMB) chromatography processes in the downstream processing is based on the determination of operating conditions. However, effects of different types of uncertainties have to be studied and…

Computational Engineering, Finance, and Science · Computer Science 2021-07-16 Qiao-Le He , Liming Zhao

Instruction tuning has become the de facto method to equip large language models (LLMs) with the ability of following user instructions. Usually, hundreds of thousands or millions of instruction-following pairs are employed to fine-tune the…

Computation and Language · Computer Science 2023-11-28 Qianlong Du , Chengqing Zong , Jiajun Zhang

Model Predictive Control (MPC) has established itself as the primary methodology for constrained control, enabling autonomy across diverse applications. While model fidelity is crucial in MPC, solving the corresponding optimization problem…

Systems and Control · Electrical Eng. & Systems 2026-04-23 Lukas Schroth , Daniel Morton , Amon Lahr , Daniele Gammelli , Andrea Carron , Marco Pavone

This paper introduces a generalised version of importance subsampling for time series reduction/aggregation in optimisation-based power system planning models. Recent studies indicate that reliably determining optimal electricity…

Applications · Statistics 2020-08-26 Adriaan P Hilbers , David J Brayshaw , Axel Gandy

Automated methods for discovering mechanistic simulator models from observational data offer a promising path toward accelerating scientific progress. Such methods often take the form of agentic-style iterative workflows that repeatedly…

Machine Learning · Computer Science 2026-02-23 Stefan Wahl , Raphaela Schenk , Ali Farnoud , Jakob H. Macke , Daniel Gedon

The uncertainty of classification outcomes is of crucial importance for many safety critical applications including, for example, medical diagnostics. In such applications the uncertainty of classification can be reliably estimated within a…

Artificial Intelligence · Computer Science 2007-05-23 V. Schetinin , J. E. Fieldsend , D. Partridge , W. J. Krzanowski , R. M. Everson , T. C. Bailey , A. Hernandez
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