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Machine learning models are widely regarded as a way forward to tackle multi-query challenges that arise once expensive black-box simulations such as computational fluid dynamics are investigated. However, ensuring the desired level of…

Machine Learning · Computer Science 2026-01-30 Jigar Parekh , Philipp Bekemeyer

Machine learning interatomic force fields are promising for combining high computational efficiency and accuracy in modeling quantum interactions and simulating atomistic dynamics. Active learning methods have been recently developed to…

Computational Physics · Physics 2023-03-07 Yu Xie , Jonathan Vandermause , Senja Ramakers , Nakib H. Protik , Anders Johansson , Boris Kozinsky

The dynamic emulation of non-linear deterministic computer codes where the output is a time series, possibly multivariate, is examined. Such computer models simulate the evolution of some real-world phenomenon over time, for example models…

Machine Learning · Statistics 2022-03-22 Hossein Mohammadi , Peter Challenor , Marc Goodfellow

Most classification models can be considered as the process of matching templates. However, when intra-class uncertainty/variability is not considered, especially for datasets containing unbalanced classes, this may lead to classification…

Computer Vision and Pattern Recognition · Computer Science 2021-04-13 He Zhu , Shan Yu

Model predictive control allows to provide high performance and safety guarantees in the form of constraint satisfaction. These properties, however, can be satisfied only if the underlying model, used for prediction, of the controlled…

Systems and Control · Electrical Eng. & Systems 2021-02-25 Michael Maiworm , Daniel Limon , Rolf Findeisen

Computational models providing accurate estimates of their uncertainty are crucial for risk management associated with decision making in healthcare contexts. This is especially true since many state-of-the-art systems are trained using the…

Machine Learning · Computer Science 2022-06-09 Hongshu Liu , Nabeel Seedat , Julia Ive

An incremental/online state dynamic learning method is proposed for identification of the nonlinear Gaussian state space models. The method embeds the stochastic variational sparse Gaussian process as the probabilistic state dynamic model…

Machine Learning · Statistics 2016-08-31 Vahid Bastani , Lucio Marcenaro , Carlo Regazzoni

Model-based reinforcement learning is an effective approach for controlling an unknown system. It is based on a longstanding pipeline familiar to the control community in which one performs experiments on the environment to collect a…

Systems and Control · Electrical Eng. & Systems 2024-08-14 Bruce D. Lee , Ingvar Ziemann , George J. Pappas , Nikolai Matni

We develop a simulation-based method for the online updating of Gaussian process regression and classification models. Our method exploits sequential Monte Carlo to produce a fast sequential design algorithm for these models relative to the…

Computation · Statistics 2010-07-07 Robert B. Gramacy , Nicholas G. Polson

We tackle the problem of system identification, where we select inputs, observe the corresponding outputs from the true system, and optimize the parameters of our model to best fit the data. We propose a practical and computationally…

Systems and Control · Electrical Eng. & Systems 2025-10-02 Alexandros E. Tzikas , Mykel J. Kochenderfer

We present a novel online learning algorithm for a class of unknown and uncertain dynamical environments that are fully observable. First, we obtain a novel probabilistic characterization of systems whose mean behavior is known but which…

Systems and Control · Electrical Eng. & Systems 2020-09-08 Dan Li , Dariush Fooladivanda , Sonia Martinez

We investigate the use of derivative information for Batch Active Learning in Gaussian Process regression models. The proposed approach employs the predictive covariance matrix for selection of data batches to exploit full correlation of…

Machine Learning · Computer Science 2024-08-06 Hon Sum Alec Yu , Christoph Zimmer , Duy Nguyen-Tuong

Gaussian process regression is a powerful method for predicting states based on given data. It has been successfully applied for probabilistic predictions of structural systems to quantify, for example, the crack growth in mechanical…

Machine Learning · Statistics 2022-06-20 Simon Pfingstl , Markus Zimmermann

Many active learning methods belong to the retraining-based approaches, which select one unlabeled instance, add it to the training set with its possible labels, retrain the classification model, and evaluate the criteria that we base our…

Machine Learning · Statistics 2017-03-01 Yazhou Yang , Marco Loog

This paper develops an online algorithm to solve a time-varying optimization problem with an objective that comprises a known time-varying cost and an unknown function. This problem structure arises in a number of engineering systems and…

Optimization and Control · Mathematics 2021-11-29 Andrea Simonetto , Emiliano Dall'Anese , Julien Monteil , Andrey Bernstein

In the field of reinforcement learning there has been recent progress towards safety and high-confidence bounds on policy performance. However, to our knowledge, no practical methods exist for determining high-confidence policy performance…

Artificial Intelligence · Computer Science 2018-06-26 Daniel S. Brown , Scott Niekum

The field of explainable artificial intelligence (XAI) attempts to develop methods that provide insight into how complicated machine learning methods make predictions. Many methods of explanation have focused on the concept of feature…

Machine Learning · Computer Science 2024-03-13 Kurt Butler , Guanchao Feng , Petar M. Djuric

Given a multivariate function taking deterministic and uncertain inputs, we consider the problem of estimating a quantile set: a set of deterministic inputs for which the probability that the output belongs to a specific region remains…

Applications · Statistics 2025-07-25 Romain Ait Abdelmalek-Lomenech , Julien Bect , Emmanuel Vazquez

Multi-task learning requires accurate identification of the correlations between tasks. In real-world time-series, tasks are rarely perfectly temporally aligned; traditional multi-task models do not account for this and subsequent errors in…

Many real-world applications demand accurate and fast predictions, as well as reliable uncertainty estimates. However, quantifying uncertainty on high-dimensional predictions is still a severely under-investigated problem, especially when…

Computational Engineering, Finance, and Science · Computer Science 2025-02-04 Saurabh Deshpande , Hussein Rappel , Mark Hobbs , Stéphane P. A. Bordas , Jakub Lengiewicz