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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

Deep convolutional neural networks have demonstrated promising performance on image classification tasks, but the manual design process becomes more and more complex due to the fast depth growth and the increasingly complex topologies of…

Computer Vision and Pattern Recognition · Computer Science 2020-07-06 Bin Wang , Bing Xue , Mengjie Zhang

Most applications of Bayesian Inference for parameter estimation and model selection in astrophysics involve the use of Monte Carlo techniques such as Markov Chain Monte Carlo (MCMC) and nested sampling. However, these techniques are time…

Instrumentation and Methods for Astrophysics · Physics 2022-01-26 Geetakrishnasai Gunapati , Anirudh Jain , P. K. Srijith , Shantanu Desai

Markov Chain Monte Carlo (MCMC) proves to be powerful for Bayesian inference and in particular for exoplanet radial velocity fitting because MCMC provides more statistical information and makes better use of data than common approaches like…

Instrumentation and Methods for Astrophysics · Physics 2014-01-30 Fengji Hou , Jonathan Goodman , David W. Hogg , Jonathan Weare , Christian Schwab

For many novel applications, such as patient-specific computer-aided surgery, conventional solution techniques of the underlying nonlinear problems are usually computationally too expensive and are lacking information about how certain can…

Machine Learning · Computer Science 2022-07-18 Saurabh Deshpande , Jakub Lengiewicz , Stéphane P. A. Bordas

PAC-Bayes learning is a comprehensive setting for (i) studying the generalisation ability of learning algorithms and (ii) deriving new learning algorithms by optimising a generalisation bound. However, optimising generalisation bounds might…

Machine Learning · Statistics 2024-11-27 Antoine Picard-Weibel , Roman Moscoviz , Benjamin Guedj

Large-scale numerical simulations underpin modern scientific discovery but remain constrained by prohibitive computational costs. AI surrogates offer acceleration, yet adoption in mission-critical settings is limited by concerns over…

Machine Learning · Computer Science 2025-09-30 Dawei Gao , Dali Wang , Zhuowei Gu , Qinglei Cao , Xiao Wang , Peter Thornton , Dan Ricciuto , Yunhe Feng

Specifying a governing physical model in the presence of missing physics and recovering its parameters are two intertwined and fundamental problems in science. Modern machine learning allows one to circumvent these, via emulators and…

Machine Learning · Computer Science 2020-06-30 Daniel J. Tait , Theodoros Damoulas

We present a new approach for constructing a data-driven surrogate model and using it for Bayesian parameter estimation in partial differential equation (PDE) models. We first use parameter observations and Gaussian Process regression to…

Numerical Analysis · Mathematics 2020-07-15 Jing Li , Alexandre M Tartakovsky

We develop a general framework for piecewise deterministic Markov process (PDMP) samplers that enables efficient Bayesian inference in non-linear inverse problems with expensive likelihoods. The key ingredient is a surrogate-assisted…

Parameter estimation in structural dynamics generally involves inferring the values of physical, geometric, or even customized parameters based on first principles or expert knowledge, which is challenging for complex structural systems. In…

Computational Engineering, Finance, and Science · Computer Science 2025-04-08 Mingyuan Zhou , Haoze Song , Wenjing Ye , Wei Wang , Zhilu Lai

Data-driven genetic programming (GP) has proven highly effective in solving combinatorial optimization problems under dynamic and uncertain environments. A central challenge lies in fast fitness evaluations on large training datasets,…

Neural and Evolutionary Computing · Computer Science 2025-04-16 Leshan Tan , Chenwei Jin , Xinan Chen , Rong Qu , Ruibin Bai

This paper presents a surrogate modelling technique based on domain partitioning for Bayesian parameter inference of highly nonlinear engineering models. In order to alleviate the computational burden typically involved in Bayesian…

Computational Engineering, Finance, and Science · Computer Science 2022-12-06 J. C. García-Merino , C. Calvo-Jurado , E. Martínez-Pañeda , E. García-Macías

Machine learning methods are increasingly used to build computationally inexpensive surrogates for complex physical models. The predictive capability of these surrogates suffers when data are noisy, sparse, or time-dependent. As we are…

Machine Learning · Computer Science 2024-05-20 A. Diaw , M. McKerns , I. Sagert , L. G. Stanton , M. S. Murillo

We present a surrogate model of \texttt{SEOBNRv4PHM}, a fully precessing time-domain effective-one-body waveform model including subdominant modes. We follow an approach similar to that used to build recent numerical relativity surrogate…

General Relativity and Quantum Cosmology · Physics 2025-09-16 Bhooshan Gadre , Michael Pürrer , Scott E. Field , Serguei Ossokine , Vijay Varma

We introduce Preconditioned Monte Carlo (PMC), a novel Monte Carlo method for Bayesian inference that facilitates efficient sampling of probability distributions with non-trivial geometry. PMC utilises a Normalising Flow (NF) in order to…

Instrumentation and Methods for Astrophysics · Physics 2022-08-24 Minas Karamanis , Florian Beutler , John A. Peacock , David Nabergoj , Uros Seljak

Learning controller parameters from closed-loop data has been shown to improve closed-loop performance. Bayesian optimization, a widely used black-box and sample-efficient learning method, constructs a probabilistic surrogate of the…

Machine Learning · Computer Science 2025-12-15 Sebastian Hirt , Valentinus Suwanto , Hendrik Alsmeier , Maik Pfefferkorn , Rolf Findeisen

We create an data-efficient and accurate surrogate model for structure-property linkages of spinodoid metamaterials with only 75 data points -- far fewer than the several thousands used in prior works -- and demonstrate its use in…

Computational Engineering, Finance, and Science · Computer Science 2025-05-12 Max Rosenkranz , Markus Kästner , Ivo F. Sbalzarini

Bayesian optimization (BO) has well-documented merits for optimizing black-box functions with an expensive evaluation cost. Such functions emerge in applications as diverse as hyperparameter tuning, drug discovery, and robotics. BO hinges…

Machine Learning · Statistics 2026-05-28 Qin Lu , Konstantinos D. Polyzos , Bingcong Li , Georgios B. Giannakis

Machine learning and artificial neural networks (ANNs) have increasingly become integral to data analysis research in astrophysics due to the growing demand for fast calculations resulting from the abundance of observational data.…

General Relativity and Quantum Cosmology · Physics 2023-09-11 Ioannis Liodis , Evaggelos Smirniotis , Nikolaos Stergioulas