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Bayesian methods are particularly effective for addressing inverse problems due to their ability to manage uncertainties inherent in the inference process. However, employing these methods with costly forward models poses significant…

Computational Engineering, Finance, and Science · Computer Science 2025-10-30 G. Robalo Rei , C. P. Schmidt , J. Nitzler , M. Dinkel , W. A. Wall

Computational models in fields such as computational neuroscience are often evaluated via stochastic simulation or numerical approximation. Fitting these models implies a difficult optimization problem over complex, possibly noisy parameter…

Machine Learning · Statistics 2017-11-03 Luigi Acerbi , Wei Ji Ma

Fitting a theoretical model to experimental data in a Bayesian manner using Markov chain Monte Carlo typically requires one to evaluate the model thousands (or millions) of times. When the model is a slow-to-compute physics simulation,…

Machine Learning · Statistics 2022-08-25 Steven Stetzler , Michael Grosskopf , Earl Lawrence

The inevitable incompleteness of any collection of PMESII models, along with poorly understood methods for combining heterogeneous models, leads to major uncertainty regarding the reliability of computational tools. This uncertainty is…

Computers and Society · Computer Science 2016-07-25 Alexander Kott , Stephen Morse

We consider Bayesian optimization of an expensive-to-evaluate black-box objective function, where we also have access to cheaper approximations of the objective. In general, such approximations arise in applications such as reinforcement…

Machine Learning · Statistics 2016-11-16 Matthias Poloczek , Jialei Wang , Peter I. Frazier

Data-trained predictive models see widespread use, but for the most part they are used as black boxes which output a prediction or score. It is therefore hard to acquire a deeper understanding of model behavior, and in particular how…

Bilevel optimization, a hierarchical mathematical framework where one optimization problem is nested within another, has emerged as a powerful tool for modeling complex decision-making processes in various fields such as economics,…

Machine Learning · Computer Science 2024-12-25 Omer Ekmekcioglu , Nursen Aydin , Juergen Branke

Model error estimation remains one of the key challenges in uncertainty quantification and predictive science. For computational models of complex physical systems, model error, also known as structural error or model inadequacy, is often…

Computation · Statistics 2024-03-28 Khachik Sargsyan , Xun Huan , Habib N. Najm

We propose a statistical emulator for a climate-economy deterministic integrated assessment model ensemble, based on a functional regression framework. Inference on the unknown parameters is carried out through a mixed effects hierarchical…

Methodology · Statistics 2022-09-14 Luca Aiello , Matteo Fontana , Alessandra Guglielmi

Modeling buildings' heat dynamics is a complex process which depends on various factors including weather, building thermal capacity, insulation preservation, and residents' behavior. Gray-box models offer a causal inference of those…

Machine Learning · Computer Science 2019-02-20 Nilavra Pathak , James Foulds , Nirmalya Roy , Nilanjan Banerjee , Ryan Robucci

Big science initiatives are trying to reconstruct and model the brain by attempting to simulate brain tissue at larger scales and with increasingly more biological detail than previously thought possible. The exponential growth of parallel…

Performance · Computer Science 2020-06-25 Francesco Cremonesi , Georg Hager , Gerhard Wellein , Felix Schürmann

Modelling complex real-world situations such as infectious diseases, geological phenomena, and biological processes can present a dilemma: the computer model (referred to as a simulator) needs to be complex enough to capture the dynamics of…

The optimization of expensive-to-evaluate black-box functions over combinatorial structures is an ubiquitous task in machine learning, engineering and the natural sciences. The combinatorial explosion of the search space and costly…

Machine Learning · Statistics 2018-10-11 Ricardo Baptista , Matthias Poloczek

The topic of deep learning has seen a surge of interest in recent years both within and outside of the field of Statistics. Deep models leverage both nonlinearity and interaction effects to provide superior predictions in many cases when…

Methodology · Statistics 2020-09-18 Paul A. Parker , Scott H. Holan

Computer models are used as replacements for physical experiments in a large variety of applications. Nevertheless, direct use of the computer model for the ultimate scientific objective is often limited by the complexity and cost of the…

Methodology · Statistics 2019-07-03 Sonja Surjanovic , William J. Welch

It is often desirable to build a statistical emulator of a complex computer simulator in order to perform analysis which would otherwise be computationally infeasible. We propose methodology to model multivariate output from a computer…

Methodology · Statistics 2017-01-03 Veronica E. Bowman , David C. Woods

Particle-in-cell simulations are among the most essential tools for the modeling and optimization of laser-plasma accelerators, since they reproduce the physics from first principles. However, the high computational cost associated with…

Smart thermostats are one of the most prevalent home automation products. They learn occupant preferences and schedules, and utilize an accurate thermal model to reduce the energy use of heating and cooling equipment while maintaining the…

Systems and Control · Electrical Eng. & Systems 2021-08-31 Md Monir Hossain , Tianyu Zhang , Omid Ardakanian

Bayesian optimisation has proven to be a powerful tool for expensive global black-box optimisation problems. In this paper, we propose new Bayesian optimisation variants of the popular Knowledge Gradient acquisition functions for problems…

Machine Learning · Computer Science 2025-12-22 Xietao Wang Lin , Juan Ungredda , Max Butler , James Town , Alma Rahat , Hemant Singh , Juergen Branke

As in many fields of dynamic modeling, the long runtime of hydrological models hinders Bayesian inference of model parameters from data. By replacing a model with an approximation of its output as a function of input and/or parameters,…

Methodology · Statistics 2019-10-09 David Machac , Peter Reichert , Jörg Rieckermann , Dario Del Giudice , Carlo Albert
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