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Computational models provide crucial insights into complex biological processes such as cancer evolution, but their mechanistic nature often makes them nonlinear and parameter-rich, complicating calibration. We systematically evaluate…

Analysis of PDEs · Mathematics 2025-09-24 Christina Schenk , Jacobo Ayensa Jiménez , Ignacio Romero

The performance of deep (reinforcement) learning systems crucially depends on the choice of hyperparameters. Their tuning is notoriously expensive, typically requiring an iterative training process to run for numerous steps to convergence.…

Machine Learning · Computer Science 2021-01-19 Vu Nguyen , Sebastian Schulze , Michael A Osborne

The Bradley-Terry model is a popular approach to describe probabilities of the possible outcomes when elements of a set are repeatedly compared with one another in pairs. It has found many applications including animal behaviour, chess…

Methodology · Statistics 2015-03-17 Francois Caron , Arnaud Doucet

In this article, three optimization approaches are exploited to improve the performance of a permanent magnet-assisted synchronous reluctance machine: a first optimization using fixed substitution models and two Bayesian optimization…

Optimization and Control · Mathematics 2023-10-03 Adan Reyes Reyes , André Nasr , Delphine Sinoquet , Sami Hlioui

The parameters of support vector machines (SVMs) such as the penalty parameter and the kernel parameters have a great impact on the classification accuracy and the complexity of the SVM model. Therefore, the model selection in SVM involves…

Machine Learning · Computer Science 2020-07-13 Alaa Tharwat

Accurate positioning and fast traversal times determine the productivity in machining applications. This paper demonstrates a hierarchical contour control implementation for the increase of productivity in positioning systems. The…

Systems and Control · Electrical Eng. & Systems 2024-04-30 Alisa Rupenyan , Mohammad Khosravi , John Lygeros

Software is highly contextual. While there are cross-cutting `global' lessons, individual software projects exhibit many `local' properties. This data heterogeneity makes drawing local conclusions from global data dangerous. A key research…

Software Engineering · Computer Science 2018-04-10 Neil A. Ernst

Gaussian graphical models are widely used to infer dependence structures. Bayesian methods are appealing to quantify uncertainty associated with structural learning, i.e., the plausibility of conditional independence statements given the…

Methodology · Statistics 2025-11-05 Deborah Sulem , Jack Jewson , David Rossell

We consider single and multiobjective simulation-based optimization problems. Simulation-based optimization has traditionally used both model-based and search-based methods, often in isolation. Model-based methods include trust region…

Optimization and Control · Mathematics 2026-04-20 Zijun Li , Aswin Kannan

Hierarchical Bayesian models based on Gaussian processes are considered useful for describing complex nonlinear statistical dependencies among variables in real-world data. However, effective Monte Carlo algorithms for inference with these…

Machine Learning · Statistics 2025-11-11 Takashi Hayakawa , Satoshi Asai

Fueled by the call for formative assessments, diagnostic classification models (DCMs) have recently gained popularity in psychometrics. Despite their potential for providing diagnostic information that aids in classroom instruction and…

Computation · Statistics 2022-08-26 Motonori Oka , Kensuke Okada

We focus on improving the accuracy of an approximate model of a multiscale dynamical system that uses a set of parameter-dependent terms to account for the effects of unresolved or neglected dynamics on resolved scales. We start by…

Computational Physics · Physics 2019-06-26 Balasubramanya T. Nadiga , Chiyu Jiang , Daniel Livescu

Bayesian methods, distributionally robust optimization methods, and regularization methods are three pillars of trustworthy machine learning combating distributional uncertainty, e.g., the uncertainty of an empirical distribution compared…

Machine Learning · Computer Science 2024-03-26 Shixiong Wang , Haowei Wang

Molecular Dynamics (MD) simulations are essential for accurately predicting the physical and chemical properties of large molecular systems across various pressure and temperature ensembles. However, the high computational costs associated…

The experimental evaluation of algorithms results in a large set of data which generally do not follow a normal distribution or are not heteroscedastic. Besides, some of its entries may be missing, due to the inability of an algorithm to…

Machine Learning · Computer Science 2019-08-16 Iago A Carvalho

The Bayesian Conjugate Gradient method (BayesCG) is a probabilistic generalization of the Conjugate Gradient method (CG) for solving linear systems with real symmetric positive definite coefficient matrices. Our CG-based implementation of…

Numerical Analysis · Mathematics 2022-10-04 Tim W. Reid , Ilse C. F. Ipsen , Jon Cockayne , Chris J. Oates

The solution for non-linear, complex partial differential Equations (PDEs) is achieved through numerical approximations, which yield a linear system of equations. This approach is prevalent in Computational Fluid Dynamics (CFD), but it…

Fluid Dynamics · Physics 2024-09-06 Ferdin Sagai Don Bosco , Dhamotharan S , Rut Lineswala , Abhishek Chopra

Complex robot navigation and control problems can be framed as policy search problems. However, interactive learning in uncertain environments can be expensive, requiring the use of data-efficient methods. Bayesian optimization is an…

Machine Learning · Computer Science 2025-01-29 Javier Garcia-Barcos , Ruben Martinez-Cantin

Lattice Boltzmann methods (LBM) are an important part of current computational fluid dynamics (CFD). They allow easy implementations and boundary handling. However, competitive time to solution not only depends on the choice of a reasonable…

Performance · Computer Science 2018-04-18 Markus Wittmann , Viktor Haag , Thomas Zeiser , Harald Köstler , Gerhard Wellein

Bayesian Optimization (BO) is a class of black-box, surrogate-based heuristics that can efficiently optimize problems that are expensive to evaluate, and hence admit only small evaluation budgets. BO is particularly popular for solving…

Machine Learning · Computer Science 2024-06-25 Maria Laura Santoni , Elena Raponi , Renato De Leone , Carola Doerr