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Cross-validation is one of the most popular model selection methods in statistics and machine learning. Despite its wide applicability, traditional cross validation methods tend to select overfitting models, due to the ignorance of the…

统计方法学 · 统计学 2017-12-25 Jing Lei

Global optimization of expensive functions has important applications in physical and computer experiments. It is a challenging problem to develop efficient optimization scheme, because each function evaluation can be costly and the…

机器学习 · 统计学 2020-01-22 Ray-Bing Chen , Yuan Wang , C. F. Jeff Wu

A radial basis function (RBF) based sequential surrogate reliability method (SSRM) is proposed, in which a special optimization problem is solved to update the surrogate model of the limit state function (LSF) iteratively. The objective of…

统计计算 · 统计学 2017-06-27 Xu Li , Chunlin Gong , Liangxian Gu , Wenkun Gao , Zhao Jing , Hua Su

We present algorithms that substantially accelerate partition-based cross-validation for machine learning models that require matrix products $\mathbf{X}^\mathbf{T}\mathbf{X}$ and $\mathbf{X}^\mathbf{T}\mathbf{Y}$. Our algorithms have…

机器学习 · 计算机科学 2025-09-29 Ole-Christian Galbo Engstrøm , Martin Holm Jensen

Kriging-based surrogate models have become very popular during the last decades to approximate a computer code output from few simulations. In practical applications, it is very common to sequentially add new simulations to obtain more…

统计理论 · 数学 2012-10-31 Loic Le Gratiet , Claire Cannamela

We present a novel machine learning-based approach to generate fast-executing virtual radiofrequency quadrupole (RFQ) particle accelerators using surrogate modelling. These could potentially be used as on-line feedback tools during beam…

加速器物理 · 物理学 2021-12-07 Daniel Koser , Loyd Waites , Daniel Winklehner , Matthias Frey , Andreas Adelmann , Janet Conrad

Cross-validation is a widely used technique for evaluating the performance of prediction models, ranging from simple binary classification to complex precision medicine strategies. It helps correct for optimism bias in error estimates,…

When selecting a classification algorithm to be applied to a particular problem, one has to simultaneously select the best algorithm for that dataset \emph{and} the best set of hyperparameters for the chosen model. The usual approach is to…

机器学习 · 计算机科学 2018-09-26 Jacques Wainer , Gavin Cawley

We present a novel way of accelerating hybrid surrogate methods for the calculation of failure probabilities. The main idea is to use mesh refinement in order to obtain improved local surrogates of low computation cost to simulate on. These…

数值分析 · 数学 2015-09-23 Jing Li , Panos Stinis

In this dissertation, we focus on several important problems in structured prediction. In structured prediction, the label has a rich intrinsic substructure, and the loss varies with respect to the predicted label and the true label pair.…

机器学习 · 计算机科学 2018-09-18 Heejin Choi

Automatically searching for optimal hyperparameter configurations is of crucial importance for applying deep learning algorithms in practice. Recently, Bayesian optimization has been proposed for optimizing hyperparameters of various…

人工智能 · 计算机科学 2017-01-24 Ilija Ilievski , Taimoor Akhtar , Jiashi Feng , Christine Annette Shoemaker

In this paper we present a new fast and accurate method for Radial Basis Function (RBF) approximation, including interpolation as a special case, which enables us to effectively find the optimal value of the RBF shape parameter. In…

数值分析 · 数学 2023-11-09 Roberto Cavoretto , Alessandra De Rossi , Sandro Lancellotti

Super learner algorithm can be applied to combine results of multiple base learners to improve quality of predictions. The default method for verification of super learner results is by nested cross validation. It has been proposed by…

机器学习 · 计算机科学 2020-03-19 Krzysztof Mnich , Agnieszka Kitlas Golińska , Aneta Polewko-Klim , Witold R. Rudnicki

We give the first mathematically rigorous analysis of an emerging approach to finite element analysis (see, e.g., Bauer et al. [Appl. Numer. Math., 2017]), which we hereby refer to as the surrogate matrix methodology. This methodology is…

数值分析 · 数学 2020-08-11 Daniel Drzisga , Brendan Keith , Barbara Wohlmuth

In this paper we refine the process of computing calibration functions for a number of multiclass classification surrogate losses. Calibration functions are a powerful tool for easily converting bounds for the surrogate risk (which can be…

机器学习 · 统计学 2016-09-22 Bernardo Ávila Pires , Csaba Szepesvári

Objective: Deep learning-based deformable image registration has achieved strong accuracy, but remains sensitive to variations in input image characteristics such as artifacts, field-of-view mismatch, or modality difference. We aim to…

计算机视觉与模式识别 · 计算机科学 2025-09-15 Yihao Liu , Junyu Chen , Lianrui Zuo , Shuwen Wei , Brian D. Boyd , Carmen Andreescu , Olusola Ajilore , Warren D. Taylor , Aaron Carass , Bennett A. Landman

The growing availability of computational resources has significantly increased the interest of the scientific community in performing complex multi-physics and multi-domain simulations. However, the generation of appropriate computational…

数值分析 · 数学 2026-04-03 Daniele Moretto , Andrea Franceschini , Massimiliano Ferronato

The accurate and efficient simulation of Partial Differential Equations (PDEs) in and around arbitrarily defined geometries is critical for many application domains. Immersed boundary methods (IBMs) alleviate the usually laborious and…

Cross-validation (CV) is one of the main tools for performance estimation and parameter tuning in machine learning. The general recipe for computing CV estimate is to run a learning algorithm separately for each CV fold, a computationally…

机器学习 · 统计学 2015-07-02 Pooria Joulani , András György , Csaba Szepesvári

Many varieties of cross validation would be statistically appealing for the estimation of smoothing and other penalized regression hyperparameters, were it not for the high cost of evaluating such criteria. Here it is shown how to…

统计方法学 · 统计学 2025-11-06 Simon N. Wood
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