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The performance of Bayesian optimization (BO), a highly sample-efficient method for expensive black-box problems, is critically governed by the selection of its hyperparameters, including the kernel and acquisition functions. This presents…

Machine Learning · Computer Science 2026-05-25 Joon-Hyun Park , Mujin Cheon , Jeongsu Wi , Dong-Yeun Koh

Orthogonality constrained optimization is widely used in applications from science and engineering. Due to the nonconvex orthogonality constraints, many numerical algorithms often can hardly achieve the global optimality. We aim at…

Optimization and Control · Mathematics 2019-06-18 Honglin Yuan , Xiaoyi Gu , Rongjie Lai , Zaiwen Wen

Results from multiple diagnostic tests are usually combined to improve the overall diagnostic accuracy. For binary classification, maximization of the empirical estimate of the area under the receiver operating characteristic (ROC) curve is…

Methodology · Statistics 2026-04-16 Raju Maiti , Jialiang Li , Priyam Das , Lei Feng , Derek Hausenloy , Bibhas Chakraborty

This paper considers Bayesian optimization (BO) for problems with known outer problem structure. In contrast to the classic BO setting, where the objective function itself is unknown and needs to be iteratively estimated from noisy…

Optimization and Control · Mathematics 2025-03-19 Katrin Baumgärtner , Moritz Diehl

The loss function for bounding box regression (BBR) is essential to object detection. Its good definition will bring significant performance improvement to the model. Most existing works assume that the examples in the training data are…

Computer Vision and Pattern Recognition · Computer Science 2023-04-11 Zanjia Tong , Yuhang Chen , Zewei Xu , Rong Yu

In the context of a binary classification problem, the optimal linear combination of continuous predictors can be estimated by maximizing an empirical estimate of the area under the receiver operating characteristic (ROC) curve (AUC). For…

A general, variational approach to derive low-order reduced systems is presented. The approach is based on the concept of optimal parameterizing manifold (OPM) that substitutes the more classical notions of invariant or slow manifold when…

Dynamical Systems · Mathematics 2023-09-18 Mickaël D. Chekroun , Honghu Liu , James C. McWilliams

Bayesian Optimisation (BO) methods seek to find global optima of objective functions which are only available as a black-box or are expensive to evaluate. Such methods construct a surrogate model for the objective function, quantifying the…

Machine Learning · Statistics 2023-01-10 Enrico Crovini , Simon L. Cotter , Konstantinos Zygalakis , Andrew B. Duncan

The pursuit of universal black-box optimization (BBO) algorithms is a longstanding goal. However, unlike domains such as language or vision, where scaling structured data has driven generalization, progress in offline BBO remains hindered…

Machine Learning · Computer Science 2025-06-10 Rong-Xi Tan , Ming Chen , Ke Xue , Yao Wang , Yaoyuan Wang , Sheng Fu , Chao Qian

Bayesian optimization (BO) is a popular approach for sample-efficient optimization of black-box objective functions. While BO has been successfully applied to a wide range of scientific applications, traditional approaches to…

Machine Learning · Computer Science 2023-05-04 Natalie Maus , Kaiwen Wu , David Eriksson , Jacob Gardner

We introduce BLOC (Black-box Optimization over Correlation matrices), a general framework for sparse covariance estimation with non-convex penalties. BLOC operates on the manifold of correlation matrices and reparameterizes it via an…

Methodology · Statistics 2026-04-01 Priyam Das , Trambak Banerjee , Prajamitra Bhuyan

Bayesian optimization (BO) and its batch extensions are successful for optimizing expensive black-box functions. However, these traditional BO approaches are not yet ideal for optimizing less expensive functions when the computational cost…

Machine Learning · Computer Science 2018-11-06 Vu Nguyen , Sunil Gupta , Santu Rana , Cheng Li , Svetha Venkatesh

Gradient-free black-box optimization (BBO) is widely used in engineering design and provides a flexible framework for topology optimization (TO), enabling the discovery of high-performing structural designs without requiring gradient…

Neural and Evolutionary Computing · Computer Science 2026-02-03 Jelle Westra , Iván Olarte Rodríguez , Niki van Stein , Thomas Bäck , Elena Raponi

We present a new accelerated gradient-based method for solving smooth unconstrained optimization problems. The goal is to embed a heavy-ball type of momentum into the Fast Gradient Method (FGM). For this purpose, we devise a generalization…

Optimization and Control · Mathematics 2021-11-02 Endrit Dosti , Sergiy A. Vorobyov , Themistoklis Charalambous

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

In this work, we utilize a Trust Region based Derivative Free Optimization (DFO-TR) method to directly maximize the Area Under Receiver Operating Characteristic Curve (AUC), which is a nonsmooth, noisy function. We show that AUC is a smooth…

Machine Learning · Computer Science 2017-03-22 Hiva Ghanbari , Katya Scheinberg

The need for multiple interactive, real-time simulations using different parameter values has driven the design of fast numerical algorithms with certifiable accuracies. The reduced basis method (RBM) presents itself as such an option. RBM…

Numerical Analysis · Mathematics 2021-01-18 Yanlai Chen , Sigal Gottlieb , Lijie Ji , Yvon Maday

This paper proposes a novel computationally efficient dynamic bi-orthogonality based approach for calibration of a computer simulator with high dimensional parametric and model structure uncertainty. The proposed method is based on a…

Computation · Statistics 2012-11-14 Piyush Tagade , Han-Lim Choi

We apply the Proper Orthogonal Decomposition (POD) method for the efficient simulation of several scenarios undergone by Micro-Electro-Mechanical-Systems, involving nonlinearites of geometric and electrostatic nature. The former type of…

Numerical Analysis · Mathematics 2022-02-22 Gobat G. , Opreni A. , Fresca S. , Manzoni A. , Frangi A

A nonintrusive model order reduction method for bilinear stochastic differential equations with additive noise is proposed. A reduced order model (ROM) is designed in order to approximate the statistical properties of high-dimensional…

Numerical Analysis · Mathematics 2025-06-11 M. A. Freitag , J. M. Nicolaus , M. Redmann