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Gaussian processes (GPs) are non-parametric probabilistic regression models that are popular due to their flexibility, data efficiency, and well-calibrated uncertainty estimates. However, standard GP models assume homoskedastic Gaussian…

机器学习 · 计算机科学 2025-01-08 Sebastian Ament , Elizabeth Santorella , David Eriksson , Ben Letham , Maximilian Balandat , Eytan Bakshy

Bayesian inference and Gaussian processes are widely used in applications ranging from robotics and control to biological systems. Many of these applications are safety-critical and require a characterization of the uncertainty associated…

机器学习 · 计算机科学 2018-10-26 Luca Cardelli , Marta Kwiatkowska , Luca Laurenti , Andrea Patane

Adversarial example (AE) is an attack method for machine learning, which is crafted by adding imperceptible perturbation to the data inducing misclassification. In the current paper, we investigated the upper bound of the probability of…

机器学习 · 计算机科学 2025-03-20 Hiroaki Maeshima , Akira Otsuka

Gaussian process (GP) regression provides a strategy for accelerating saddle point searches on high-dimensional energy surfaces by reducing the number of times the energy and its derivatives with respect to atomic coordinates need to be…

化学物理 · 物理学 2025-12-03 Rohit Goswami , Hannes Jónsson

Gaussian process (GP) based Bayesian optimization (BO) is a powerful method for optimizing black-box functions efficiently. The practical performance and theoretical guarantees of this approach depend on having the correct GP hyperparameter…

机器学习 · 统计学 2024-06-07 Huong Ha , Vu Nguyen , Hung Tran-The , Hongyu Zhang , Xiuzhen Zhang , Anton van den Hengel

The graduated optimization approach, also known as the continuation method, is a popular heuristic to solving non-convex problems that has received renewed interest over the last decade. Despite its popularity, very little is known in terms…

机器学习 · 计算机科学 2015-07-28 Elad Hazan , Kfir Y. Levy , Shai Shalev-Shwartz

This paper presents an approach for constrained Gaussian Process (GP) regression where we assume that a set of linear transformations of the process are bounded. It is motivated by machine learning applications for high-consequence…

机器学习 · 统计学 2019-09-12 Christian Agrell

Gaussian Process (GP) models have also become extremely useful for optimization under uncertainty algorithms, especially where the objective functions are costly to compute. Yet, the more classical methods usually adopt strategies that, in…

最优化与控制 · 数学 2025-07-22 Nishant Gadde

Adaptive learning is necessary for non-stationary environments where the learning machine needs to forget past data distribution. Efficient algorithms require a compact model update to not grow in computational burden with the incoming data…

机器学习 · 计算机科学 2023-07-11 Vanessa Gómez-Verdejo , Emilio Parrado-Hernández , Manel Martínez-Ramón

This paper proposes novel noise-free Bayesian optimization strategies that rely on a random exploration step to enhance the accuracy of Gaussian process surrogate models. The new algorithms retain the ease of implementation of the classical…

机器学习 · 计算机科学 2024-07-18 Hwanwoo Kim , Daniel Sanz-Alonso

Gaussian processes (GP) provide a prior over functions and allow finding complex regularities in data. Gaussian processes are successfully used for classification/regression problems and dimensionality reduction. In this work we consider…

机器学习 · 计算机科学 2016-11-21 Pavel Izmailov , Dmitry Kropotov

We present a multi-objective evolutionary optimization algorithm that uses Gaussian process (GP) regression-based models to select trial solutions in a multi-generation iterative procedure. In each generation, a surrogate model is…

神经与进化计算 · 计算机科学 2020-05-22 Xiaobiao Huang , Minghao Song , Zhe Zhang

For many expensive deterministic computer simulators, the outputs do not have replication error and the desired metamodel (or statistical emulator) is an interpolator of the observed data. Realizations of Gaussian spatial processes (GP) are…

统计方法学 · 统计学 2012-03-07 Pritam Ranjan , Ronald Haynes , Richard Karsten

We consider the problem of optimizing an unknown (typically non-convex) function with a bounded norm in some Reproducing Kernel Hilbert Space (RKHS), based on noisy bandit feedback. We consider a novel variant of this problem in which the…

机器学习 · 统计学 2020-03-05 Ilija Bogunovic , Andreas Krause , Jonathan Scarlett

Bayesian Optimization using Gaussian Processes is a popular approach to deal with the optimization of expensive black-box functions. However, because of the a priori on the stationarity of the covariance matrix of classic Gaussian…

机器学习 · 统计学 2019-05-10 Ali Hebbal , Loic Brevault , Mathieu Balesdent , El-Ghazali Talbi , Nouredine Melab

Optimization of expensive computer models with the help of Gaussian process emulators in now commonplace. However, when several (competing) objectives are considered, choosing an appropriate sampling strategy remains an open question. We…

最优化与控制 · 数学 2013-10-03 Victor Picheny

This paper addresses the Bayesian optimization problem (also referred to as the Bayesian setting of the Gaussian process bandit), where the learner seeks to minimize the regret under a function drawn from a known Gaussian process (GP).…

机器学习 · 计算机科学 2025-12-12 Shogo Iwazaki

Optimization problems with uncertain black-box constraints, modeled by warped Gaussian processes, have recently been considered in the Bayesian optimization setting. This work introduces a new class of constraints in which the same…

最优化与控制 · 数学 2020-06-16 Johannes Wiebe , Inês Cecílio , Jonathan Dunlop , Ruth Misener

Many relevant problems in the area of systems and control, such as controller synthesis, observer design and model reduction, can be viewed as optimization problems involving dynamical systems: for instance, maximizing performance in the…

最优化与控制 · 数学 2023-11-15 Pascal Den Boef , Jos Maubach , Wil Schilders , Nathan van de Wouw

In this paper, we consider the problem of stochastic optimization under a bandit feedback model. We generalize the GP-UCB algorithm [Srinivas and al., 2012] to arbitrary kernels and search spaces. To do so, we use a notion of localized…

机器学习 · 统计学 2015-10-20 Emile Contal , Cédric Malherbe , Nicolas Vayatis