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Finding optimal parameter configurations for tunable GPU kernels is a non-trivial exercise for large search spaces, even when automated. This poses an optimization task on a non-convex search space, using an expensive to evaluate function…

Machine Learning · Computer Science 2021-12-01 Floris-Jan Willemsen , Rob van Nieuwpoort , Ben van Werkhoven

Machine learning methods usually depend on internal parameters -- so called hyperparameters -- that need to be optimized for best performance. Such optimization poses a burden on machine learning practitioners, requiring expert knowledge,…

Chemical Physics · Physics 2020-04-03 Annika Stuke , Patrick Rinke , Milica Todorović

Modern Bayesian optimization and adaptive sampling methods increasingly rely on nonlinear parametric models, yet theoretical guarantees for such models under adaptive data collection remain limited. Existing analyses largely focus on…

Machine Learning · Statistics 2026-05-14 Rafael Oliveira

Despite recent advances in automated machine learning, model selection is still a complex and computationally intensive process. For Gaussian processes (GPs), selecting the kernel is a crucial task, often done manually by the expert.…

Machine Learning · Computer Science 2022-10-24 Matthias Bitzer , Mona Meister , Christoph Zimmer

Many real-world optimization problems require significant resources for objective function evaluations. This is a challenge to evolutionary algorithms, as it limits the number of available evaluations. One solution are surrogate models,…

Neural and Evolutionary Computing · Computer Science 2018-07-04 Martin Zaefferer , Daniel Horn

Structural kernels are a flexible learning paradigm that has been widely used in Natural Language Processing. However, the problem of model selection in kernel-based methods is usually overlooked. Previous approaches mostly rely on setting…

Computation and Language · Computer Science 2015-08-11 Daniel Beck , Trevor Cohn , Christian Hardmeier , Lucia Specia

Learning Bayesian networks is often cast as an optimization problem, where the computational task is to find a structure that maximizes a statistically motivated score. By and large, existing learning tools address this optimization problem…

Machine Learning · Computer Science 2013-01-30 Nir Friedman , Iftach Nachman , Dana Pe'er

Within the framework of complex system design, it is often necessary to solve mixed variable optimization problems, in which the objective and constraint functions can depend simultaneously on continuous and discrete variables.…

Optimization and Control · Mathematics 2020-03-10 Julien Pelamatti , Loic Brevault , Mathieu Balesdent , El-Ghazali Talbi , Yannick Guerin

Bayesian optimization is a data-efficient technique which can be used for control parameter tuning, parametric policy adaptation, and structure design in robotics. Many of these problems require optimization of functions defined on…

Existing high-dimensional Bayesian optimization (BO) methods aim to overcome the curse of dimensionality by carefully encoding structural assumptions, from locality to sparsity to smoothness, into the optimization procedure. Surprisingly,…

Machine Learning · Computer Science 2026-04-10 Colin Doumont , Donney Fan , Natalie Maus , Jacob R. Gardner , Henry Moss , Geoff Pleiss

Kernel-based nonparametric models have become very attractive for model-based control approaches for nonlinear systems. However, the selection of the kernel and its hyperparameters strongly influences the quality of the learned model.…

Systems and Control · Electrical Eng. & Systems 2019-09-13 Thomas Beckers , Somil Bansal , Claire J. Tomlin , Sandra Hirche

Bayesian optimization is a popular formalism for global optimization, but its computational costs limit it to expensive-to-evaluate functions. A competing, computationally more efficient, global optimization framework is optimistic…

Machine Learning · Computer Science 2022-09-05 Julia Grosse , Cheng Zhang , Philipp Hennig

Current neural architecture search (NAS) strategies focus only on finding a single, good, architecture. They offer little insight into why a specific network is performing well, or how we should modify the architecture if we want further…

Machine Learning · Computer Science 2021-02-22 Binxin Ru , Xingchen Wan , Xiaowen Dong , Michael Osborne

Network structure optimization is a fundamental task in complex network analysis. However, almost all the research on Bayesian optimization is aimed at optimizing the objective functions with vectorial inputs. In this work, we first present…

Machine Learning · Statistics 2018-11-07 Jiaxu Cui , Bo Yang

Deep learning models are yielding increasingly better performances thanks to multiple factors. To be successful, model may have large number of parameters or complex architectures and be trained on large dataset. This leads to large…

Machine Learning · Computer Science 2022-12-20 Jean-Roch Vlimant , Junqi Yin

We introduce a novel kernel-based framework for learning differential equations and their solution maps that is efficient in data requirements, in terms of solution examples and amount of measurements from each example, and computational…

Machine Learning · Statistics 2025-04-07 Yasamin Jalalian , Juan Felipe Osorio Ramirez , Alexander Hsu , Bamdad Hosseini , Houman Owhadi

Bayesian Optimization (BO) has the potential to solve various combinatorial tasks, ranging from materials science to neural architecture search. However, BO requires specialized kernels to effectively model combinatorial domains. Recent…

Machine Learning · Computer Science 2025-10-31 Colin Doumont , Victor Picheny , Viacheslav Borovitskiy , Henry Moss

Introduction. Reservoir computing is a growing paradigm for simplified training of recurrent neural networks, with a high potential for hardware implementations. Numerous experiments in optics and electronics yield comparable performance to…

Neural and Evolutionary Computing · Computer Science 2020-04-07 Piotr Antonik , Nicolas Marsal , Daniel Brunner , Damien Rontani

In spatial statistics and machine learning, the kernel matrix plays a pivotal role in prediction, classification, and maximum likelihood estimation. A thorough examination reveals that for large sample sizes, the kernel matrix becomes…

Machine Learning · Statistics 2023-11-07 Hao Zhang

Using tools from topology and functional analysis, we provide a framework where artificial neural networks, and their architectures, can be formally described. We define the notion of machine in a general topological context and show how…

Machine Learning · Computer Science 2022-11-30 Pietro Vertechi , Mattia G. Bergomi
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