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Bayesian optimisation has proven to be a powerful tool for expensive global black-box optimisation problems. In this paper, we propose new Bayesian optimisation variants of the popular Knowledge Gradient acquisition functions for problems…

Machine Learning · Computer Science 2025-12-22 Xietao Wang Lin , Juan Ungredda , Max Butler , James Town , Alma Rahat , Hemant Singh , Juergen Branke

This paper presents an approach for learning vision-based planners that provably generalize to novel environments (i.e., environments unseen during training). We leverage the Probably Approximately Correct (PAC)-Bayes framework to obtain an…

Robotics · Computer Science 2020-11-11 Sushant Veer , Anirudha Majumdar

Variational approximation techniques and inference for stochastic models in machine learning has gained much attention the last years. Especially in the case of Gaussian Processes (GP) and their deep versions, Deep Gaussian Processes…

Statistics Theory · Mathematics 2019-09-24 Roman Föll , Ingo Steinwart

We present a distributionally robust PAC-Bayesian framework for certifying the performance of learning-based finite-horizon controllers. While existing PAC-Bayes control literature typically assumes bounded losses and matching training and…

Machine Learning · Computer Science 2026-04-14 Domagoj Herceg , Duarte Antunes

Machine learning algorithms frequently require careful tuning of model hyperparameters, regularization terms, and optimization parameters. Unfortunately, this tuning is often a "black art" that requires expert experience, unwritten rules of…

Machine Learning · Statistics 2012-08-30 Jasper Snoek , Hugo Larochelle , Ryan P. Adams

Stochastic Gradient Descent (SGD) has played a central role in machine learning. However, it requires a carefully hand-picked stepsize for fast convergence, which is notoriously tedious and time-consuming to tune. Over the last several…

Machine Learning · Computer Science 2019-06-10 Zhenxun Zhuang , Ashok Cutkosky , Francesco Orabona

Bayesian optimisation has gained great popularity as a tool for optimising the parameters of machine learning algorithms and models. Somewhat ironically, setting up the hyper-parameters of Bayesian optimisation methods is notoriously hard.…

Machine Learning · Statistics 2014-07-01 Ziyu Wang , Nando de Freitas

A number of results have recently demonstrated the benefits of incorporating various constraints when training deep architectures in vision and machine learning. The advantages range from guarantees for statistical generalization to better…

Machine Learning · Computer Science 2019-05-27 Sathya N. Ravi , Tuan Dinh , Vishnu Lokhande , Vikas Singh

Building local surrogates to accelerate stationary point searches on potential energy surfaces spans decades of effort. Done correctly, surrogates can reduce the number of expensive electronic structure evaluations by roughly an order of…

Machine Learning · Statistics 2026-04-30 Rohit Goswami

Bayesian optimization (BO) is widely adopted in black-box optimization problems and it relies on a surrogate model to approximate the black-box response function. With the increasing number of black-box optimization tasks solved and even…

Machine Learning · Computer Science 2023-08-10 Wenlong Lyu , Shoubo Hu , Jie Chuai , Zhitang Chen

Bayesian optimization is an effective methodology for the global optimization of functions with expensive evaluations. It relies on querying a distribution over functions defined by a relatively cheap surrogate model. An accurate model for…

Variational inference (VI) is widely used for approximate inference in Bayesian machine learning. In addition to this practical success, generalization bounds for variational inference and related algorithms have been developed, mostly…

Machine Learning · Computer Science 2025-02-19 Yadi Wei , Roni Khardon

The probabilistic surrogates used by Bayesian optimizers make them popular methods when function evaluations are noisy or expensive to evaluate. While Bayesian optimizers are traditionally used for global optimization, their benefits are…

Optimization and Control · Mathematics 2026-05-14 André L. Marchildon , David W. Zingg

In training neural networks, it is common practice to use partial gradients computed over batches, mostly very small subsets of the training set. This approach is motivated by the argument that such a partial gradient is close to the true…

Machine Learning · Computer Science 2024-11-25 Jan Spörer , Bernhard Bermeitinger , Tomas Hrycej , Niklas Limacher , Siegfried Handschuh

We propose a general framework for machine learning based optimization under uncertainty. Our approach replaces the complex forward model by a surrogate, which is learned simultaneously in a one-shot sense when solving the optimal control…

Optimization and Control · Mathematics 2023-12-25 Philipp A. Guth , Claudia Schillings , Simon Weissmann

We propose an alternative to the standard GAN training approach, in which the discriminator is a binary classifier trained by cross-entropy to distinguish real samples from generated ones. Instead, we directly target the discrimination…

Machine Learning · Computer Science 2026-05-13 Mohammadreza Tavasoli Naeini , Ali Bereyhi , Morteza Noshad , Ben Liang , Alfred O. Hero

We are motivated by the problem of providing strong generalization guarantees in the context of meta-learning. Existing generalization bounds are either challenging to evaluate or provide vacuous guarantees in even relatively simple…

Machine Learning · Computer Science 2021-10-27 Alec Farid , Anirudha Majumdar

Bayesian optimization (BO) is an effective method of finding the global optima of black-box functions. Recently BO has been applied to neural architecture search and shows better performance than pure evolutionary strategies. All these…

Machine Learning · Computer Science 2019-05-16 Lizheng Ma , Jiaxu Cui , Bo Yang

Gaussian Processes (GPs) are widely seen as the state-of-the-art surrogate models for Bayesian optimization (BO) due to their ability to model uncertainty and their performance on tasks where correlations are easily captured (such as those…

Machine Learning · Computer Science 2024-12-13 Paul Brunzema , Mikkel Jordahn , John Willes , Sebastian Trimpe , Jasper Snoek , James Harrison

Step sizes in neural network training are largely determined using predetermined rules such as fixed learning rates and learning rate schedules. These require user input or expensive global optimization strategies to determine their…

Machine Learning · Statistics 2020-04-07 Dominic Kafka , Daniel Wilke
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