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Recently, there has been rising interest in Bayesian optimization -- the optimization of an unknown function with assumptions usually expressed by a Gaussian Process (GP) prior. We study an optimization strategy that directly uses an…

Machine Learning · Statistics 2018-08-14 Zi Wang , Bolei Zhou , Stefanie Jegelka

Searching for accurate Machine and Deep Learning models is a computationally expensive and awfully energivorous process. A strategy which has been gaining recently importance to drastically reduce computational time and energy consumed is…

Machine Learning · Computer Science 2020-06-26 Antonio Candelieri , Riccardo Perego , Francesco Archetti

TensorX is a Python library for prototyping, design, and deployment of complex neural network models in TensorFlow. A special emphasis is put on ease of use, performance, and API consistency. It aims to make available high-level components…

Machine Learning · Computer Science 2021-01-05 Davide Nunes , Luis Antunes

It is commonly believed that Bayesian optimization (BO) algorithms are highly efficient for optimizing numerically costly functions. However, BO is not often compared to widely different alternatives, and is mostly tested on narrow sets of…

Optimization and Control · Mathematics 2021-10-01 Rodolphe Le Riche , Victor Picheny

We present a novel procedure for optimization based on the combination of efficient quantized tensor train representation and a generalized maximum matrix volume principle. We demonstrate the applicability of the new Tensor Train Optimizer…

Machine Learning · Computer Science 2022-09-29 Konstantin Sozykin , Andrei Chertkov , Roman Schutski , Anh-Huy Phan , Andrzej Cichocki , Ivan Oseledets

The NeuroEvolution of Augmenting Topologies (NEAT) algorithm has received considerable recognition in the field of neuroevolution. Its effectiveness is derived from initiating with simple networks and incrementally evolving both their…

Neural and Evolutionary Computing · Computer Science 2025-04-14 Lishuang Wang , Mengfei Zhao , Enyu Liu , Kebin Sun , Ran Cheng

TensorFlow is a popular emerging open-source programming framework supporting the execution of distributed applications on heterogeneous hardware. While TensorFlow has been initially designed for developing Machine Learning (ML)…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-03-03 Steven W. D. Chien , Stefano Markidis , Vyacheslav Olshevsky , Yaroslav Bulatov , Erwin Laure , Jeffrey S. Vetter

The increasing availability of graph-structured data motivates the task of optimising over functions defined on the node set of graphs. Traditional graph search algorithms can be applied in this case, but they may be sample-inefficient and…

Machine Learning · Computer Science 2023-10-31 Xingchen Wan , Pierre Osselin , Henry Kenlay , Binxin Ru , Michael A. Osborne , Xiaowen Dong

Software packages like TensorFlow and PyTorch are designed to support linear algebra operations, and their speed and usability determine their success. However, by prioritising speed, they often neglect memory requirements. As a…

Machine Learning · Computer Science 2022-06-29 Artem Artemev , Tilman Roeder , Mark van der Wilk

Pipeline is a fundamental parallel programming pattern. Mainstream pipeline programming frameworks count on data abstractions to perform pipeline scheduling. This design is convenient for data-centric pipeline applications but inefficient…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-02-03 Cheng-Hsiang Chiu , Tsung-Wei Huang , Zizheng Guo , Yibo Lin

Gaussian processes (GPs) are widely used in nonparametric regression, classification and spatio-temporal modeling, motivated in part by a rich literature on theoretical properties. However, a well known drawback of GPs that limits their use…

Methodology · Statistics 2011-06-29 Anjishnu Banerjee , David Dunson , Surya Tokdar

High-dimensional optimization is a critical challenge for operating large-scale scientific facilities. We apply a physics-informed Gaussian process (GP) optimizer to tune a complex system by conducting efficient global search. Typical GP…

Computational Physics · Physics 2021-07-14 Adi Hanuka , X. Huang , J. Shtalenkova , D. Kennedy , A. Edelen , V. R. Lalchand , D. Ratner , J. Duris

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…

Machine Learning · Computer Science 2024-07-18 Hwanwoo Kim , Daniel Sanz-Alonso

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

QMetro++ is a Python package that provides a set of tools for identifying optimal estimation protocols that maximize quantum Fisher information (QFI). Optimization can be performed for arbitrary configurations of input states,…

Quantum Physics · Physics 2026-02-04 Piotr Dulian , Stanisław Kurdziałek , Rafał Demkowicz-Dobrzański

In many real-world applications, we are interested in approximating black-box, costly functions as accurately as possible with the smallest number of function evaluations. A complex computer code is an example of such a function. In this…

Computation · Statistics 2022-03-22 Hossein Mohammadi , Peter Challenor , Daniel Williamson , Marc Goodfellow

Modern Bayesian inference involves a mixture of computational methods for estimating, validating, and drawing conclusions from probabilistic models as part of principled workflows. An overarching motif of many Bayesian methods is that they…

This document serves to complement our website which was developed with the aim of exposing the students to Gaussian Processes (GPs). GPs are non-parametric Bayesian regression models that are largely used by statisticians and geospatial…

Machine Learning · Computer Science 2018-09-07 Kshitij Tiwari

Parameter estimation is crucial for modeling, tracking, and control of complex dynamical systems. However, parameter uncertainties can compromise system performance under a controller relying on nominal parameter values. Typically,…

Robotics · Computer Science 2020-02-20 Mouhyemen Khan , Abhijit Chatterjee

In many areas of the observational and experimental sciences data is scarce. Data observation in high-energy astrophysics is disrupted by celestial occlusions and limited telescope time while data derived from laboratory experiments in…

Machine Learning · Statistics 2023-03-28 Ryan-Rhys Griffiths