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Optimization strategies driven by machine learning, such as Bayesian optimization, are being explored across experimental sciences as an efficient alternative to traditional design of experiment. When combined with automated laboratory…

Optimization and Control · Mathematics 2022-10-18 Riley J. Hickman , Matteo Aldeghi , Florian Häse , Alán Aspuru-Guzik

Reservoir Computing is a machine learning approach that uses the rich repertoire of complex system dynamics for function approximation. Current approaches to reservoir computing use a network of coupled integrating neurons that require a…

Neural and Evolutionary Computing · Computer Science 2025-07-30 Alexander Yeung , Peter DelMastro , Arjun Karuvally , Hava Siegelmann , Edward Rietman , Hananel Hazan

Integrated photonic reservoir computing has been demonstrated to be able to tackle different problems because of its neural network nature. A key advantage of photonic reservoir computing over other neuromorphic paradigms is its…

Bayesian optimization is a methodology to optimize black-box functions. Traditionally, it focuses on the setting where you can arbitrarily query the search space. However, many real-life problems do not offer this flexibility; in…

Bayesian method is capable of capturing real world uncertainties/incompleteness and properly addressing the over-fitting issue faced by deep neural networks. In recent years, Bayesian Neural Networks (BNNs) have drawn tremendous attentions…

Machine Learning · Computer Science 2020-05-11 Xiaotao Jia , Jianlei Yang , Runze Liu , Xueyan Wang , Sorin Dan Cotofana , Weisheng Zhao

Electron ptychography provides new opportunities to resolve atomic structures with deep sub-angstrom spatial resolution and studying electron-beam sensitive materials with high dose efficiency. In practice, obtaining accurate ptychography…

Materials Science · Physics 2022-04-26 Michael C. Cao , Zhen Chen , Yi Jiang , Yimo Han

For many years, Evolutionary Algorithms (EAs) have been applied to improve Neural Networks (NNs) architectures. They have been used for solving different problems, such as training the networks (adjusting the weights), designing network…

Neural and Evolutionary Computing · Computer Science 2022-11-14 Sebastián Basterrech , Tarun Kumar Sharma

Neuromorphic computing is at the basis of the recent progress in artificial intelligence. But the progress is accompanied with increasing demands in computational resources and power supply. Reservoir neuromorphic computing uses a…

Mesoscale and Nanoscale Physics · Physics 2025-12-01 Teng Long , Yibo Deng , Xuekai Ma , Chunling Gu , Guillaume Malpuech , Qing Liao , Hongbing Fu , Dmitry Solnyshkov

Process optimization of photovoltaic devices is a time-intensive, trial and error endeavor, without full transparency of the underlying physics, and with user-imposed constraints that may or may not lead to a global optimum. Herein, we…

Photonic delay systems have revolutionized the hardware implementation of Recurrent Neural Networks and Reservoir Computing in particular. The fundamental principles of Reservoir Computing strongly benefit a realization in such complex…

Emerging Technologies · Computer Science 2021-11-08 D. Brunner , B. Penkovsky , B. A. Marquez , M. Jaquot , I. Fischer , L. Larger

Reservoir computing is a form of machine learning that utilizes nonlinear dynamical systems to perform complex tasks in a cost-effective manner when compared to typical neural networks. Many recent advancements in reservoir computing, in…

Machine Learning · Computer Science 2025-04-03 Peter J. Ehlers , Hendra I. Nurdin , Daniel Soh

A local optimization method based on Bayesian Gaussian Processes is developed and applied to atomic structures. The method is applied to a variety of systems including molecules, clusters, bulk materials, and molecules at surfaces. The…

Computational Physics · Physics 2019-09-11 Estefanía Garijo del Río , Jens Jørgen Mortensen , Karsten W. Jacobsen

Optical computing offers ultrafast, energy-efficient alternatives to conventional digital processors, yet most implementations remain confined to single-channel processing, severely underutilizing light's information capacity. Here we…

Optics · Physics 2026-01-13 Fatma Nur Kılınç , Uğur Teğin

Physical simulation-based optimization is a common task in science and engineering. Many such simulations produce image- or tensor-based outputs where the desired objective is a function of those outputs, and optimization is performed over…

Machine Learning · Computer Science 2021-12-01 Wesley Maddox , Qing Feng , Max Balandat

In robotics, methods and softwares usually require optimizations of hyperparameters in order to be efficient for specific tasks, for instance industrial bin-picking from homogeneous heaps of different objects. We present a developmental…

Robotics · Computer Science 2020-07-31 Maxime Petit , Emmanuel Dellandrea , Liming Chen

Bayesian optimization is a methodology for global optimization of unknown and expensive objectives. It combines a surrogate Bayesian regression model with an acquisition function to decide where to evaluate the objective. Typical regression…

Machine Learning · Computer Science 2023-04-04 Afonso Eduardo , Michael U. Gutmann

Bayesian optimization offers a flexible framework to optimize an objective function that is expensive to be evaluated. A Bayesian optimizer iteratively queries the function values on its carefully selected points. Subsequently, it makes a…

Machine Learning · Computer Science 2019-06-25 Yang Li , Yaqiang Yao

Clean images are an important requirement for machine vision systems to recognize visual features correctly. However, the environment, optics, electronics of the physical imaging systems can introduce extreme distortions and noise in the…

Computer Vision and Pattern Recognition · Computer Science 2018-09-11 Samiran Ganguly , Yunfei Gu , Yunkun Xie , Mircea R. Stan , Avik W. Ghosh , Nibir K. Dhar

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

We study a budgeted hyper-parameter tuning problem, where we optimize the tuning result under a hard resource constraint. We propose to solve it as a sequential decision making problem, such that we can use the partial training progress of…

Machine Learning · Computer Science 2019-02-05 Zhiyun Lu , Chao-Kai Chiang , Fei Sha