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It is promising to solve linear inverse problems by unfolding iterative algorithms (e.g., iterative shrinkage thresholding algorithm (ISTA)) as deep neural networks (DNNs) with learnable parameters. However, existing ISTA-based unfolded…

Computer Vision and Pattern Recognition · Computer Science 2022-05-06 Ziyang Zheng , Wenrui Dai , Duoduo Xue , Chenglin Li , Junni Zou , Hongkai Xiong

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

Since deep neural networks were developed, they have made huge contributions to everyday lives. Machine learning provides more rational advice than humans are capable of in almost every aspect of daily life. However, despite this…

Machine Learning · Computer Science 2020-03-13 Tong Yu , Hong Zhu

Training deep neural networks consumes increasing computational resource shares in many compute centers. Often, a brute force approach to obtain hyperparameter values is employed. Our goal is (1) to enhance this by enabling second-order…

Machine Learning · Computer Science 2022-08-04 Severin Reiz , Tobias Neckel , Hans-Joachim Bungartz

Stochastic, iterative search methods such as Evolutionary Algorithms (EAs) are proven to be efficient optimizers. However, they require evaluation of the candidate solutions which may be prohibitively expensive in many real world…

Neural and Evolutionary Computing · Computer Science 2013-03-12 Maumita Bhattacharya

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

In recent years, neural networks have revolutionized various domains, yet challenges such as hyperparameter tuning and overfitting remain significant hurdles. Bayesian neural networks offer a framework to address these challenges by…

Machine Learning · Computer Science 2025-12-16 Hayk Amirkhanian , Marco F. Huber

Spiking Neural Networks (SNNs) offer inherent advantages for low-power inference through sparse, event-driven computation. However, the theoretical energy benefits of SNNs are often decoupled from real hardware performance due to the opaque…

Hardware Architecture · Computer Science 2026-03-27 Ilkin Aliyev , Jesus Lopez , Tosiron Adegbija

Surrogate models are often used as computationally efficient approximations to complex simulation models, enabling tasks such as solving inverse problems, sensitivity analysis, and probabilistic forward predictions, which would otherwise be…

Machine Learning · Statistics 2026-05-13 Philipp Reiser , Paul-Christian Bürkner , Anneli Guthke

State-of-the-art Deep Neural Networks (DNNs) often incorporate multi-branch connections, enabling multi-scale feature extraction and enhancing the capture of diverse features. This design improves network capacity and generalisation to…

Neural and Evolutionary Computing · Computer Science 2025-06-26 Fergal Stapleton , Daniel García Núñez , Yanan Sun , Edgar Galván

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

Stochastic nonlinear dynamical systems are ubiquitous in modern, real-world applications. Yet, estimating the unknown parameters of stochastic, nonlinear dynamical models remains a challenging problem. The majority of existing methods…

Machine Learning · Statistics 2022-05-06 Anubhab Ghosh , Mohamed Abdalmoaty , Saikat Chatterjee , Håkan Hjalmarsson

In a previous work we introduced, in the context of gravitational wave science, an initial study on an automated domain-decomposition approach for reduced basis through hp-greedy refinement. The approach constructs local reduced bases of…

General Relativity and Quantum Cosmology · Physics 2023-10-24 Franco Cerino , Andrés Diaz-Pace , Emmanuel Tassone , Manuel Tiglio , Atuel Villegas

Bayesian optimization (BO) is a popular paradigm for global optimization of expensive black-box functions, but there are many domains where the function is not completely a black-box. The data may have some known structure (e.g. symmetries)…

Machine Learning · Computer Science 2022-12-08 Samuel Kim , Peter Y. Lu , Charlotte Loh , Jamie Smith , Jasper Snoek , Marin Soljačić

In this paper, we employ multiple UAVs coordinated by a base station (BS) to help the ground users (GUs) to offload their sensing data. Different UAVs can adapt their trajectories and network formation to expedite data transmissions via…

Systems and Control · Electrical Eng. & Systems 2022-12-29 Shimin Gong , Meng Wang , Bo Gu , Wenjie Zhang , Dinh Thai Hoang , Dusit Niyato

In robotics, deep learning (DL) methods are used more and more widely, but their general inability to provide reliable confidence estimates will ultimately lead to fragile and unreliable systems. This impedes the potential deployments of DL…

Robotics · Computer Science 2020-11-02 Matthias Humt , Jongseok Lee , Rudolph Triebel

This paper presents a novel methodology that uses surrogate models in the form of neural networks to reduce the computation time of simulation-based optimization of a reference trajectory. Simulation-based optimization is necessary when…

Optimization and Control · Mathematics 2023-03-31 Evelyn Ruff , Rebecca Russell , Matthew Stoeckle , Piero Miotto , Jonathan P. How

The ability to engineer optimized protein variants has transformative potential for biotechnology and medicine. Prior sequence-based optimization methods struggle with the high-dimensional complexities due to the epistasis effect and the…

Artificial Intelligence · Computer Science 2026-01-19 Jiahao Wang , Shuangjia Zheng

With neural networks having demonstrated their versatility and benefits, the need for their optimal performance is as prevalent as ever. A defining characteristic, hyperparameters, can greatly affect its performance. Thus engineers go…

Neural and Evolutionary Computing · Computer Science 2020-09-21 Keshav Ganapathy

A surrogate model based hyperparameter tuning approach for deep learning is presented. This article demonstrates how the architecture-level parameters (hyperparameters) of deep learning models that were implemented in Keras/tensorflow can…

Machine Learning · Computer Science 2021-07-07 Thomas Bartz-Beielstein , Frederik Rehbach , Amrita Sen , Martin Zaefferer