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Offline optimization is a fundamental challenge in science and engineering, where the goal is to optimize black-box functions using only offline datasets. This setting is particularly relevant when querying the objective function is…

Machine Learning · Computer Science 2026-01-07 Minsu Kim , Jiayao Gu , Ye Yuan , Taeyoung Yun , Zixuan Liu , Yoshua Bengio , Can Chen

Partial differential equation (PDE)-constrained optimization arises in many scientific and engineering domains, such as energy systems, fluid dynamics and material design. In these problems, the decision variables (e.g., control inputs or…

Machine Learning · Computer Science 2026-01-21 Yusuf Guven , Vincenzo Di Vito , Ferdinando Fioretto

The optimization problems in realistic world present significant challenges onto optimization algorithms, such as the expensive evaluation issue and complex constraint conditions. COBRA optimizer (including its up-to-date variants) is a…

Neural and Evolutionary Computing · Computer Science 2026-02-03 Zipei Yu , Zhiyang Huang , Hongshu Guo , Yue-Jiao Gong , Zeyuan Ma

Particle accelerators are enabling tools for scientific exploration and discovery in various disciplines. Finding optimized operation points for these complex machines is a challenging task, however, due to the large number of parameters…

Accelerator Physics · Physics 2021-07-02 Renato Bellotti , Romana Boiger , Andreas Adelmann

Artificial neural networks have gone through a recent rise in popularity, achieving state-of-the-art results in various fields, including image classification, speech recognition, and automated control. Both the performance and…

Neural and Evolutionary Computing · Computer Science 2016-11-08 Sean C. Smithson , Guang Yang , Warren J. Gross , Brett H. Meyer

Performing simulations with a realistic biophysical auditory nerve fiber model can be very time consuming, due to the complex nature of the calculations involved. Here, a surrogate (approximate) model of such an auditory nerve fiber model…

Neurons and Cognition · Quantitative Biology 2022-11-15 Jacob de Nobel , Anna V. Kononova , Jeroen Briaire , Johan Frijns , Thomas Bäck

Purpose: Optimization challenges in science, engineering, and real-world applications often involve complex, high-dimensional, and multimodal search spaces. Traditional optimization methods frequently struggle with local optima entrapment,…

Neural and Evolutionary Computing · Computer Science 2025-11-04 Sreeja Singh , Tamal Ghosh

Generative molecular optimization aims to design molecules with properties surpassing those of existing compounds. However, such candidates are rare and expensive to evaluate, yielding sample efficiency essential. Additionally, surrogate…

This study presents an integrated modeling and optimization framework for a steam methane reforming (SMR) reactor, combining a mathematical model, artificial neural network (ANN)-based hybrid modeling, advanced multi-objective optimization…

Chemical Physics · Physics 2025-07-11 Seyed Reza Nabavi , Zonglin Guo , Zhiyuan Wang

We consider minimizing functions for which it is expensive to compute the (possibly stochastic) gradient. Such functions are prevalent in reinforcement learning, imitation learning and adversarial training. Our target optimization framework…

Machine Learning · Computer Science 2023-06-09 Jonathan Wilder Lavington , Sharan Vaswani , Reza Babanezhad , Mark Schmidt , Nicolas Le Roux

Soft-growing robots are innovative devices that feature plant-inspired growth to navigate environments. Thanks to their embodied intelligence of adapting to their surroundings and the latest innovation in actuation and manufacturing, it is…

Robotics · Computer Science 2025-01-24 Fabio Stroppa

In the context of developing new vehicle concepts, especially autonomous vehicles with novel seating arrangements and occupant activities, predicting occupant motion can be a tool for ensuring safety and comfort. In this study, a…

Robotics · Computer Science 2024-10-29 Niklas Fahse , Monika Harant , Marius Obentheuer , Joachim Linn , Jörg Fehr

The dominant paradigm for power system dynamic simulation is to build system-level simulations by combining physics-based models of individual components. The sheer size of the system along with the rapid integration of inverter-based…

Systems and Control · Electrical Eng. & Systems 2024-10-24 Matthew Bossart , Jose Daniel Lara , Ciaran Roberts , Rodrigo Henriquez-Auba , Duncan Callaway , Bri-Mathias Hodge

A major contributor to the quality of a deep learning model is the selection of the optimizer. We propose a new dual-joint search space in the realm of neural optimizer search (NOS), along with an integrity check, to automate the process of…

Neural and Evolutionary Computing · Computer Science 2024-04-11 Brandon Morgan , Dean Hougen

An emulator is a fast-to-evaluate statistical approximation of a detailed mathematical model (simulator). When used in lieu of simulators, emulators can expedite tasks that require many repeated evaluations, such as sensitivity analyses,…

Dynamic environments pose great challenges for expensive optimization problems, as the objective functions of these problems change over time and thus require remarkable computational resources to track the optimal solutions. Although…

Neural and Evolutionary Computing · Computer Science 2024-08-14 Huan Zhang , Jinliang Ding , Liang Feng , Kay Chen Tan , Ke Li

We propose an optimization algorithm to improve the design and performance of quantum communication networks. When physical architectures become too complex for analytical methods, numerical simulation becomes essential to study quantum…

Quantum Physics · Physics 2025-08-21 Luise Prielinger , Álvaro G. Iñesta , Gayane Vardoyan

Breakthroughs in aerodynamic optimization have made it possible to develop efficient modes of transport with lesser exploitation of valuable resources. This makes it crucial for technical professionals such as engineers and scientists to…

Fluid Dynamics · Physics 2023-11-09 Paras Singh , Harshit Gupta , Ojas Vinayak , Aryan Tyagi

Offline optimization is an emerging problem in many experimental engineering domains including protein, drug or aircraft design, where online experimentation to collect evaluation data is too expensive or dangerous. To avoid that, one has…

Machine Learning · Computer Science 2024-05-10 Yassine Chemingui , Aryan Deshwal , Trong Nghia Hoang , Janardhan Rao Doppa

Large language models based Multi Agent Systems (MAS) have demonstrated promising performance for enhancing the efficiency and accuracy of code generation tasks. However,most existing methods follow a conventional sequence of planning,…

Software Engineering · Computer Science 2025-02-03 Yanlong Li , Jindong Li , Qi Wang , Menglin Yang , He Kong , Shengsheng Wang