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We propose a novel method for gradient-based optimization of black-box simulators using differentiable local surrogate models. In fields such as physics and engineering, many processes are modeled with non-differentiable simulators with…

Machine Learning · Computer Science 2020-09-30 Sergey Shirobokov , Vladislav Belavin , Michael Kagan , Andrey Ustyuzhanin , Atılım Güneş Baydin

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

Inverse modeling for computing a high-dimensional spatially-varying property field from indirect sparse and noisy observations is a challenging problem. This is due to the complex physical system of interest often expressed in the form of…

Computational Physics · Physics 2021-02-22 Govinda Anantha Padmanabha , Nicholas Zabaras

Continuum robots enable dexterous manipulation in constrained environments, but require accurate and efficient models for real-time manipulation and control. Traditional physics-based models can be computationally expensive and may suffer…

Robotics · Computer Science 2026-05-20 Branden Frieden , James M. Ferguson , Alan Kuntz , Varun Shankar

Nonlinear programming targets nonlinear optimization with constraints, which is a generic yet complex methodology involving humans for problem modeling and algorithms for problem solving. We address the particularly hard challenge of…

Robotics · Computer Science 2021-01-29 David Hägele , Moataz Abdelaal , Ozgur S. Oguz , Marc Toussaint , Daniel Weiskopf

In this paper, direction-of-arrival estimation using nested array is studied in the framework of sparse signal representation. With the vectorization operator, a new real-valued nonnegative sparse signal recovery model which has a wider…

Signal Processing · Electrical Eng. & Systems 2019-04-12 Yunmei Shi , Xing-Peng Mao , Chunlei Zhao , Yong-Tan Liu

We develop a non-parametric, data-driven, tractable approach for solving multistage stochastic optimization problems in which decisions do not affect the uncertainty. The proposed framework represents the decision variables as elements of a…

Optimization and Control · Mathematics 2023-03-14 Dimitris Bertsimas , Kimberly Villalobos Carballo

The article presents a study of the Particle Swarm optimization method for scheduling problem. To improve the method's performance a restriction of particles' velocity and an evolutionary meta-optimization were realized. The approach…

Neural and Evolutionary Computing · Computer Science 2020-06-22 Pavel Matrenin , Viktor Sekaev

We propose an efficient surrogate modeling technique for uncertainty quantification. The method is based on a well-known dimension-adaptive collocation scheme. We improve the scheme by enhancing sparse polynomial surrogates with conformal…

Computational Engineering, Finance, and Science · Computer Science 2020-05-20 Niklas Georg , Dimitrios Loukrezis , Ulrich Römer , Sebastian Schöps

There is unprecedented development in machine learning, exemplified by recent large language models and world simulators, which are artificial neural networks running on digital computers. However, they still cannot parallel human brains in…

Emerging Technologies · Computer Science 2024-07-29 Bo Wang , Shaocong Wang , Ning Lin , Yi Li , Yifei Yu , Yue Zhang , Jichang Yang , Xiaoshan Wu , Yangu He , Songqi Wang , Rui Chen , Guoqi Li , Xiaojuan Qi , Zhongrui Wang , Dashan Shang

Realizing high-throughput aberration-corrected Scanning Transmission Electron Microscopy (STEM) exploration of atomic structures requires rapid tuning of multipole probe correctors while compensating for the inevitable drift of the optical…

Machine Learning · Computer Science 2026-01-28 Utkarsh Pratiush , Austin Houston , Richard Liu , Gerd Duscher , Sergei Kalinin

Automatically optimizing the hyperparameters of Machine Learning algorithms is one of the primary open questions in AI. Existing work in Hyperparameter Optimization (HPO) trains surrogate models for approximating the response surface of…

Machine Learning · Computer Science 2023-05-23 Abdus Salam Khazi , Sebastian Pineda Arango , Josif Grabocka

Modular design maximizes utility by using standardized components in large-scale systems. From a manufacturing perspective, it supports green technology by reducing material waste and improving reusability. Industrially, it offers economic…

Emerging Technologies · Computer Science 2025-03-18 Sumin Lee , Namwoo Kang

Stochastic programming can be applied to consider uncertainties in energy system optimization models for capacity expansion planning. However, these models become increasingly large and time-consuming to solve, even without considering…

Optimization and Control · Mathematics 2025-08-15 Shima Sasanpour , Manuel Wetzel , Karl-Kiên Cao , Hans Christian Gils , Andrés Ramos

Recently surrogate functions based on the tail inequalities were developed to evaluate the chance constraints in the context of evolutionary computation and several Pareto optimization algorithms using these surrogates were successfully…

Artificial Intelligence · Computer Science 2024-04-19 Xiankun Yan , Aneta Neumann , Frank Neumann

Shuffling strategies for stochastic gradient descent (SGD), including incremental gradient, shuffle-once, and random reshuffling, are supported by rigorous convergence analyses for arbitrary within-epoch permutations. In particular, random…

Machine Learning · Computer Science 2026-04-02 Lam M. Nguyen , Dzung T. Phan , Jayant Kalagnanam

Parameter estimation in structural dynamics generally involves inferring the values of physical, geometric, or even customized parameters based on first principles or expert knowledge, which is challenging for complex structural systems. In…

Computational Engineering, Finance, and Science · Computer Science 2025-04-08 Mingyuan Zhou , Haoze Song , Wenjing Ye , Wei Wang , Zhilu Lai

Physics simulators are essential in science and engineering, enabling the analysis, control, and design of complex systems. In experimental sciences, they are increasingly used to automate experimental design, often via combinatorial search…

The goal of nuSTORM is to provide well-defined neutrino beams for precise measurements of neutrino cross-sections and oscillations. The nuSTORM decay ring is a compact racetrack storage ring with a circumference of ~480 m that incorporates…

Accelerator Physics · Physics 2017-08-02 Ao Liu , Alan Bross , David Neuffer

We propose an algorithm for non-stationary kernel bandits that does not require prior knowledge of the degree of non-stationarity. The algorithm follows randomized strategies obtained by solving optimization problems that balance…

Machine Learning · Statistics 2023-02-21 Kihyuk Hong , Yuhang Li , Ambuj Tewari