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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

Carefully designed activation functions can improve the performance of neural networks in many machine learning tasks. However, it is difficult for humans to construct optimal activation functions, and current activation function search…

Machine Learning · Computer Science 2023-11-10 Garrett Bingham , Risto Miikkulainen

In physics and engineering, many processes are modeled using non-differentiable black-box simulators, making the optimization of such functions particularly challenging. To address such cases, inspired by the Gradient Theorem, we propose…

There is renewed interest in developing small modular reactors and micro-reactors. Innovation is necessary in both construction and operation methods of these reactors to be financially attractive. For operation, an area of interest is the…

Computational Physics · Physics 2020-07-14 Akshay J. Dave , Jarod Wilson , Kaichao Sun

The term `surrogate modeling' in computational science and engineering refers to the development of computationally efficient approximations for expensive simulations, such as those arising from numerical solution of partial differential…

Numerical Analysis · Mathematics 2022-08-12 Maarten V. de Hoop , Daniel Zhengyu Huang , Elizabeth Qian , Andrew M. Stuart

While complex simulations of physical systems have been widely used in engineering and scientific computing, lowering their often prohibitive computational requirements has only recently been tackled by deep learning approaches. In this…

Numerical Analysis · Mathematics 2023-10-26 Chuanbo Hua , Federico Berto , Michael Poli , Stefano Massaroli , Jinkyoo Park

Neural networks can be used as surrogates for PDE models. They can be made physics-aware by penalizing underlying equations or the conservation of physical properties in the loss function during training. Current approaches allow to…

Machine Learning · Computer Science 2022-07-01 Raphael Leiteritz , Patrick Buchfink , Bernard Haasdonk , Dirk Pflüger

Surrogate models provide efficient alternatives to computationally demanding real world processes but often require large datasets for effective training. A promising solution to this limitation is the transfer of pre-trained surrogate…

Machine Learning · Computer Science 2025-05-14 Shuaiqun Pan , Diederick Vermetten , Manuel López-Ibáñez , Thomas Bäck , Hao Wang

In many mechanistic medical, biological, physical and engineered spatiotemporal dynamic models the numerical solution of partial differential equations (PDEs) can make simulations impractically slow. Biological models require the…

Soft Condensed Matter · Physics 2021-02-11 J. Quetzalcóatl Toledo-Marín , Geoffrey Fox , James P. Sluka , James A. Glazier

High-fidelity simulation models are widely used to analyze complex stochastic systems, but their high computational cost motivates the development of cheaper surrogate models that approximate the simulation model's input-output…

Machine Learning · Statistics 2026-05-28 Mohammadmahdi Ghasemloo , David J. Eckman , Yaxian Li

We propose a method to use artificial neural networks to approximate light scattering by multilayer nanoparticles. We find the network needs to be trained on only a small sampling of the data in order to approximate the simulation to high…

Mechanistic, multicellular, agent-based models are commonly used to investigate tissue, organ, and organism-scale biology at single-cell resolution. The Cellular-Potts Model (CPM) is a powerful and popular framework for developing and…

Quantitative Methods · Quantitative Biology 2025-10-24 Tien Comlekoglu , J. Quetzalcoatl Toledo-Marín , Douglas W. DeSimone , Shayn M. Peirce , Geoffrey Fox , James A. Glazier

End-to-end learning has become a popular method for joint transmitter and receiver optimization in optical communication systems. Such approach may require a differentiable channel model, thus hindering the optimization of links based on…

Signal Processing · Electrical Eng. & Systems 2024-05-21 Sergio Hernandez , Ognjen Jovanovic , Christophe Peucheret , Francesco Da Ros , Darko Zibar

The integration of Reinforcement Learning (RL) and Evolutionary Algorithms (EAs) aims at simultaneously exploiting the sample efficiency as well as the diversity and robustness of the two paradigms. Recently, hybrid learning frameworks…

Neural and Evolutionary Computing · Computer Science 2022-11-08 Yuxing Wang , Tiantian Zhang , Yongzhe Chang , Bin Liang , Xueqian Wang , Bo Yuan

Agent-based simulators provide granular representations of complex intelligent systems by directly modelling the interactions of the system's constituent agents. Their high-fidelity nature enables hyper-local policy evaluation and testing…

We consider a class of stochastic programming problems where the implicitly decision-dependent random variable follows a nonparametric regression model with heteroscedastic error. The Clarke subdifferential and surrogate functions are not…

Optimization and Control · Mathematics 2025-05-13 Boyang Shen , Junyi Liu

Decision support systems often rely on solving complex optimization problems that may require to estimate uncertain parameters beforehand. Recent studies have shown how using traditionally trained estimators for this task can lead to…

Machine Learning · Computer Science 2025-12-19 Gaetano Signorelli , Michele Lombardi

Inverse-designed nanophotonic media are a promising platform for compact optical neural networks, but training them end to end is expensive because each adjoint iteration couples the full-wave solver to the dataset minibatch, so the number…

Optics · Physics 2026-04-24 Azka Maula Iskandar Muda , Uğur Teğin

Surrogate models are used for global approximation of responses generated by expensive computer experiments like CFD applications. In this paper, we make use of structural similarities which are shared by a class of related problems. We…

Numerical Analysis · Mathematics 2012-06-20 Benjamin Rosenbaum , Volker Schulz

High-fidelity numerical simulations of chaotic, high dimensional nonlinear dynamical systems are computationally expensive, necessitating the development of efficient surrogate models. Most surrogate models for such systems are…

Machine Learning · Computer Science 2026-03-16 Dibyajyoti Chakraborty , Hojin Kim , Romit Maulik