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Direct numerical simulation of hierarchical materials via homogenization-based concurrent multiscale models poses critical challenges for 3D large scale engineering applications, as the computation of highly nonlinear and path-dependent…

计算工程、金融与科学 · 计算机科学 2022-12-29 Shiguang Deng

Falsification of hybrid dynamical systems remains challenging due to mode-dependent dynamics and discrete transitions. In this work, we propose a surrogate-based falsification approach that enables hybrid systems by learning a…

系统与控制 · 电气工程与系统科学 2026-05-11 Lasse Kötz , Knut Åkesson

In this work we introduce RAPIDD, a surrogate model that speeds up the computation of the expected spectrum of dark matter particles in direct detection experiments. RAPIDD replaces the exact calculation of the dark matter differential rate…

高能物理 - 唯象学 · 物理学 2018-09-17 D. G. Cerdeno , A. Cheek , E. Reid , H. Schulz

High-fidelity models are essential for accurately capturing nonlinear system dynamics. However, simulation of these models is often computationally too expensive and, due to their complexity, they are not directly suitable for analysis,…

系统与控制 · 电气工程与系统科学 2025-09-05 E. Javier Olucha , Rajiv Singh , Amritam Das , Roland Tóth

Solving complex problems requires continuous effort in developing theory and practice to cope with larger, more difficult scenarios. Working with surrogates is normal for creating a proxy that realistically models the problem into the…

神经与进化计算 · 计算机科学 2026-02-10 Tomohiro Harada , Enrique Alba , Gabriel Luque

Driven by increased complexity of dynamical systems, the solution of system of differential equations through numerical simulation in optimization problems has become computationally expensive. This paper provides a smart data driven…

最优化与控制 · 数学 2021-08-25 Kainat Khowaja , Mykhaylo Shcherbatyy , Wolfgang Karl Härdle

Machine learning-based surrogate models have emerged as more efficient alternatives to numerical solvers for physical simulations over complex geometries, such as car bodies. Many existing models incorporate the simulation mesh as an…

机器学习 · 计算机科学 2026-01-27 Jan Hagnberger , Mathias Niepert

Assessing the safety and environmental impacts of subsurface resource exploitation and management is critical and requires robust geomechanical modeling. However, uncertainties stemming from model assumptions, intrinsic variability of…

数值分析 · 数学 2025-02-19 Caterina Millevoi , Claudia Zoccarato , Massimiliano Ferronato

We investigate the effectiveness of a simple solution to the common problem of deep learning in medical image analysis with limited quantities of labeled training data. The underlying idea is to assign artificial labels to abundantly…

计算机视觉与模式识别 · 计算机科学 2019-01-28 Nima Tajbakhsh , Yufei Hu , Junli Cao , Xingjian Yan , Yi Xiao , Yong Lu , Jianming Liang , Demetri Terzopoulos , Xiaowei Ding

We propose GNN-Surrogate, a graph neural network-based surrogate model to explore the parameter space of ocean climate simulations. Parameter space exploration is important for domain scientists to understand the influence of input…

大气与海洋物理 · 物理学 2022-02-23 Neng Shi , Jiayi Xu , Skylar W. Wurster , Hanqi Guo , Jonathan Woodring , Luke P. Van Roekel , Han-Wei Shen

We present a graph neural network (GNN) based surrogate framework for molecular dynamics simulations that directly predicts atomic displacements and learns the underlying evolution operator of an atomistic system. Unlike conventional…

材料科学 · 物理学 2025-12-29 Judah Immanuel , Avik Mahata , Aniruddha Maiti

The estimation of unknown values of parameters (or hidden variables, control variables) that characterise a physical system often relies on the comparison of measured data with synthetic data produced by some numerical simulator of the…

机器学习 · 计算机科学 2019-01-28 Xi Chen , Mike Hobson

In this work we explore surrogate models to optimize plasma enhanced atomic layer deposition (PEALD) in high aspect ratio features. In plasma-based processes such as PEALD and atomic layer etching, surface recombination can dominate the…

材料科学 · 物理学 2025-06-12 Angel Yanguas-Gil , Jeffrey W. Elam

Scientific simulations are often used to gain insight into foundational questions. However, many potentially useful simulation results are difficult to visualize without powerful computers. In this research, we seek to build a surrogate…

机器学习 · 计算机科学 2021-10-27 Tim von Hahn , Chris K. Mechefske

Mesh-based simulations play a key role when modeling complex physical systems that, in many disciplines across science and engineering, require the solution of parametrized time-dependent nonlinear partial differential equations (PDEs). In…

数值分析 · 数学 2023-08-04 Nicola Rares Franco , Stefania Fresca , Filippo Tombari , Andrea Manzoni

We build surrogate models for dynamic 3D subsurface single-phase flow problems with multiple vertical producing wells. The surrogate model provides efficient pressure estimation of the entire formation at any timestep given a stochastic…

计算工程、金融与科学 · 计算机科学 2021-11-17 Rui Xu , Dongxiao Zhang , Nanzhe Wang

This paper considers the creation of parametric surrogate models for applications in science and engineering where the goal is to predict high-dimensional spatiotemporal output quantities of interest, such as pressure, temperature and…

计算物理 · 物理学 2022-03-24 Chi Hoang , Kenny Chowdhary , Kookjin Lee , Jaideep Ray

Simulations of high energy density physics are expensive in terms of computational resources. In particular, the computation of opacities of plasmas in the non-local thermal equilibrium (NLTE) regime can consume as much as 90\% of the total…

等离子体物理 · 物理学 2021-10-12 Michael D. Vander Wal , Ryan G. McClarren , Kelli D. Humbird

Recently, surrogate models based on deep learning have attracted much attention for engineering analysis and optimization. As the construction of data pairs in most engineering problems is time-consuming, data acquisition is becoming the…

机器学习 · 计算机科学 2021-09-28 Xiaoyu Zhao , Zhiqiang Gong , Yunyang Zhang , Wen Yao , Xiaoqian Chen

Gradient-based optimization is now ubiquitous across graphics, but unfortunately can not be applied to problems with undefined or zero gradients. To circumvent this issue, the loss function can be manually replaced by a ``surrogate'' that…

计算机视觉与模式识别 · 计算机科学 2024-05-08 Michael Fischer , Tobias Ritschel