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Learning solution operators of partial differential equations (PDEs) from data has emerged as a promising route to fast surrogate models in multi-query scientific workflows. However, for geometric PDEs whose inputs and outputs transform…

Artificial Intelligence · Computer Science 2026-03-17 Pengcheng Cheng

Generating motion for robots that interact with objects of various shapes is a complex challenge, further complicated when the robot's own geometry and multiple desired behaviors are considered. To address this issue, we introduce a new…

Robotics · Computer Science 2023-09-19 Xuemin Chi , Tobias Löw , Yiming Li , Zhitao Liu , Sylvain Calinon

Surrogate models are widely used in mechanical design and manufacturing process optimization, where high-fidelity computational models may be unavailable or prohibitively expensive. Their effectiveness, however, is often limited by data…

Machine Learning · Computer Science 2026-03-03 Bingran Wang , Seongha Jeong , Sebastiaan P. C. van Schie , Dongyeon Han , Jaeho Min , John T. Hwang

In engineering design, surrogate models are widely employed to replace computationally expensive simulations by leveraging design variables and geometric parameters from computer-aided design (CAD) models. However, these models often lose…

Machine Learning · Computer Science 2024-06-05 Jangseop Park , Namwoo Kang

Parametric partial differential equations (PDEs) serve as fundamental mathematical tools for modeling complex physical phenomena, yet repeated high-fidelity numerical simulations across parameter spaces remain computationally prohibitive.…

Machine Learning · Statistics 2026-04-08 Pucheng Tang , Hongqiao Wang , Wenzhou Lin , Qian Chen , Heng Yong

Federated optimization, an emerging paradigm which finds wide real-world applications such as federated learning, enables multiple clients (e.g., edge devices) to collaboratively optimize a global function. The clients do not share their…

Machine Learning · Computer Science 2023-08-09 Yao Shu , Xiaoqiang Lin , Zhongxiang Dai , Bryan Kian Hsiang Low

Physics-Informed Neural Networks (PINNs) have recently shown great promise as a way of incorporating physics-based domain knowledge, including fundamental governing equations, into neural network models for many complex engineering systems.…

Machine Learning · Computer Science 2021-05-06 Jian Cheng Wong , Chinchun Ooi , Pao-Hsiung Chiu , My Ha Dao

The optimization of radiofrequency-wave (RF) systems for fusion experiments is often performed using ray-tracing codes, which rely on the geometrical-optics (GO) approximation. However, GO fails at caustics such as cutoffs and focal points,…

Plasma Physics · Physics 2022-05-24 N. A. Lopez , I. Y. Dodin

Data-driven modeling can suffer from a constant demand for data, leading to reduced accuracy and impractical for engineering applications due to the high cost and scarcity of information. To address this challenge, we propose a progressive…

Machine Learning · Computer Science 2023-10-09 Teeratorn Kadeethum , Daniel O'Malley , Youngsoo Choi , Hari S. Viswanathan , Hongkyu Yoon

Solving partial differential equations (PDEs) efficiently and accurately remains a cornerstone challenge in science and engineering, especially for problems involving complex geometries and limited labeled data. We introduce a Physics- and…

Machine Learning · Computer Science 2025-08-14 Subhankar Sarkar , Souvik Chakraborty

The optimization of geometries for aerodynamic design often relies on a large number of expensive simulations to evaluate and iteratively improve the geometries. It is possible to reduce the number of simulations by providing a starting…

Computational Engineering, Finance, and Science · Computer Science 2024-09-23 Thomas Wagenaar , Simone Mancini , Andrés Mateo-Gabín

While machine learning models are typically trained to solve prediction problems, we might often want to use them for optimization problems. For example, given a dataset of proteins and their corresponding fluorescence levels, we might want…

Machine Learning · Computer Science 2024-10-18 Jakub Grudzien Kuba , Masatoshi Uehara , Pieter Abbeel , Sergey Levine

Deep Learning-based Reduced Order Models (DL-ROMs) provide nowadays a well-established class of accurate surrogate models for complex physical systems described by parametrized PDEs, by nonlinearly compressing the solution manifold into a…

Numerical Analysis · Mathematics 2024-11-11 Simone Brivio , Stefania Fresca , Andrea Manzoni

Training model to generate data has increasingly attracted research attention and become important in modern world applications. We propose in this paper a new geometry-based optimization approach to address this problem. Orthogonal to…

Machine Learning · Computer Science 2017-08-18 Trung Le , Hung Vu , Tu Dinh Nguyen , Dinh Phung

Parametric shape optimization aims at minimizing an objective function f(x) where x are CAD parameters. This task is difficult when f is the output of an expensive-to-evaluate numerical simulator and the number of CAD parameters is large.…

Machine Learning · Statistics 2021-05-06 David Gaudrie , Rodolphe Le Riche , Victor Picheny , Benoit Enaux , Vincent Herbert

In recent years, there has been a growing interest in understanding complex microstructures and their effect on macroscopic properties. In general, it is difficult to derive an effective constitutive law for such microstructures with…

Computational Engineering, Finance, and Science · Computer Science 2023-10-18 Theron Guo , Ondřej Rokoš , Karen Veroy

High-dimensional optimization is a critical challenge for operating large-scale scientific facilities. We apply a physics-informed Gaussian process (GP) optimizer to tune a complex system by conducting efficient global search. Typical GP…

Computational Physics · Physics 2021-07-14 Adi Hanuka , X. Huang , J. Shtalenkova , D. Kennedy , A. Edelen , V. R. Lalchand , D. Ratner , J. Duris

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

The problem of identifying geometric structure in data is a cornerstone of (unsupervised) learning. As a result, Geometric Representation Learning has been widely applied across scientific and engineering domains. In this work, we…

Machine Learning · Computer Science 2025-06-03 Imran Nasim , Melanie Weber

Bayesian optimization (BO) is a widely used method for data-driven optimization that generally relies on zeroth-order data of objective function to construct probabilistic surrogate models. These surrogates guide the…

Machine Learning · Computer Science 2025-08-08 Georgios Makrygiorgos , Joshua Hang Sai Ip , Ali Mesbah