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Solving optimization problems with unknown parameters often requires learning a predictive model to predict the values of the unknown parameters and then solving the problem using these values. Recent work has shown that including the…

Machine Learning · Computer Science 2020-10-23 Kai Wang , Bryan Wilder , Andrew Perrault , Milind Tambe

A surrogate model approximates the outputs of a solver of Partial Differential Equations (PDEs) with a low computational cost. In this article, we propose a method to build learning-based surrogates in the context of parameterized PDEs,…

Machine Learning · Computer Science 2024-06-28 Alejandro Ribés , Nawfal Benchekroun , Théo Delagnes

Direct prediction of material properties from microstructures through statistical models has shown to be a potential approach to accelerating computational material design with large design spaces. However, statistical modeling of highly…

Computational Physics · Physics 2017-12-12 Ruijin Cang , Hechao Li , Hope Yao , Yang Jiao , Yi Ren

The design of inertial fusion experiments is a complex task as driver energy must be delivered in a precise manner to a structured target to achieve a fast, but hydrodynamically stable, implosion. Radiation-hydrodynamics simulation codes…

Plasma Physics · Physics 2025-08-29 A. J. Crilly , P. W. Moloney , D. Shi , E. A. Ferdinandi

Operator-based neural network architectures such as DeepONets have emerged as a promising tool for the surrogate modeling of physical systems. In general, towards operator surrogate modeling, the training data is generated by solving the…

Machine Learning · Computer Science 2024-02-28 Shivam Choubey , Birupaksha Pal , Manish Agrawal

Modeling plays a critical role in additive manufacturing (AM), enabling a deeper understanding of underlying processes. Parametric solutions for such models are of great importance, enabling the optimization of production processes and…

Computational Engineering, Finance, and Science · Computer Science 2025-02-05 Hesameddin Safari , Henning Wessels

The entry phase constitutes a design driver for aerospace systems that include such a critical step. This phase is characterized by hypersonic flows encompassing multiscale phenomena that require advanced modeling capabilities. However,…

Particle accelerator modeling is an important field of research and development, essential to investigating, designing and operating some of the most complex scientific devices ever built. Kinetic simulations of relativistic, charged…

Accelerator Physics · Physics 2024-05-02 Ryan T. Sandberg , Remi Lehe , Chad E. Mitchell , Marco Garten , Andrew Myers , Ji Qiang , Jean-Luc Vay , Axel Huebl

Generative models have attracted considerable attention for their ability to produce novel shapes. However, their application in mechanical design remains constrained due to the limited size and variability of available datasets. This study…

Computer Vision and Pattern Recognition · Computer Science 2025-06-17 Yongmin Kwon , Namwoo Kang

Exploring ensemble simulations is increasingly important across many scientific domains. However, supporting flexible post-hoc exploration remains challenging due to the trade-off between storing the expensive raw data and flexibly…

Graphics · Computer Science 2026-04-09 Ziwei Li , Rumali Perera , Angus Forbes , Ken Moreland , Dave Pugmire , Scott Klasky , Wei-Lun Chao , Han-Wei Shen

Stochastically evolving geometric systems are studied in shape analysis and computational anatomy for modelling random evolutions of human organ shapes. The notion of geodesic paths between shapes is central to shape analysis and has a…

Numerical Analysis · Mathematics 2022-12-01 Alexis Arnaudon , Frank van der Meulen , Moritz Schauer , Stefan Sommer

Surrogate models driven by sizeable datasets and scientific machine-learning methods have emerged as an attractive microstructure simulation tool with the potential to deliver predictive microstructure evolution dynamics with huge savings…

Materials Science · Physics 2024-01-22 Shaoxun Fan , Andrew L. Hitt , Ming Tang , Babak Sadigh , Fei Zhou

Self-supervised pretraining from static structures of drug-like compounds and proteins enable powerful learned feature representations. Learned features demonstrate state of the art performance on a range of predictive tasks including…

Biomolecules · Quantitative Biology 2025-09-12 Derek Jones , Yue Yang , Felice C. Lightstone , Niema Moshiri , Jonathan E. Allen , Tajana S. Rosing

Understanding and predicting the progression of neurodegenerative diseases remains a major challenge in medical AI, with significant implications for early diagnosis, disease monitoring, and treatment planning. However, most available…

Computer Vision and Pattern Recognition · Computer Science 2026-04-27 Nivetha Jayakumar , Swakshar Deb , Bahram Jafrasteh , Qingyu Zhao , Miaomiao Zhang

3D generative modeling is accelerating as the technology allowing the capture of geometric data is developing. However, the acquired data is often inconsistent, resulting in unregistered meshes or point clouds. Many generative learning…

Computer Vision and Pattern Recognition · Computer Science 2023-06-29 Thomas Besnier , Sylvain Arguillère , Emery Pierson , Mohamed Daoudi

Efficiently predicting the flowfield and load in aerodynamic shape optimisation remains a highly challenging and relevant task. Deep learning methods have been of particular interest for such problems, due to their success for solving…

Fluid Dynamics · Physics 2021-06-16 Li-Wei Chen , Berkay Alp Cakal , Xiangyu Hu , Nils Thuerey

Surrogate model-based optimization has been increasingly used in the field of engineering design. It involves creating a surrogate model with objective functions or constraints based on the data obtained from simulations or real-world…

Optimization and Control · Mathematics 2023-08-28 Minyoung Jwa , Jihoon Kim , Seungyeon Shin , Ah-hyeon Jin , Dongju Shin , Namwoo Kang

We introduce a latent 3D representation that models 3D surfaces as probability density functions in 3D, i.e., p(x,y,z), with flow-matching. Our representation is specifically designed for consumption by machine learning models, offering…

Computer Vision and Pattern Recognition · Computer Science 2025-03-26 Jen-Hao Rick Chang , Yuyang Wang , Miguel Angel Bautista Martin , Jiatao Gu , Xiaoming Zhao , Josh Susskind , Oncel Tuzel

Statistical shape modeling (SSM) characterizes anatomical variations in a population of shapes generated from medical images. SSM requires consistent shape representation across samples in shape cohort. Establishing this representation…

Computer Vision and Pattern Recognition · Computer Science 2022-03-17 Riddhish Bhalodia , Shireen Elhabian , Jadie Adams , Wenzheng Tao , Ladislav Kavan , Ross Whitaker

This study proposes a new discrete neural operator for surrogate modeling of transient Darcy flow fields in heterogeneous porous media with random parameters. The new method integrates temporal encoding, operator learning and UNet to…

Numerical Analysis · Mathematics 2025-12-04 Zhenglong Chen , Zhao Zhang , Xia Yan , Jiayu Zhai , Piyang Liu , Kai Zhang