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Deep learning surrogate models are being increasingly used in accelerating scientific simulations as a replacement for costly conventional numerical techniques. However, their use remains a significant challenge when dealing with real-world…

Machine Learning · Computer Science 2023-03-27 Saurabh Deshpande , Raúl I. Sosa , Stéphane P. A. Bordas , Jakub Lengiewicz

In astrophysical simulations, nuclear reacting flows pose computational challenges due to the stiffness of reaction networks. We introduce neural network-based surrogate models using the DeePODE framework to enhance simulation efficiency…

Instrumentation and Methods for Astrophysics · Physics 2025-10-14 Xiaoyu Zhang , Yuxiao Yi , Lile Wang , Zhi-Qin John Xu , Tianhan Zhang , Yao Zhou

We leverage physics-embedded differentiable graph network simulators (GNS) to accelerate particulate and fluid simulations to solve forward and inverse problems. GNS represents the domain as a graph with particles as nodes and learned…

Geophysics · Physics 2023-09-26 Krishna Kumar , Yongjin Choi

Recent advances in deep learning have inspired numerous works on data-driven solutions to partial differential equation (PDE) problems. These neural PDE solvers can often be much faster than their numerical counterparts; however, each…

Machine Learning · Computer Science 2025-02-06 Anthony Zhou , Zijie Li , Michael Schneier , John R Buchanan , Amir Barati Farimani

Recent progress in deep learning has been driven by increasingly larger models. However, their computational and energy demands have grown proportionally, creating significant barriers to their deployment and to a wider adoption of deep…

Machine Learning · Computer Science 2025-09-16 Pedro Savarese

Subsurface simulations use computational models to predict the flow of fluids (e.g., oil, water, gas) through porous media. These simulations are pivotal in industrial applications such as petroleum production, where fast and accurate…

Machine Learning · Computer Science 2022-06-16 Tailin Wu , Qinchen Wang , Yinan Zhang , Rex Ying , Kaidi Cao , Rok Sosič , Ridwan Jalali , Hassan Hamam , Marko Maucec , Jure Leskovec

Deep surrogate models for parametric partial differential equations (PDEs) can deliver high-fidelity approximations but remain prohibitively data-hungry: training often requires thousands of fine-grid simulations, each incurring substantial…

Machine Learning · Computer Science 2026-03-03 Yang Meng , Ruoxi Jiang , Zhuokai Zhao , Chong Liu , Rebecca Willett , Yuxin Chen

This paper aims to accelerate the test-time computation of deep convolutional neural networks (CNNs). Unlike existing methods that are designed for approximating linear filters or linear responses, our method takes the nonlinear units into…

Computer Vision and Pattern Recognition · Computer Science 2014-11-18 Xiangyu Zhang , Jianhua Zou , Xiang Ming , Kaiming He , Jian Sun

This paper presents our work on developing parallel computational methods for two-phase flow on modern parallel computers, where techniques for linear solvers and nonlinear methods are studied and the standard and inexact Newton methods are…

Computational Engineering, Finance, and Science · Computer Science 2017-01-24 Hui Liu , Lihua Shen , Yan Chen , Kun Wang , Bo Yang , Zhangxin Chen

One of the most popular recent areas of machine learning predicates the use of neural networks augmented by information about the underlying process in the form of Partial Differential Equations (PDEs). These physics-informed neural…

Fluid Dynamics · Physics 2025-06-17 Luca Menicali , David H. Richter , Stefano Castruccio

Due to the recent advances on Neural Architecture Search (NAS), it gains popularity in designing best networks for specific tasks. Although it shows promising results on many benchmarks and competitions, NAS still suffers from its demanding…

Machine Learning · Computer Science 2019-11-22 Minje Park

The simulation of power system dynamics poses a computationally expensive task. Considering the growing uncertainty of generation and demand patterns, thousands of scenarios need to be continuously assessed to ensure the safety of power…

Systems and Control · Electrical Eng. & Systems 2023-11-13 Jochen Stiasny , Spyros Chatzivasileiadis

Reservoir simulations are computationally expensive in the well control and well placement optimization. Generally, numerous simulation runs (realizations) are needed in order to achieve the optimal well locations. In this paper, we propose…

Machine Learning · Computer Science 2022-03-23 Haoyu Tang , Wennan Long

Neural networks are one tool for approximating non-linear differential equations used in scientific computing tasks such as surrogate modeling, real-time predictions, and optimal control. PDE foundation models utilize neural networks to…

Machine Learning · Computer Science 2025-02-11 Elisa Negrini , Yuxuan Liu , Liu Yang , Stanley J. Osher , Hayden Schaeffer

The precise simulation of turbulent flows is of immense importance in a variety of scientific and engineering fields, including climate science, freshwater science, and the development of energy-efficient manufacturing processes. Within the…

Fluid Dynamics · Physics 2024-06-10 Shengyu Chen , Peyman Givi , Can Zheng , Xiaowei Jia

Neural network (NN) models are increasingly used in scientific simulations, AI, and other high performance computing (HPC) fields to extract knowledge from datasets. Each dataset requires tailored NN model architecture, but designing…

Machine Learning · Computer Science 2021-08-12 Ariel Keller Rorabaugh , Silvina Caíno-Lores , Michael R. Wyatt , Travis Johnston , Michela Taufer

Neural networks offer high-accuracy solutions to a range of problems, but are costly to run in production systems because of computational and memory requirements during a forward pass. Given a trained network, we propose a techique called…

Computer Vision and Pattern Recognition · Computer Science 2018-06-18 Michele Pratusevich

Complex physical simulations often require trade-offs between model fidelity and computational feasibility. We introduce Adaptive Online Emulation (AOE), which dynamically learns neural network surrogates during simulation execution to…

Direct numerical simulations (DNS) are accurate but computationally expensive for predicting materials evolution across timescales, due to the complexity of the underlying evolution equations, the nature of multiscale spatio-temporal…

Machine Learning · Computer Science 2023-12-12 Vivek Oommen , Khemraj Shukla , Saaketh Desai , Remi Dingreville , George Em Karniadakis

To date, the simulation of organ deformations for applications like therapy planning or image-guided interventions is calculated by solving the elastodynamics equations. While efficient solvers have been proposed for fast simulations,…

Quantitative Methods · Quantitative Biology 2018-12-18 Felix Meister , Tiziano Passerini , Viorel Mihalef , Ahmet Tuysuzoglu , Andreas Maier , Tommaso Mansi