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In this paper we introduce a novel way of estimating prediction uncertainty in deep networks through the use of uncertainty surrogates. These surrogates are features of the penultimate layer of a deep network that are forced to match…

Machine Learning · Computer Science 2021-04-19 Radhakrishna Achanta , Natasa Tagasovska

Accurate simulation of brain deformation is a key component for developing realistic, interactive neurosurgical simulators, as complex nonlinear deformations must be captured to ensure realistic tool-tissue interactions. However,…

Accurate simulation of granular flow dynamics is crucial for assessing various geotechnical risks, including landslides and debris flows. Granular flows involve a dynamic rearrangement of particles exhibiting complex transitions from…

Geophysics · Physics 2023-12-13 Yongjin Choi , Krishna Kumar

Phase-field modeling is an effective but computationally expensive method for capturing the mesoscale morphological and microstructure evolution in materials. Hence, fast and generalizable surrogate models are needed to alleviate the cost…

Materials Science · Physics 2022-07-01 Vivek Oommen , Khemraj Shukla , Somdatta Goswami , Remi Dingreville , George Em Karniadakis

In the paper, a multi-objective evolutionary surrogate-assisted approach for the fast and effective generative design of coastal breakwaters is proposed. To approximate the computationally expensive objective functions, the deep…

Neural and Evolutionary Computing · Computer Science 2022-10-28 Nikita O. Starodubcev , Nikolay O. Nikitin , Anna V. Kalyuzhnaya

Accurate yet efficient surrogate models are essential for large-scale simulations of partial differential equations (PDEs), particularly for uncertainty quantification (UQ) tasks that demand hundreds or thousands of evaluations. We develop…

During the design cycle of safety critical vehicle components such as B-pillars, crashworthiness performance is a key metric for passenger protection assessment in vehicle accidents. Traditional finite element simulations for…

Systems and Control · Electrical Eng. & Systems 2025-03-25 Haoran Li , Yingxue Zhao , Haosu Zhou , Tobias Pfaff , Nan Li

This study investigates the integration of machine learning (ML) and data assimilation (DA) techniques, focusing on implementing surrogate models for Geological Carbon Storage (GCS) projects while maintaining high fidelity physical results…

Machine Learning · Computer Science 2025-11-10 G. S. Seabra , N. T. Mücke , V. L. S. Silva , D. Voskov , F. Vossepoel

In computational fluid dynamics, there is an inevitable trade off between accuracy and computational cost. In this work, a novel multi-fidelity deep generative model is introduced for the surrogate modeling of high-fidelity turbulent flow…

Computational Physics · Physics 2021-01-12 Nicholas Geneva , Nicholas Zabaras

Accurate modeling of fluid dynamics around complex geometries is critical for applications such as aerodynamic optimization and biomedical device design. While advancements in numerical methods and high-performance computing have improved…

Machine Learning · Computer Science 2025-03-24 Ali Rabeh , Adarsh Krishnamurthy , Baskar Ganapathysubramanian

Surrogate models of numerical relativity simulations of merging black holes provide the most accurate tools for gravitational-wave data analysis. Neural network-based surrogates promise evaluation speedups, but their accuracy relies on…

General Relativity and Quantum Cosmology · Physics 2025-05-21 Lucy M. Thomas , Katerina Chatziioannou , Vijay Varma , Scott E. Field

Numerical simulation of multiphase flow in porous media is essential for many geoscience applications. Machine learning models trained with numerical simulation data can provide a faster alternative to traditional simulators. Here we…

Geophysics · Physics 2022-05-06 Gege Wen , Zongyi Li , Kamyar Azizzadenesheli , Anima Anandkumar , Sally M. Benson

We present a new hybrid physics-based machine-learning approach to reservoir modeling. The methodology relies on a series of deep adversarial neural network architecture with physics-based regularization. The network is used to simulate the…

Machine Learning · Statistics 2020-01-16 Cedric G. Fraces , Adrien Papaioannou , Hamdi Tchelepi

Wave setup plays a significant role in transferring wave-induced energy to currents and causing an increase in water elevation. This excess momentum flux, known as radiation stress, motivates the coupling of circulation models with wave…

Computational Physics · Physics 2026-04-09 Shukai Cai , Sourav Dutta , Mark Loveland , Eirik Valseth , Peter Rivera-Casillas , Corey Trahan , Clint Dawson

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

A physics-informed convolutional neural network is proposed to simulate two phase flow in porous media with time-varying well controls. While most of PICNNs in existing literatures worked on parameter-to-state mapping, our proposed network…

Machine Learning · Computer Science 2024-10-24 Jungang Chen , Eduardo Gildin , John E. Killough

Phase-field models of liquid metal dealloying (LMD) can resolve rich microstructural dynamics but become intractable for large domains or long time horizons. We present a conditionally parameterized, fully convolutional U-Net surrogate that…

Computational Engineering, Finance, and Science · Computer Science 2025-09-26 Christophe Bonneville , Nathan Bieberdorf , Pieterjan Robbe , Mark Asta , Habib N. Najm , Laurent Capolungo , Cosmin Safta

Neural networks are universal approximators that traditionally have been used to learn a map between function inputs and outputs. However, recent research has demonstrated that deep neural networks can be used to approximate operators,…

Recent attempts to use deep learning for super-resolution reconstruction of turbulent flows have used supervised learning, which requires paired data for training. This limitation hinders more practical applications of super-resolution…

Fluid Dynamics · Physics 2021-02-03 Hyojin Kim , Junhyuk Kim , Sungjin Won , Changghoon Lee

Simulations of crystal growth are performed by using Convolutional Recurrent Neural Network surrogate models, trained on a dataset of time sequences computed by numerical integration of Allen-Cahn dynamics including faceting via kinetic…

Materials Science · Physics 2026-04-24 Matteo Rigoni , Daniele Lanzoni , Francesco Montalenti , Roberto Bergamaschini