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Establishing structure-property linkages in polycrystalline materials requires representative two- (2D) and three- (3D) dimensional microstructural inputs for full-field simulations. A core objective of microstructure characterization and…

Machine learning surrogate emulators are needed in engineering design and optimization tasks to rapidly emulate computationally expensive physics-based models. In micromechanics problems the local full-field response variables are desired…

Computational Engineering, Finance, and Science · Computer Science 2024-05-17 Patxi Fernandez-Zelaia , Jason Mayeur , Jiahao Cheng , Yousub Lee , Kevin Knipe , Kai Kadau

In recent decades, the main focus of computer modeling has been on supporting the design and development of engineering prototyes, but it is now ubiquitous in non-traditional areas such as medical rehabilitation. Conventional modeling…

Machine Learning · Computer Science 2024-09-13 Jonas Kneifl , David Rosin , Oliver Röhrle , Jörg Fehr

This paper presents a novel dynamic model for slug flow crystallizers that addresses the challenges of spatial distribution without backmixing or diffusion, potentially enabling advanced model-based control. The developed model can…

Systems and Control · Electrical Eng. & Systems 2025-10-21 Collin R. Johnson , Stijn de Vries , Kerstin Wohlgemuth , Sergio Lucia

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…

Computer Vision and Pattern Recognition · Computer Science 2019-01-28 Nima Tajbakhsh , Yufei Hu , Junli Cao , Xingjian Yan , Yi Xiao , Yong Lu , Jianming Liang , Demetri Terzopoulos , Xiaowei Ding

The expansiveness of compositional phase space is too vast to fully search using current theoretical tools for many emergent problems in condensed matter physics. The reliance on a deep chemical understanding is one method to identify local…

Superconductivity · Physics 2023-01-26 Lazar Novakovic , Ashkan Salamat , Keith V. Lawler

This short paper presents the potential of using machine learning to predict materials behaviour in the context of hydrogen interaction with steel. Effort has been made to understand the quality, and amount of data needed to get improved…

Materials Science · Physics 2021-10-22 M. Amir Siddiq

Machine learning offers promising tools to develop surrogate models for polymer structure-property relations. Surrogate models can be built upon existing polymer data and are useful for rapidly predicting the properties of unknown polymers.…

Soft Condensed Matter · Physics 2023-08-22 Agrim Babbar , Sriram Ragunathan , Debirupa Mitra , Arnab Dutta , Tarak. K Patra

Limited capture range, and the requirement to provide high quality initialization for optimization-based 2D/3D image registration methods, can significantly degrade the performance of 3D image reconstruction and motion compensation…

Computer Vision and Pattern Recognition · Computer Science 2018-01-24 Benjamin Hou , Bishesh Khanal , Amir Alansary , Steven McDonagh , Alice Davidson , Mary Rutherford , Jo V. Hajnal , Daniel Rueckert , Ben Glocker , Bernhard Kainz

Accurate machine-learning models for aerodynamic prediction are essential for accelerating shape optimization, yet remain challenging to develop for complex three-dimensional configurations due to the high cost of generating training data.…

Machine Learning · Computer Science 2026-04-21 Yunjia Yang , Babak Gholami , Caglar Gurbuz , Mohammad Rashed , Nils Thuerey

We present a scalable framework for learning deterministic and probabilistic neural surrogates for high-resolution 3D physics simulations. We introduce a hybrid CNN-Transformer backbone architecture targeted for 3D physics simulations,…

Machine Learning · Computer Science 2025-10-09 Benjamin Holzschuh , Georg Kohl , Florian Redinger , Nils Thuerey

This work presents a machine learning approach to predict peak-stress clusters in heterogeneous polycrystalline materials. Prior work on using machine learning in the context of mechanics has largely focused on predicting the effective…

Analysis of PDEs · Mathematics 2024-05-10 Ankit Shrivastava , Jingxiao Liu , Kaushik Dayal , Hae Young Noh

In this paper we study the efficacy of combining machine-learning methods with projection-based model reduction techniques for creating data-driven surrogate models of computationally expensive, high-fidelity physics models. Such surrogate…

Fluid Dynamics · Physics 2022-09-28 Kenny Chowdhary , Chi Hoang , Kookjin Lee , Jaideep Ray

Computational material modeling using advanced numerical techniques speeds up the design process and reduces the costs of developing new engineering products. In the field of multiscale modeling, huge computation efforts are expected for…

Disordered Systems and Neural Networks · Physics 2023-01-31 Fadi Aldakheel , Celal Soyarslan , Hari Subramani Palanisamy , Elsayed Saber Elsayed

In the whole aircraft structural optimization loop, thermal analysis plays a very important role. But it faces a severe computational burden when directly applying traditional numerical analysis tools, especially when each optimization…

Machine Learning · Computer Science 2022-03-17 Kairui Bao , Wen Yao , Xiaoya Zhang , Wei Peng , Yu Li

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

Phase-field modeling is an elegant and versatile computation tool to predict microstructure evolution in materials in the mesoscale regime. However, these simulations require rigorous numerical solutions of differential equations, which are…

Materials Science · Physics 2023-08-08 Owais Ahmad , Naveen Kumar , Rajdip Mukherjee , Somnath Bhowmick

Surrogate modeling is an essential data-driven technique for quantifying relationships between input variables and system responses in manufacturing and engineering systems. Two major challenges limit its effectiveness: (1) large data…

Machine Learning · Computer Science 2026-03-11 Manan Mehta , Zhiqiao Dong , Yuhang Yang , Chenhui Shao

Solving flow through porous media is a crucial step in the topology optimisation of cold plates, a key component in modern thermal management. Traditional computational fluid dynamics (CFD) methods, while accurate, are often prohibitively…

Fluid Dynamics · Physics 2026-03-10 Jinhong Wang , Matei C. Ignuta-Ciuncanu , Ricardo F. Martinez-Botas , Teng Cao

Characterizing the interior structure of exoplanets is an inverse problem often solved using Bayesian inference, but this approach is hampered by the high computational cost of planetary structure models. To overcome this barrier, we…

Earth and Planetary Astrophysics · Physics 2025-12-22 Tijn De Wringer , Caroline Dorn , Emily O. Garvin , Stefano Marelli
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