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Machine learning techniques not only offer efficient tools for modelling dynamical systems from data, but can also be employed as frontline investigative instruments for the underlying physics. Nontrivial information about the original…

Data Analysis, Statistics and Probability · Physics 2021-02-24 Francesco Borra , Marco Baldovin

Machine learning plays an increasingly important role in computational chemistry and materials science, complementing computationally intensive ab initio and first-principles methods. Despite their utility, machine-learning models often…

Chemical Physics · Physics 2025-05-06 Makoto Takamoto , Viktor Zaverkin , Mathias Niepert

We apply recent advances in machine learning and computer vision to a central problem in materials informatics: The statistical representation of microstructural images. We use activations in a pre-trained convolutional neural network to…

Computational Physics · Physics 2018-12-04 Nicholas Lubbers , Turab Lookman , Kipton Barros

The vast combination of material properties seen in nature are achieved by the complexity of the material microstructure. Advanced characterization and physics based simulation techniques have led to generation of extremely large…

Machine Learning · Computer Science 2023-01-12 Veera Sundararaghavan , Megna N. Shah , Jeff P. Simmons

Video representation learning has recently attracted attention in computer vision due to its applications for activity and scene forecasting or vision-based planning and control. Video prediction models often learn a latent representation…

Computer Vision and Pattern Recognition · Computer Science 2020-09-18 Rama Krishna Kandukuri , Jan Achterhold , Michael Möller , Jörg Stückler

Deep learning methods for material property prediction have been widely explored to advance materials discovery. However, the prevailing pre-train then fine-tune paradigm often fails to address the inherent diversity and disparity of…

Microstructural evolution is a key aspect of understanding and exploiting the structure-property-performance relation of materials. Modeling microstructure evolution usually relies on coarse-grained simulations with evolution principles…

Materials Science · Physics 2020-09-01 Kaiqi Yang , Yifan Cao , Youtian Zhang , Ming Tang , Daniel Aberg , Babak Sadigh , Fei Zhou

In addition to the forward inference of materials properties using machine learning, generative deep learning techniques applied on materials science allow the inverse design of materials, i.e., assessing the…

Materials Science · Physics 2024-10-01 Teng Long , Yixuan Zhang , Hongbin Zhang

Microstructure of materials is often characterized through image analysis to understand processing-structure-properties linkages. We propose a largely automated framework that integrates unsupervised and supervised learning methods to…

Applications · Statistics 2025-09-05 Kungang Zhang , Wei Chen , Wing K. Liu , L. Catherine Brinson , Daniel W. Apley

Fine-grained visual categorization (FGVC) aims at recognizing objects from similar subordinate categories, which is challenging and practical for human's accurate automatic recognition needs. Most FGVC approaches focus on the attention…

Computer Vision and Pattern Recognition · Computer Science 2022-09-01 Hongbo Sun , Xiangteng He , Yuxin Peng

This dissertation uses supervised and unsupervised data mining techniques to analyse office floor plans in an attempt to gain a better understanding of their geometry-to-function relationship. This question was deemed relevant after a…

Machine Learning · Computer Science 2020-05-19 Boyana Buyuklieva

To leverage advancements in machine learning for metallic materials design and property prediction, it is crucial to develop a data-reduced representation of metal microstructures that surpasses the limitations of current physics-based…

The recent breakthroughs in natural language processing for model pretraining on large quantities of data have opened the way for similar foundation models in computer vision. These models could greatly simplify the use of images in any…

Accurate thermal analysis of composites and porous media requires detailed characterization of local thermal properties in small scale. For some important applications such as lithium-ion batteries, changes in the properties during the…

Applied Physics · Physics 2020-10-06 Fazlolah Mohaghegh , Jayathi Murthy

An image-based deep learning framework is developed in this paper to predict damage and failure in microstructure-dependent composite materials. The work is motivated by the complexity and computational cost of high-fidelity simulations of…

Machine Learning · Computer Science 2022-06-07 Reza Sepasdar , Anuj Karpatne , Maryam Shakiba

Physics-constrained data-driven computing is an emerging computational paradigm that allows simulation of complex materials directly based on material database and bypass the classical constitutive model construction. However, it remains…

Numerical Analysis · Mathematics 2022-09-12 Xiaolong He , Qizhi He , Jiun-Shyan Chen

Understanding structure-property relationships in complex materials requires integrating complementary measurements across multiple length scales. Here we propose an interpretable "multimodal" machine learning framework that unifies…

Materials Science · Physics 2026-02-03 Shun Muroga , Hideaki Nakajima , Taiyo Shimizu , Kazufumi Kobashi , Kenji Hata

A key problem in computational material science deals with understanding the effect of material distribution (i.e., microstructure) on material performance. The challenge is to synthesize microstructures, given a finite number of…

Recent work in financial machine learning has shown the virtue of complexity: the phenomenon by which deep learning methods capable of learning highly nonlinear relationships outperform simpler approaches in financial forecasting. While…

Machine Learning · Computer Science 2025-11-06 Emi Soroka , Artem Arzyn

While transformers have surpassed convolutional neural networks (CNNs) in various computer vision tasks, microelectronics defect detection still largely relies on CNNs. We hypothesize that this gap is due to the fact that a) transformers…

Computer Vision and Pattern Recognition · Computer Science 2025-08-13 Nikolai Röhrich , Alwin Hoffmann , Richard Nordsieck , Emilio Zarbali , Alireza Javanmardi