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This work presents a physics-informed neural network approach bridging deep-learning force field and electronic structure simulations, illustrated through twisted two-dimensional large-scale material systems. The deep potential molecular…

Materials Science · Physics 2024-04-02 Yubo Qi , Weiyi Gong , Qimin Yan

Statistical learning in high-dimensional spaces is challenging without a strong underlying data structure. Recent advances with foundational models suggest that text and image data contain such hidden structures, which help mitigate the…

Machine Learning · Statistics 2025-02-04 Charles Arnal , Clement Berenfeld , Simon Rosenberg , Vivien Cabannes

The accuracy and fidelity of deformation simulations are highly dependent upon the underlying constitutive material model. Commonly used linear or nonlinear constitutive material models only cover a tiny part of possible material behavior.…

Graphics · Computer Science 2018-08-16 Bin Wang , Paul Kry , Yuanmin Deng , Uri Ascher , Hui Huang , Baoquan Chen

Deep learning has arguably achieved tremendous success in recent years. In simple words, deep learning uses the composition of many nonlinear functions to model the complex dependency between input features and labels. While neural networks…

Machine Learning · Statistics 2019-04-16 Jianqing Fan , Cong Ma , Yiqiao Zhong

Musculoskeletal models have been widely used for detailed biomechanical analysis to characterise various functional impairments given their ability to estimate movement variables (i.e., muscle forces and joint moment) which cannot be…

Signal Processing · Electrical Eng. & Systems 2022-07-05 Jie Zhang , Yihui Zhao , Fergus Shone , Zhenhong Li , Alejandro F. Frangi , Shengquan Xie , Zhiqiang Zhang

Machine learning models often require large datasets and struggle to generalize beyond their training distribution. These limitations pose significant challenges in scientific and engineering contexts, where generating exhaustive datasets…

Chemical Physics · Physics 2025-06-12 Salman N. Salman , Sergey A. Shteingolts , Ron Levie , Dan Mendels

In the emerging field of mechanical metamaterials, using periodic lattice structures as a primary ingredient is relatively frequent. However, the choice of aperiodic lattices in these structures presents unique advantages regarding failure,…

Skin dynamics contributes to the enriched realism of human body models in rendered scenes. Traditional methods rely on physics-based simulations to accurately reproduce the dynamic behavior of soft tissues. Due to the model complexity and…

Graphics · Computer Science 2022-01-20 Hyewon Seo , Kaifeng Zou , Frederic Cordier

Differential equations are a ubiquitous tool to study dynamics, ranging from physical systems to complex systems, where a large number of agents interact through a graph with non-trivial topological features. Data-driven approximations of…

Statistical Mechanics · Physics 2024-04-26 Vaiva Vasiliauskaite , Nino Antulov-Fantulin

Disentangled representation learning offers useful properties such as dimension reduction and interpretability, which are essential to modern deep learning approaches. Although deep learning techniques have been widely applied to…

Machine Learning · Computer Science 2022-04-11 Sichen Zhao , Wei Shao , Jeffrey Chan , Flora D. Salim

We present a general framework for modeling power magnetic materials characteristics using deep neural networks. Magnetic materials represented by multidimensional characteristics (that mimic measurements) are used to train the neural…

Materials Science · Physics 2025-10-10 Paweł Leszczyński , Kamil Kutorasiński , Marcin Szewczyk , Jarosław Pawłowski

Data-driven methods have become increasingly more prominent for musculoskeletal modelling due to their conceptually intuitive simple and fast implementation. However, the performance of a pre-trained data-driven model using the data from…

Signal Processing · Electrical Eng. & Systems 2022-11-23 Jie Zhang , Yihui Zhao , Tianzhe Bao , Zhenhong Li , Kun Qian , Alejandro F. Frangi , Sheng Quan Xie , Zhi-Qiang Zhang

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

Deep neural network models have become ubiquitous in recent years, and have been applied to nearly all areas of science, engineering, and industry. These models are particularly useful for data that have strong dependencies in space (e.g.,…

Machine Learning · Statistics 2022-06-07 Christopher K. Wikle , Andrew Zammit-Mangion

The dynamics of materials failure is one of the most critical phenomena in a range of scientific and engineering fields, from healthcare to structural materials to transportation. In this paper we propose a specially designed deep neural…

Materials Science · Physics 2022-11-17 Yu-Chuan Hsu , Markus J. Buehler

Delicate cloth simulations have long been desired in computer graphics. Various methods were proposed to improve engaged force interactions, collision handling, and numerical integrations. Deep learning has the potential to achieve fast and…

Graphics · Computer Science 2025-01-20 Zhiwei Zhao

For four decades statistical physics has been providing a framework to analyse neural networks. A long-standing question remained on its capacity to tackle deep learning models capturing rich feature learning effects, thus going beyond the…

Machine Learning · Statistics 2025-12-15 Jean Barbier , Francesco Camilli , Minh-Toan Nguyen , Mauro Pastore , Rudy Skerk

Datasets such as images, text, or movies are embedded in high-dimensional spaces. However, in important cases such as images of objects, the statistical structure in the data constrains samples to a manifold of dramatically lower…

Machine Learning · Computer Science 2019-10-29 Stefano Recanatesi , Matthew Farrell , Madhu Advani , Timothy Moore , Guillaume Lajoie , Eric Shea-Brown

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

Material identification is critical for understanding the relationship between mechanical properties and the associated mechanical functions. However, material identification is a challenging task, especially when the characteristic of the…

Materials Science · Physics 2022-11-29 Wensi Wu , Mitchell Daneker , Matthew A. Jolley , Kevin T. Turner , Lu Lu