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From biological organs to soft robotics, highly deformable materials are essential components of natural and engineered systems. These highly deformable materials can have heterogeneous material properties, and can experience heterogeneous…

Machine Learning · Computer Science 2023-08-31 Quan Nguyen , Emma Lejeune

Modeling complex spatiotemporal dynamical systems, such as the reaction-diffusion processes, have largely relied on partial differential equations (PDEs). However, due to insufficient prior knowledge on some under-explored dynamical…

Machine Learning · Computer Science 2023-05-23 Chengping Rao , Pu Ren , Qi Wang , Oral Buyukozturk , Hao Sun , Yang Liu

Constitutive laws underlie most physical processes in nature. However, learning such equations in heterogeneous solids (e.g., due to phase separation) is challenging. One such relationship is between composition and eigenstrain, which…

Accurately modeling the mechanical behavior of materials is crucial for numerous engineering applications. The quality of these models depends directly on the accuracy of the constitutive law that defines the stress-strain relation.…

Materials Science · Physics 2025-03-18 Zhichao Han , Mohit Pundir , Olga Fink , David S. Kammer

Physical learning is an emerging paradigm in science and engineering whereby (meta)materials acquire desired macroscopic behaviors by exposure to examples. So far, it has been applied to static properties such as elastic moduli and…

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…

Learning physical dynamics from data is a fundamental challenge in machine learning and scientific modeling. Real-world observational data are inherently incomplete and irregularly sampled, posing significant challenges for existing…

Machine Learning · Computer Science 2026-05-04 Zihan Zhou , Chenguang Wang , Hongyi Ye , Yongtao Guan , Tianshu Yu

Machine learning approaches informed by physics have offered new insights into the discovery of constitutive models from data, helping overcome some limitations of traditional constitutive modelling while reducing the cost of otherwise…

Materials Science · Physics 2026-05-19 Filippo Masi

Form a pure mathematical point of view, common functional forms representing different physical phenomena can be defined. For example, rates of chemical reactions, diffusion and heat transfer are all governed by exponential-type…

Machine Learning · Computer Science 2019-10-01 Navid Zobeiry , Keith D. Humfeld

Reaction rate equations are ordinary differential equations that are frequently used to describe deterministic chemical kinetics at the macroscopic scale. At the microscopic scale, the chemical kinetics is stochastic and can be captured by…

Soft Condensed Matter · Physics 2021-05-12 Ariana Torres-Knoop , Ivan Kryven

Chemical kinetic mechanisms can be represented by sets of elementary reactions that are easily translated into mathematical terms using physicochemical relationships. The schematic representation of reactions captures the interactions…

Optimization and Control · Mathematics 2019-02-12 Farshad Harirchi , Doohyun Kim , Omar A. Khalil , Sijia Liu , Paolo Elvati , Angela Violi , Alfred O. Hero

Hydrogen diffusion in metals and alloys plays an important role in the discovery of new materials for fuel cell and energy storage technology. While analytic models use hand-selected features that have clear physical ties to hydrogen…

Materials Science · Physics 2023-10-30 Grace M. Lu , Matthew Witman , Sapan Agarwal , Vitalie Stavila , Dallas R. Trinkle

Single-particle traces of the diffusive motion of molecules, cells, or animals are by-now routinely measured, similar to stochastic records of stock prices or weather data. Deciphering the stochastic mechanism behind the recorded dynamics…

Statistical Mechanics · Physics 2023-09-14 Henrik Seckler , Janusz Szwabinski , Ralf Metzler

Many natural materials exhibit highly complex, nonlinear, anisotropic, and heterogeneous mechanical properties. Recently, it has been demonstrated that data-driven strain energy functions possess the flexibility to capture the behavior of…

Computational Engineering, Finance, and Science · Computer Science 2023-10-09 Vahidullah Tac , Manuel K Rausch , Ilias Bilionis , Francisco Sahli Costabal , Adrian Buganza Tepole

X-ray diffraction is ideal for probing sub-surface state during complex or rapid thermomechanical loading of crystalline materials. However, challenges arise as the size of diffraction volumes increases due to spatial broadening and…

Materials Science · Physics 2025-01-10 Rachel E. Lim , Shun-Li Shang , Chihpin Chuang , Thien Q. Phan , Zi-Kui Liu , Darren C. Pagan

The predominant success of diffusion models in generative modeling has spurred significant interest in understanding their theoretical foundations. In this work, we propose a feature learning framework aimed at analyzing and comparing the…

Machine Learning · Statistics 2025-03-04 Andi Han , Wei Huang , Yuan Cao , Difan Zou

Modeling nonlinear spatiotemporal dynamical systems has primarily relied on partial differential equations (PDEs). However, the explicit formulation of PDEs for many underexplored processes, such as climate systems, biochemical reaction and…

Machine Learning · Computer Science 2023-05-23 Chengping Rao , Hao Sun , Yang Liu

The task of modelling and forecasting a dynamical system is one of the oldest problems, and it remains challenging. Broadly, this task has two subtasks - extracting the full dynamical information from a partial observation; and then…

Dynamical Systems · Mathematics 2022-08-16 Tyrus Berry , Suddhasattwa Das

Machine learning recently has been used to identify the governing equations for dynamics in physical systems. The promising results from applications on systems such as fluid dynamics and chemical kinetics inspire further investigation of…

Systems and Control · Electrical Eng. & Systems 2019-07-19 Renganathan Subramanian , Shweta Singh

Diffusion models have emerged as powerful generative frameworks by progressively adding noise to data through a forward process and then reversing this process to generate realistic samples. While these models have achieved strong…

Machine Learning · Computer Science 2025-03-04 Xingzhuo Guo , Yu Zhang , Baixu Chen , Haoran Xu , Jianmin Wang , Mingsheng Long
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