English
Related papers

Related papers: A hierarchy of thermodynamics learning frameworks …

200 papers

This work presents a two-stage physics-informed, data-driven constitutive modeling framework for hyperelastic soft materials undergoing progressive damage and failure. The framework is grounded in the concept of hyperelasticity with energy…

Computational Engineering, Finance, and Science · Computer Science 2026-02-13 Kshitiz Upadhyay

A novel data-driven constitutive modeling approach is proposed, which combines the physics-informed nature of modeling based on continuum thermodynamics with the benefits of machine learning. This approach is demonstrated on…

Computational Engineering, Finance, and Science · Computer Science 2023-04-28 Kshitiz Upadhyay , Jan N. Fuhg , Nikolaos Bouklas , K. T. Ramesh

Thermodynamics with internal variables is a common approach in continuum mechanics to model inelastic (i.e., non-equilibrium) material behavior. While this approach is computationally and theoretically attractive, it currently lacks a…

Statistical Mechanics · Physics 2025-01-31 Weilun Qiu , Shenglin Huang , Celia Reina

Many geologic materials have a composite structure, in which macroscopic mechanical behavior is determined by the properties, shape, and heterogeneous distribution of individual constituents. In particular, sedimentary rocks commonly…

Geophysics · Physics 2020-08-26 Shabnam J. Semnani , Joshua A. White

We introduce an information-theoretic framework that views learning as universal prediction under log loss, characterized through regret bounds. Central to the framework is an effective notion of architecture-based model complexity, defined…

Machine Learning · Computer Science 2025-11-04 Meir Feder , Ruediger Urbanke , Yaniv Fogel

Reliable models of the thermodynamic properties of materials are critical for industrially relevant applications that require a good understanding of equilibrium phase diagrams, thermal and chemical transport, and microstructure evolution.…

Materials Science · Physics 2018-09-21 Noah H. Paulson , Elise Jennings , Marius Stan

Biological soft tissues exhibit substantial inter-subject variability, making the automation of constitutive material modeling essential for patient-specific analysis and design. Such materials are not only highly nonlinear but also display…

Computational Physics · Physics 2026-04-16 Bahador Bahmani

For substitutional alloys, typically refered to as classical discrete systems under constant composition, we theoretically examine the role of hidden structure information on evolution of nonlinearity (i.e., correspondence between a set of…

Statistical Mechanics · Physics 2022-02-25 Koretaka Yuge

A unified thermodynamic framework for characterization of functional materials is developed. This framework encompasses linear reversible and irreversible processes with thermal, electrical, magnetic, and/or mechanical effects coupled. The…

Materials Science · Physics 2016-10-07 Sushma Santapuri

As large language models (LLMs) are increasingly deployed in high-stakes and operational settings, evaluation strategies based solely on aggregate accuracy are often insucient to characterize system reliability. This study proposes a…

Artificial Intelligence · Computer Science 2026-05-06 Hikmat Karimov , Rahid Zahid Alekberli

Developing clinically viable tissue-engineered cardiovascular implants remains a formidable challenge. Achieving reliable and durable outcomes requires a deeper understanding of the fundamental mechanisms driving tissue evolution during in…

Computational Engineering, Finance, and Science · Computer Science 2025-07-29 Mahmoud Sesa , Hagen Holthusen , Christian Böhm , Stefan Jockenhövel , Stefanie Reese , Kevin Linka

In this study, we demonstrate the generalizability of graph neural networks in predicting the dynamic heterogeneity of model glass-forming liquids across different temperatures. While previous approaches have often been limited to making…

Soft Condensed Matter · Physics 2026-03-17 Hidemasa Bessho , Takeshi Kawasaki , Hayato Shiba

Soft biological tissues exhibit a tendency to maintain a preferred state of tensile stress, known as tensional homeostasis, which is restored even after external mechanical stimuli. This macroscopic behavior can be described using the…

Machine Learning · Computer Science 2025-01-23 Hagen Holthusen , Tim Brepols , Kevin Linka , Ellen Kuhl

Understanding the training dynamics of deep neural networks remains a major open problem, with physics-inspired approaches offering promising insights. Building on this perspective, we develop a thermodynamic framework to describe the…

Machine Learning · Computer Science 2026-05-15 Ildus Sadrtdinov , Ekaterina Lobacheva , Ivan Klimov , Mikhail Burtsev , Mikhail I. Katsnelson , Dmitry Vetrov

Despite an artificial intelligence-assisted modeling of disordered crystals is a widely used and well-tried method of new materials design, the issues of its robustness, reliability, and stability are still not resolved and even not…

Computational Physics · Physics 2024-11-08 Fedor S. Avilov , Roman A. Eremin , Semen A. Budennyy , Innokentiy S. Humonen

We present an approach for the data-driven modeling of nonlinear viscoelastic materials at small strains which is based on physics-augmented neural networks (NNs) and requires only stress and strain paths for training. The model is built on…

Computational Engineering, Finance, and Science · Computer Science 2024-01-26 Max Rosenkranz , Karl A. Kalina , Jörg Brummund , WaiChing Sun , Markus Kästner

Traditional energy-based learning models associate a single energy metric to each configuration of variables involved in the underlying optimization process. Such models associate the lowest energy state to the optimal configuration of…

Machine Learning · Computer Science 2020-04-10 Oindrila Chatterjee , Shantanu Chakrabartty

For multilayer materials in thin substrate systems, interfacial failure is one of the most challenges. The traction-separation relations (TSR) quantitatively describe the mechanical behavior of a material interface undergoing openings,…

Computational Engineering, Finance, and Science · Computer Science 2020-12-01 Jiaxin Zhang , Congjie Wei , Chenglin Wu

The limited extrapolative power of structure-based machine learning (ML) models is a critical bottleneck in chemical discovery, particularly for industrial R&D, where navigating uncharted chemical space to find next-generation materials or…

Commonly used linear and nonlinear constitutive material models in deformation simulation contain many simplifications and only cover a tiny part of possible material behavior. In this work we propose a framework for learning customized…

Graphics · Computer Science 2020-10-27 Bin Wang , Yuanmin Deng , Paul Kry , Uri Ascher , Hui Huang , Baoquan Chen