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Machine learning has revolutionized the high-dimensional representations for molecular properties such as potential energy. However, there are scarce machine learning models targeting tensorial properties, which are rotationally covariant.…

Chemical Physics · Physics 2020-08-11 Yaolong Zhang , Sheng Ye , Jinxiao Zhang , Ce Hu , Jun Jiang , Bin Jiang

We develop a new neural network architecture that strictly enforces constitutive constraints such as polyconvexity, frame-indifference, and the symmetry of the stress and material stiffness. Additionally, we show that the accuracy of the…

Biological Physics · Physics 2024-12-05 Nishan Parvez , Jacob S. Merson

Machine learning models can be used to predict physical quantities like homogenized elasticity stiffness tensors, which must always be symmetric positive definite (SPD) based on conservation arguments. Two datasets of homogenized elasticity…

Machine Learning · Computer Science 2022-03-29 Charles F. Jekel , Kenneth E. Swartz , Daniel A. White , Daniel A. Tortorelli , Seth E. Watts

Spatial symmetries and invariances play an important role in the behaviour of materials and should be respected in the description and modelling of material properties. The focus here is the class of physically symmetric and positive…

Numerical Analysis · Mathematics 2024-02-12 Sharana Kumar Shivanand , Bojana Rosić , Hermann G. Matthies

Plastic anisotropy in metals remains challenging to model. This is partly because conventional phenomenological yield criteria struggle to combine a highly descriptive, flexible representation with constraints, such as convexity, dictated…

Computational Engineering, Finance, and Science · Computer Science 2025-08-25 Asghar A. Jadoon , Ravi G. Patel , Brian N. Granzow , Reese E. Jones , D. Thomas Seidl , Jan N. Fuhg

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

Establishing correspondence between shapes is a fundamental problem in geometry processing, arising in a wide variety of applications. The problem is especially difficult in the setting of non-isometric deformations, as well as in the…

Computer Vision and Pattern Recognition · Computer Science 2016-05-23 Davide Boscaini , Jonathan Masci , Emanuele Rodolà , Michael M. Bronstein

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

Constitutive models play a crucial role in materials science as they describe the behavior of the materials in mathematical forms. Over the last few decades, the rapid development of manufacturing technologies have led to the discovery of…

Materials Science · Physics 2024-10-17 Xinxin Wu , Yin Zhang , Sheng Mao

Effective thermal conductivity is an important property of composites for different thermal management applications. Although physics-based methods, such as effective medium theory and solving partial differential equation, dominate the…

Computational Physics · Physics 2019-04-15 Qingyuan Rong , Han Wei , Hua Bao

The representation theory of tensor functions is essential to constitutive modeling of materials including both mechanical and physical behaviors. Generally, material symmetry is incorporated in the tensor functions through a structural or…

Representation Theory · Mathematics 2025-09-12 Mohammad Madadi , Lin Cheng , Pu Zhang

Connectomics has emerged as a powerful tool in neuroimaging and has spurred recent advancements in statistical and machine learning methods for connectivity data. Despite connectomes inhabiting a matrix manifold, most analytical frameworks…

Quantitative Methods · Quantitative Biology 2023-03-28 Niharika S. D'Souza , Archana Venkataraman

We present a novel framework for the probabilistic modelling of random fourth order material tensor fields, with a focus on tensors that are physically symmetric and positive definite (SPD), of which the elasticity tensor is a prime…

Computational Engineering, Finance, and Science · Computer Science 2025-04-03 Sharana Kumar Shivanand , Bojana Rosić , Hermann G. Matthies

We propose tensorial neural networks (TNNs), a generalization of existing neural networks by extending tensor operations on low order operands to those on high order ones. The problem of parameter learning is challenging, as it corresponds…

Machine Learning · Statistics 2018-12-11 Jiahao Su , Jingling Li , Bobby Bhattacharjee , Furong Huang

Developing robust constitutive models is a fundamental and longstanding problem for accelerating the simulation of complicated physics. Machine learning provides promising tools to construct constitutive models based on various calibration…

Fluid Dynamics · Physics 2023-06-28 Jiequn Han , Xu-Hui Zhou , Heng Xiao

Data-driven constitutive modeling is an emerging field in computational solid mechanics with the prospect of significantly relieving the computational costs of hierarchical computational methods. Traditionally, these surrogates have been…

Computational Engineering, Finance, and Science · Computer Science 2022-04-20 Jan Niklas Fuhg , Nikolaos Bouklas

We present the Cholesky-factored symmetric positive definite neural network (SPD-NN) for modeling constitutive relations in dynamical equations. Instead of directly predicting the stress, the SPD-NN trains a neural network to predict the…

Numerical Analysis · Mathematics 2021-02-03 Kailai Xu , Daniel Z. Huang , Eric Darve

Divergence-free symmetric tensors (DFSTs) are fundamental in continuum mechanics, encoding conservation laws such as mass and momentum conservation. We introduce Riemann Tensor Neural Networks (RTNNs), a novel neural architecture that…

Machine Learning · Computer Science 2025-06-17 Anas Jnini , Lorenzo Breschi , Flavio Vella

The mathematical formulation of constitutive models to describe the path-dependent, i.e., inelastic, behavior of materials is a challenging task and has been a focus in mechanics research for several decades. There have been increased…

Computational Engineering, Finance, and Science · Computer Science 2023-09-06 Max Rosenkranz , Karl A. Kalina , Jörg Brummund , Markus Kästner

We present a data-driven framework for the multiscale modeling of anisotropic finite strain elasticity based on physics-augmented neural networks (PANNs). Our approach allows the efficient simulation of materials with complex underlying…

Computational Engineering, Finance, and Science · Computer Science 2024-10-07 Karl A. Kalina , Jörg Brummund , WaiChing Sun , Markus Kästner
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