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A key challenge in material theory is the formulation of models that satisfy all common mechanical constitutive conditions while retaining sufficient flexibility. In this context, several important modeling aspects remain unresolved for…

Computational Engineering, Finance, and Science · Computer Science 2026-05-27 Dominik K. Klein , Karl A. Kalina , Rogelio Ortigosa , Jesús Martínez-Frutos , Markus Kästner , Oliver Weeger

Discovering governing equations of complex network dynamics is a fundamental challenge in contemporary science with rich data, which can uncover the mysterious patterns and mechanisms of the formation and evolution of complex phenomena in…

Artificial Intelligence · Computer Science 2024-11-12 Jiao Hu , Jiaxu Cui , Bo Yang

Estimating the parameters of a model describing a set of observations using a neural network is in general solved in a supervised way. In cases when we do not have access to the model's true parameters this approach can not be applied.…

Astrophysics of Galaxies · Physics 2020-09-30 Miguel A. Aragon-Calvo

We propose a data-driven constitutive framework for anisotropic damage mechanics based on the second-order damage tensor approach for both compressible and incompressible materials. The formulation is thermodynamically consistent and…

Applied Physics · Physics 2025-08-11 Amirhossein Amiri-Hezaveh , Adrian Buganza Tepole

We propose a framework for the completely unsupervised learning of latent object properties from their interactions: the perception-prediction network (PPN). Consisting of a perception module that extracts representations of latent object…

Machine Learning · Computer Science 2018-07-27 David Zheng , Vinson Luo , Jiajun Wu , Joshua B. Tenenbaum

Traditional computational methods, such as the finite element analysis, have provided valuable insights into uncovering the underlying mechanisms of brain physical behaviors. However, precise predictions of brain physics require effective…

Machine Learning · Computer Science 2023-10-18 Jixin Hou , Nicholas Filla , Xianyan Chen , Mir Jalil Razavi , Tianming Liu , Xianqiao Wang

Robust machine learning models with accurately calibrated uncertainties are crucial for safety-critical applications. Probabilistic machine learning and especially the Bayesian formalism provide a systematic framework to incorporate…

Machine Learning · Computer Science 2022-10-11 Sumegha Premchandar , Sandeep Madireddy , Sanket Jantre , Prasanna Balaprakash

Accurate models are essential for design, performance prediction, control, and diagnostics in complex engineering systems. Physics-based models excel during the design phase but often become outdated during system deployment due to changing…

Machine Learning · Computer Science 2025-01-22 Zihan Liu , Prashant N. Kambali , C. Nataraj

Recent advances in artificial intelligence have propelled the development of innovative computational materials modeling and design techniques. Generative deep learning models have been used for molecular representation, discovery, and…

Chemical Physics · Physics 2021-02-12 Navid Shervani-Tabar , Nicholas Zabaras

In solid mechanics, Data-driven approaches are widely considered as the new paradigm that can overcome the classic problems of constitutive models such as limiting hypothesis, complexity, and high dependence on training data. However,…

Soft Condensed Matter · Physics 2020-11-23 Aref Ghaderi , Vahid Morovati , Roozbeh Dargazany

Nonlinear materials are often difficult to model with classical state model theory because they have a complex and sometimes inaccurate physical and mathematical description or we simply do not know how to describe such materials in terms…

Machine Learning · Computer Science 2023-08-09 Javier Orera-Echeverria , Jacobo Ayensa-Jiménez , Manuel Doblare

In this work, we present a general purpose deep neural network package for representing energies, forces, dipole moments, and polarizabilities of atomistic systems. This so-called recursively embedded atom neural network model takes both…

Chemical Physics · Physics 2022-04-06 Yaolong Zhang , Junfan Xia , Bin Jiang

Understanding how explicit theoretical features are encoded in opaque neural systems is a central challenge now common to neuroscience and AI. We introduce Metric Learning Encoding Models (MLEMs) to address this challenge most directly as a…

Computation and Language · Computer Science 2025-11-17 Louis Jalouzot , Christophe Pallier , Emmanuel Chemla , Yair Lakretz

Scalable and generalizable physics-aware deep learning has long been considered a significant challenge with various applications across diverse domains ranging from robotics to molecular dynamics. Central to almost all physical systems are…

Machine Learning · Computer Science 2026-02-04 Pranav Vaidhyanathan , Aristotelis Papatheodorou , Mark T. Mitchison , Natalia Ares , Ioannis Havoutis

Large and diverse datasets have been the cornerstones of many impressive advancements in artificial intelligence. Intelligent creatures, however, learn by interacting with the environment, which changes the input sensory signals and the…

Machine Learning · Computer Science 2022-10-25 Hao Liu , Tom Zahavy , Volodymyr Mnih , Satinder Singh

Polygon representation learning is essential for diverse applications, encompassing tasks such as shape coding, building pattern classification, and geographic question answering. While recent years have seen considerable advancements in…

Computer Vision and Pattern Recognition · Computer Science 2025-04-10 Dazhou Yu , Yuntong Hu , Yun Li , Liang Zhao

As a nonlocal extension of continuum mechanics, peridynamics has been widely and effectively applied in different fields where discontinuities in the field variables arise from an initially continuous body. An important component of the…

Numerical Analysis · Mathematics 2021-09-22 Xiao Xu , Marta D'Elia , John T. Foster

Molecular property prediction is essential for drug discovery. In recent years, deep learning methods have been introduced to this area and achieved state-of-the-art performances. However, most of existing methods ignore the intrinsic…

Biomolecules · Quantitative Biology 2022-11-04 Yuancheng Sun , Yimeng Chen , Weizhi Ma , Wenhao Huang , Kang Liu , Zhiming Ma , Wei-Ying Ma , Yanyan Lan

Deep learning models often suffer from a lack of interpretability due to polysemanticity, where individual neurons are activated by multiple unrelated semantics, resulting in unclear attributions of model behavior. Recent advances in…

Machine Learning · Computer Science 2024-10-30 Qi Zhang , Yifei Wang , Jingyi Cui , Xiang Pan , Qi Lei , Stefanie Jegelka , Yisen Wang

Physical motion models offer interpretable predictions for the motion of vehicles. However, some model parameters, such as those related to aero- and hydrodynamics, are expensive to measure and are often only roughly approximated reducing…

Machine Learning · Computer Science 2024-10-28 Alexandra Baier , Zeyd Boukhers , Steffen Staab