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Neural operators extend data-driven models to map between infinite-dimensional functional spaces. While these operators perform effectively in either the time or frequency domain, their performance may be limited when applied to…

Machine Learning · Computer Science 2024-06-06 Karn Tiwari , N M Anoop Krishnan , A P Prathosh

Accurately learning solution operators for time-dependent partial differential equations (PDEs) from sparse and irregular data remains a challenging task. Recurrent DeepONet extensions inherit the discrete-time limitations of…

Computational Engineering, Finance, and Science · Computer Science 2025-07-04 Diab W. Abueidda , Mbebo Nonna , Panos Pantidis , Mostafa E. Mobasher

Accurate and efficient solutions of spatiotemporal partial differential equations (PDEs), such as phase-field models, are fundamental for understanding interfacial dynamics and microstructural evolution in materials science and fluid…

Computational Physics · Physics 2026-02-19 Mostafa Bamdad , Mohammad Sadegh Eshaghi , Cosmin Anitescu , Navid Valizadeh , Timon Rabczuk

The free energy of a system is central to many material models. Although free energy data is not generally found directly, its derivatives can be observed or calculated. In this work, we present an Integrable Deep Neural Network (IDNN) that…

Materials Science · Physics 2019-06-26 G. H. Teichert , A. R. Natarajan , A. Van der Ven , K. Garikipati

In scientific and engineering applications, solving partial differential equations (PDEs) across various parameters and domains normally relies on resource-intensive numerical methods. Neural operators based on deep learning offered a…

Numerical Analysis · Mathematics 2024-06-21 Zhiwei Zhao , Changqing Liu , Yingguang Li , Zhibin Chen , Xu Liu

Inverse microstructure design plays a central role in materials discovery, yet remains challenging due to the complexity of structure-property linkages and the scarcity of labeled training data. We propose Design-GenNO, a physics-informed…

Mathematical Physics · Physics 2025-09-11 Yaohua Zang , Phaedon-Stelios Koutsourelakis

Topologically interlocking architectures can generate tough ceramics with attractive thermo-mechanical properties. This concept can make the material design pathway a challenging task, since modeling the whole design space is neither…

Computational Engineering, Finance, and Science · Computer Science 2023-05-22 Elham Kiyani , Hamidreza Yazdani Sarvestani , Hossein Ravanbakhsh , Razyeh Behbahani , Behnam Ashrafi , Meysam Rahmat , Mikko Karttunen

This work explores the application of deep operator learning principles to a problem in statistical physics. Specifically, we consider the linear kinetic equation, consisting of a differential advection operator and an integral collision…

Numerical Analysis · Mathematics 2024-02-27 Jae Yong Lee , Steffen Schotthöfer , Tianbai Xiao , Sebastian Krumscheid , Martin Frank

Within first-principles density functional theory (DFT) frameworks, accurate but fast prediction of electronic structures of nanoparticles (NPs) remains challenging. Herein, we propose a machine-learning architecture to rapidly but…

Materials Science · Physics 2020-07-22 Kihoon Bang , Byung Chul Yeo , Donghun Kim , Sang Soo Han , Hyuck Mo Lee

Learning accurate and stable time-advancement operators for nonlinear partial differential equations (PDEs) remains challenging, particularly for chaotic, stiff, and long-horizon dynamical systems. While neural operator methods such as the…

Machine Learning · Computer Science 2025-12-23 Rixin Yu

Accurate knowledge of acoustic surface admittance or impedance is essential for reliable wave-based simulations, yet its in situ estimation remains challenging due to noise, model inaccuracies, and restrictive assumptions of conventional…

Machine Learning · Computer Science 2026-04-10 Jonas M. Schmid , Johannes D. Schmid , Martin Eser , Steffen Marburg

Nonlinear model predictive control (MPC) is a flexible and increasingly popular framework used to synthesize feedback control strategies that can satisfy both state and control input constraints. In this framework, an optimization problem,…

Systems and Control · Electrical Eng. & Systems 2023-05-17 Kong Yao Chee , M. Ani Hsieh , Nikolai Matni

A fundamental issue in multiscale materials modeling and design is the consideration of traction-separation behavior at the interface. By enriching the deep material network (DMN) with cohesive layers, the paper presents a novel data-driven…

Materials Science · Physics 2020-02-19 Zeliang Liu

Data-driven models for predicting dynamic responses of linear and nonlinear systems are of great importance due to their wide application from probabilistic analysis to inverse problems such as system identification and damage diagnosis. In…

Machine Learning · Computer Science 2020-12-29 Soheil Sadeghi Eshkevari , Martin Takáč , Shamim N. Pakzad , Majid Jahani

We introduce the Laplace neural operator (LNO), which leverages the Laplace transform to decompose the input space. Unlike the Fourier Neural Operator (FNO), LNO can handle non-periodic signals, account for transient responses, and exhibit…

Machine Learning · Computer Science 2023-05-31 Qianying Cao , Somdatta Goswami , George Em Karniadakis

Density functional theory (DFT) is a cornerstone of computational chemistry and materials science, but its computational cost limits its use in large-scale and high-throughput applications. While machine learning has accelerated energy…

Chemical Physics · Physics 2026-03-18 Yingdi Jin , Xinming Qin , Ruichen Liu , Jie Liu , Zhenyu Li , Jinlong Yang

With the development of digital twins and smart manufacturing systems, there is an urgent need for real-time distortion field prediction to control defects in metal Additive Manufacturing (AM). However, numerical simulation methods suffer…

Machine Learning · Computer Science 2025-11-18 Mingxuan Tian , Haochen Mu , Donghong Ding , Mengjiao Li , Yuhan Ding , Jianping Zhao

Fourier Neural Operator (FNO) is a powerful and popular operator learning method. However, FNO is mainly used in forward prediction, yet a great many applications rely on solving inverse problems. In this paper, we propose an invertible…

Machine Learning · Computer Science 2025-05-07 Da Long , Zhitong Xu , Qiwei Yuan , Yin Yang , Shandian Zhe

Burn injuries present a significant global health challenge. Among the most severe long-term consequences are contractures, which can lead to functional impairments and disfigurement. Understanding and predicting the evolution of post-burn…

Numerical Analysis · Mathematics 2024-11-25 Selma Husanovic , Ginger Egberts , Alexander Heinlein , Fred Vermolen

Learning PDE dynamics from limited data with unknown physics is challenging. Existing neural PDE solvers either require large datasets or rely on known physics (e.g., PDE residuals or handcrafted stencils), leading to limited applicability.…

Machine Learning · Computer Science 2026-05-25 Han Wan , Rui Zhang , Hao Sun
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