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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…

机器学习 · 计算机科学 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…

计算工程、金融与科学 · 计算机科学 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…

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…

材料科学 · 物理学 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…

数值分析 · 数学 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…

数学物理 · 物理学 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…

计算工程、金融与科学 · 计算机科学 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…

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…

材料科学 · 物理学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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,…

系统与控制 · 电气工程与系统科学 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…

材料科学 · 物理学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

化学物理 · 物理学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

数值分析 · 数学 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.…

机器学习 · 计算机科学 2026-05-25 Han Wan , Rui Zhang , Hao Sun