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Microstructural evolution, particularly grain growth, plays a critical role in shaping the physical, optical, and electronic properties of materials. Traditional phase-field modeling accurately simulates these phenomena but is…

Materials Science · Physics 2026-04-15 Iman Peivaste , Ahmed Makradi , Salim Belouettar

Energy evaluation using fast Fourier transforms enables sampling billions of putative complex structures and hence revolutionized rigid protein-protein docking. However, in current methods efficient acceleration is achieved only in either…

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

Neural operators learn mappings between function spaces, which is practical for learning solution operators of PDEs and other scientific modeling applications. Among them, the Fourier neural operator (FNO) is a popular architecture that…

Machine Learning · Computer Science 2024-06-11 Miguel Liu-Schiaffini , Julius Berner , Boris Bonev , Thorsten Kurth , Kamyar Azizzadenesheli , Anima Anandkumar

In this paper, we revisit the use of spectrograms in neural networks, by making the window length a continuous parameter optimizable by gradient descent instead of an empirically tuned integer-valued hyperparameter. The contribution is…

Machine Learning · Computer Science 2022-08-26 Maxime Leiber , Axel Barrau , Yosra Marnissi , Dany Abboud

We describe a simple method for unsupervised domain adaptation, whereby the discrepancy between the source and target distributions is reduced by swapping the low-frequency spectrum of one with the other. We illustrate the method in…

Computer Vision and Pattern Recognition · Computer Science 2020-04-14 Yanchao Yang , Stefano Soatto

Neural ODEs (NODEs) have emerged as powerful tools for modeling time series data, offering the flexibility to adapt to varying input scales and capture complex dynamics. However, they face significant challenges: first, their reliance on…

Machine Learning · Computer Science 2025-10-07 Muhao Guo , Yang Weng

Fourier Neural Operators (FNOs) offer a principled approach for solving complex partial differential equations (PDEs). However, scaling them to handle more complex PDEs requires increasing the number of Fourier modes, which significantly…

Machine Learning · Computer Science 2025-06-25 Shanda Li , Shinjae Yoo , Yiming Yang

Improving the generalization ability of Deep Neural Networks (DNNs) is critical for their practical uses, which has been a longstanding challenge. Some theoretical studies have uncovered that DNNs have preferences for some frequency…

Computer Vision and Pattern Recognition · Computer Science 2023-03-28 Shiqi Lin , Zhizheng Zhang , Zhipeng Huang , Yan Lu , Cuiling Lan , Peng Chu , Quanzeng You , Jiang Wang , Zicheng Liu , Amey Parulkar , Viraj Navkal , Zhibo Chen

Foundation models have achieved tremendous success in different domains. However, their huge computation and storage complexity make these models difficult to fine-tune and also less applicable in practice. Recent study shows training in…

Machine Learning · Computer Science 2025-07-16 Xinyu Ding , Lexuan Chen , Siyu Liao , Zhongfeng Wang

We present approximation theories and efficient training methods for derivative-informed Fourier neural operators (DIFNOs) with applications to PDE-constrained optimization. A DIFNO is an FNO trained by minimizing its prediction error…

Machine Learning · Computer Science 2026-03-17 Boyuan Yao , Dingcheng Luo , Lianghao Cao , Nikola Kovachki , Thomas O'Leary-Roseberry , Omar Ghattas

The fractional Fourier transform (FrFT), a fundamental operation in physics that corresponds to a rotation of phase space by any angle, is also an indispensable tool employed in digital signal processing for noise reduction. Processing of…

Deep Operator Networks (DeepONets) have recently emerged as powerful data-driven frameworks for learning nonlinear operators, particularly suited for approximating solutions to partial differential equations. Despite their promising…

Machine Learning · Computer Science 2026-04-21 Arth Sojitra , Mrigank Dhingra , Omer San

This work illustrates the possibility to apply the Fast Fourier Transformation to obtain the integrals of the Boundary Element Method (BEM) on arbitrary shapes. The procedure is inspired by the technique used with great success within the…

Computational Physics · Physics 2018-09-05 Justus Benad

Magnetotelluric (MT) forward modeling is fundamental for improving the accuracy and efficiency of MT inversion. Neural operators (NOs) have been effectively used for rapid MT forward modeling, demonstrating their promising performance in…

Geophysics · Physics 2025-07-10 Feng Wang , Hong Qiu , Yingying Huang , Xiaozhe Gu , Renfang Wang , Bo Yang

Efficient and accurate time-domain simulation of electromagnetic fields in complex photonic devices is critical for designing broadband and ultrafast optical components, yet it is often limited by the high computational cost of conventional…

Optics · Physics 2026-02-05 Zaifan Wu , Yue You , Xian Zhou , Fan Zhang

The Boltzmann equation, a fundamental model in kinetic theory, describes the evolution of particle distribution functions through a nonlinear, high-dimensional collision operator. However, its numerical solution remains computationally…

Machine Learning · Computer Science 2026-03-09 Jae Yong Lee , Gwang Jae Jung , Byung Chan Lim , Hyung Ju Hwang

Solving partial differential equations (PDEs) by neural networks as well as Kolmogorov-Arnold Networks (KANs), including physics-informed neural networks (PINNs), physics-informed KANs (PIKANs), and neural operators, are known to exhibit…

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

Vision transformers have delivered tremendous success in representation learning. This is primarily due to effective token mixing through self attention. However, this scales quadratically with the number of pixels, which becomes infeasible…

Computer Vision and Pattern Recognition · Computer Science 2022-03-29 John Guibas , Morteza Mardani , Zongyi Li , Andrew Tao , Anima Anandkumar , Bryan Catanzaro