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Sensitivity analysis with forced optimally time dependent (f-OTD) modes is introduced and its application for skeletal model reduction is demonstrated. f-OTD expands the sensitivity coefficient matrix into a lowdimensional, time dependent,…

Chemical Physics · Physics 2021-03-17 A. G. Nouri , H. Babaee , P. Givi , H. K. Chelliah , D. Livescu

Inverse design coupled with adjoint optimization is a powerful method to design on-chip nanophotonic devices with multi-wavelength and multi-mode optical functionalities. Although only two simulations are required in each iteration of this…

Applied Physics · Physics 2023-07-12 Ahmet Onur Dasdemir , Victor Minden , Emir Salih Magden

Solving partial differential equations (PDEs) numerically often requires huge computing time, energy cost, and hardware resources in practical applications. This has limited their applications in many scenarios (e.g., autonomous systems,…

Machine Learning · Computer Science 2024-01-05 Yequan Zhao , Xian Xiao , Xinling Yu , Ziyue Liu , Zhixiong Chen , Geza Kurczveil , Raymond G. Beausoleil , Zheng Zhang

Inverse design has greatly expanded nanophotonic devices and brought optimized performance. However, the use of inverse design for plasmonic structures has been challenging due to local field concentrations that can lead to errors in…

Computational Physics · Physics 2020-12-14 Zhou Zeng , Xianfan Xu

Fluorescence microscopy is essential to study biological structures and dynamics. However, existing systems suffer from a tradeoff between field-of-view (FOV), resolution, and complexity, and thus cannot fulfill the emerging need of…

Optics · Physics 2022-09-09 Yujia Xue , Qianwan Yang , Guorong Hu , Kehan Guo , Lei Tian

Efficient and fast predictor-corrector methods are proposed to deal with nonlinear Caputo-Fabrizio fractional differential equations, where Caputo-Fabrizio operator is a new proposed fractional derivative with a smooth kernel. The proposed…

Numerical Analysis · Mathematics 2020-10-07 Seyeon Lee , Junseo Lee , Hyunju Kim , Bongsoo Jang

Partial differential equations (PDEs) underpin the modeling of many natural and engineered systems. It can be convenient to express such models as neural PDEs rather than using traditional numerical PDE solvers by replacing part or all of…

Machine Learning · Computer Science 2025-09-26 Sanket Jantre , Deepak Akhare , Zhiyuan Wang , Xiaoning Qian , Nathan M. Urban

This paper presents a novel methodology for fast simulation and analysis of transient heat transfer. The proposed methodology is suitable for real-time applications owing to (i) establishing the solution method from the viewpoint of…

Computational Engineering, Finance, and Science · Computer Science 2021-12-30 Jinao Zhang , Sunita Chauhan

Ultra-fast electronic phenomena originating from finite temperature, such as nonlinear optical excitation, can be simulated with high fidelity via real-time time dependent density functional theory (rt-TDDFT) calculations with hybrid…

Materials Science · Physics 2025-01-07 Rongrong Liu , Zhuoqiang Guo , Qiuchen Sha , Tong Zhao , Haibo Li , Wei Hu , Lijun Liu , Guangming Tan , Weile Jia

We introduce a method that combines neural operators, physics-informed machine learning, and standard numerical methods for solving PDEs. The proposed approach extends each of the aforementioned methods and unifies them within a single…

Computational Engineering, Finance, and Science · Computer Science 2025-12-02 Shahed Rezaei , Reza Najian Asl , Kianoosh Taghikhani , Ahmad Moeineddin , Michael Kaliske , Markus Apel

Time-dependent density functional theory (TDDFT) is a widely used method to investigate electron dynamics under various external perturbations such as laser fields. In this work, we present a novel approach to accelerate real time TDDFT…

Materials Science · Physics 2024-07-29 Karan Shah , Attila Cangi

Physics-Informed Neural Networks (PINNs) solve physical systems by incorporating governing partial differential equations directly into neural network training. In electromagnetism, where well-established methodologies such as FDTD and FEM…

Computational Physics · Physics 2026-02-13 Nilufer K. Bulut

The traditional finite-difference time-domain (FDTD) method is constrained by the Courant-Friedrich-Levy (CFL) condition and suffers from the notorious staircase error in electromagnetic simulations. This paper proposes a three-dimensional…

Computational Engineering, Finance, and Science · Computer Science 2021-12-08 Hanhong Liu , Xiaoying Zhao , Xiang-Hua Wang , Shunchuan Yang , Zhizhang , Chen

Computational Fluid Dynamics (CFD) simulations are essential for analyzing and optimizing fluid flows in a wide range of real-world applications. These simulations involve approximating the solutions of the Navier-Stokes differential…

The rapid development of AI highlights the pressing need for sustainable energy, a critical global challenge for decades. Nuclear fusion, generally seen as an ultimate solution, has been the focus of intensive research for nearly a century,…

This paper proposes physical-based, reduced-order electrochemical models that are much faster than the electrochemical pseudo 2D (P2D) model, while providing high accuracy even under the challenging conditions of high C-rate and strong…

Chemical Physics · Physics 2023-05-30 Tianhan Gao , Wei Lu

This paper addresses the problem of planning under uncertainty in large Markov Decision Processes (MDPs). Factored MDPs represent a complex state space using state variables and the transition model using a dynamic Bayesian network. This…

Artificial Intelligence · Computer Science 2011-06-10 C. Guestrin , D. Koller , R. Parr , S. Venkataraman

Accurate estimation of the State of Charge (SOC) is critical for ensuring the safety, reliability, and performance optimization of lithium-ion battery systems. Conventional data-driven neural network models often struggle to fully…

Machine Learning · Computer Science 2025-12-16 Lujuan Dang , Zilai Wang

Ultrasound Computed Tomography (USCT) constitutes a nonlinear inverse problem with inherent ill-posedness that can benefit from regularization through diffusion generative priors. However, traditional approaches for solving Helmholtz…

Numerical Analysis · Mathematics 2026-05-13 Xiang Cao , Qiaoqiao Ding , Xinliang Liu , Lei Zhang , Xiaoqun Zhang

Quasi-2D Coulomb systems are of fundamental importance and have attracted much attention in many areas nowadays. Their reduced symmetry gives rise to interesting collective behaviors, but also brings great challenges for particle-based…

Numerical Analysis · Mathematics 2025-02-05 Zecheng Gan , Xuanzhao Gao , Jiuyang Liang , Zhenli Xu