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Partial-differential-equation (PDE)-constrained optimization is a well-worn technique for acquiring optimal parameters of systems governed by PDEs. However, this approach is limited to providing a single set of optimal parameters per…

Computational Physics · Physics 2024-10-17 Archis S. Joglekar

Semi-empirical quantum chemistry has recently seen a renaissance with applications in high-throughput virtual screening and machine learning. The simplest semi-empirical model still in widespread use in chemistry is H\"uckel's…

Chemical Physics · Physics 2024-11-08 R. A. Vargas-Hernández , K. Jorner , R. Pollice , A. Aspuru-Guzik

We consider the space-time boundary element method (BEM) for the heat equation with prescribed initial and Dirichlet data. We propose a residual-type a posteriori error estimator that is a lower bound and, up to weighted $L_2$-norms of the…

Numerical Analysis · Mathematics 2022-01-11 Gregor Gantner , Raymond van Venetië

Physics-informed neural networks (PINNs) are capable of finding the solution for a given boundary value problem. We employ several ideas from the finite element method (FEM) to enhance the performance of existing PINNs in engineering…

Computational Engineering, Finance, and Science · Computer Science 2022-10-05 Shahed Rezaei , Ali Harandi , Ahmad Moeineddin , Bai-Xiang Xu , Stefanie Reese

A gradient-based method for shape optimization problems constrained by the acoustic wave equation is presented. The method makes use of high-order accurate finite differences with summation-by-parts properties on multiblock curvilinear…

Numerical Analysis · Mathematics 2024-05-09 Gustav Eriksson , Vidar Stiernström

To solve large-scale or high-resolution topology optimization problem, a novel algorithm is developed based on modified bi-directional evolutionary structure optimization (BESO) and extended finite element method (XFEM). Within XFEM, a set…

Applied Physics · Physics 2026-04-07 Hongxin Wang , Jie Liu , Guilin Wen

The isogeometric formulation of Boundary Element Method (BEM) is investigated within the adaptivity framework. Suitable weighted quadrature rules to evaluate integrals appearing in the Galerkin BEM formulation of 2D Laplace model problems…

Numerical Analysis · Mathematics 2022-05-06 Antonella Falini , Carlotta Giannelli , Tadej Kanduc , Maria Lucia Sampoli , Alessandra Sestini

We propose the use of automatic differentiation through the programming framework jax for accelerating a variety of analysis tasks throughout gravitational wave (GW) science. Firstly, we demonstrate that complete waveforms which cover the…

Instrumentation and Methods for Astrophysics · Physics 2023-02-13 Thomas D. P. Edwards , Kaze W. K. Wong , Kelvin K. H. Lam , Adam Coogan , Daniel Foreman-Mackey , Maximiliano Isi , Aaron Zimmerman

Isogeometric analysis with the boundary element method (IGABEM) has recently gained interest. In this paper, the approximability of IGABEM on 3D acoustic scattering problems will be investigated and a new improved BeTSSi submarine will be…

Numerical Analysis · Mathematics 2022-04-21 Jon Vegard Venås , Trond Kvamsdal

The surface Boundary Element Method (BEM) is one of the most commonly employed formulations to solve the forward problem in electroencephalography, but the applicability of its classical incarnations is lamentably limited to piece-wise…

Image and Video Processing · Electrical Eng. & Systems 2020-04-27 Maxime Y. Monin , Lyes Rahmouni , Francesco P. Andriulli

The homogeneous wave equation is solved by a time-domain boundary element method (BEM) using low-order shape functions for spatial, and the generalised convolution quadrature method (gCQ) by Lopez-Fernandez and Sauter for temporal…

Numerical Analysis · Mathematics 2026-03-26 Martin Schanz , Vibudha Lakshmi Keshava , Herbert de Gersem

Previous acoustic transfer methods rely on extensive precomputation and storage of data to enable real-time interaction and auditory feedback. However, these methods struggle with complex scenes, especially when dynamic changes in object…

Sound · Computer Science 2025-08-13 Xutong Jin , Bo Pang , Chenxi Xu , Xinyun Hou , Guoping Wang , Sheng Li

In this paper, we study a numerical method for the solution of partial differential equations on evolving surfaces. The numerical method is built on the stabilized trace finite element method (TraceFEM) for the spatial discretization and…

Numerical Analysis · Mathematics 2018-03-23 Christoph Lehrenfeld , Maxim A. Olshanskii , Xianmin Xu

This paper introduces JAX-BTE, a GPU-accelerated, differentiable solver for the phonon Boltzmann Transport Equation (BTE) based on differentiable programming. JAX-BTE enables accurate, efficient and differentiable multiscale thermal…

Computational Physics · Physics 2025-04-02 Wenjie Shang , Jiahang Zhou , J. P. Panda , Zhihao Xu , Yi Liu , Pan Du , Jian-Xun Wang , Tengfei Luo

We propose a Pretrained Finite Element Method (PFEM),a physics driven framework that bridges the efficiency of neural operator learning with the accuracy and robustness of classical finite element methods (FEM). PFEM consists of a physics…

An artificial intelligence-augmented Streamline Upwind/Petrov-Galerkin finite element scheme (AiStab-FEM) is proposed for solving singularly perturbed partial differential equations. In particular, an artificial neural network framework is…

Analysis of PDEs · Mathematics 2022-11-28 Sangeeta Yadav , Sashikumaar Ganesan

Simulation and modeling are essential in product development, integrated into the design and manufacturing process to enhance efficiency and quality. They are typically represented as complex nonlinear differential algebraic equations. The…

Machine Learning · Computer Science 2026-03-25 Wenqiang Yang , Wenyuan Wu , Yong Feng , Changbo Chen

Acoustic wave propagation through a homogeneous material embedded in an unbounded medium can be formulated as a boundary integral equation and accurately solved with the boundary element method. The computational efficiency deteriorates at…

Numerical Analysis · Mathematics 2024-02-21 Elwin van 't Wout

We develop a machine-learning framework to learn hyperparameter sequences for accelerated first-order methods (e.g., the step size and momentum sequences in accelerated gradient descent) to quickly solve parametric convex optimization…

Optimization and Control · Mathematics 2025-10-07 Rajiv Sambharya , Jinho Bok , Nikolai Matni , George Pappas

Optimization of beamlines and lattices is a common problem in accelerator physics, which is usually solved with semi-analytical methods and numerical optimization routines. However, these are usually of the gradient-free or…

Accelerator Physics · Physics 2025-07-14 Francisco Huhn , Francesco M. Velotti