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Modeling complex systems using standard neural ordinary differential equations (NODEs) often faces some essential challenges, including high computational costs and susceptibility to local optima. To address these challenges, we propose a…

Machine Learning · Computer Science 2024-05-24 Xin Li , Jingdong Zhang , Qunxi Zhu , Chengli Zhao , Xue Zhang , Xiaojun Duan , Wei Lin

In simulation sciences, it is desirable to capture the real-world problem features as accurately as possible. Methods popular for scientific simulations such as the finite element method (FEM) and finite volume method (FVM) use piecewise…

Numerical Analysis · Mathematics 2023-07-18 Vidhi Zala , Akil Narayan , Robert M Kirby

We propose two deep learning models that fully automate shape parameterization for aerodynamic shape optimization. Both models are optimized to parameterize via deep geometric learning to embed human prior knowledge into learned geometric…

Computer Vision and Pattern Recognition · Computer Science 2023-05-04 Zhen Wei , Pascal Fua , Michaël Bauerheim

Differentiable optimization layers enable learning systems to make decisions by solving embedded optimization problems. However, computing gradients via implicit differentiation requires solving a linear system with Hessian terms, which is…

Machine Learning · Computer Science 2025-12-03 Zihao Zhao , Kai-Chia Mo , Shing-Hei Ho , Brandon Amos , Kai Wang

A unified method for extracting geometric shape features from binary image data using a steady state partial differential equation (PDE) system as a boundary value problem is presented in this paper. The PDE and functions are formulated to…

Computer Vision and Pattern Recognition · Computer Science 2019-04-17 Takayuki Yamada

Two types of second-order in time partial differential equations (PDEs), namely semilinear wave equations and semilinear beam equations are considered. To solve these equations with exponential integrators, we present an approach to compute…

Numerical Analysis · Mathematics 2022-10-13 Alexander Ostermann , Duy Phan

Irksome is a library based on the Unified Form Language (UFL) that automates the application of Runge-Kutta time-stepping methods for finite element spatial discretizations of partial differential equations (PDEs). This paper describes…

Numerical Analysis · Mathematics 2025-08-29 Robert C. Kirby , Scott P. MacLachlan , Pablo D. Brubeck

The inverse conductivity problem aims at determining the unknown conductivity inside a bounded domain from boundary measurements. In practical applications, algorithms based on minimizing a regularized residual functional subject to PDE…

Numerical Analysis · Mathematics 2025-10-02 Lefu Cai , Zhixin Liu , Minghui Song , Xianchao Wang

The computation of first and second-order derivatives is a staple in many computing applications, ranging from machine learning to scientific computing. We propose an algorithm to automatically differentiate algorithms written in a subset…

Mathematical Software · Computer Science 2022-02-04 Deshana Desai , Etai Shuchatowitz , Zhongshi Jiang , Teseo Schneider , Daniele Panozzo

We present an algorithm for generating all derivative superstructures--for arbitrary parent structures and for any number of atom types. This algorithm enumerates superlattices and atomic configurations in a geometry-independent way. The…

Materials Science · Physics 2014-12-18 Gus L. W. Hart , Rodney W. Forcade

The generation of optimal trajectories for high-dimensional robotic systems under constraints remains computationally challenging due to the need to simultaneously satisfy dynamic feasibility, input limits, and task-specific objectives…

We propose a simple recursive algorithm that allows the computation of the first- and second-order derivatives with respect to the inputs of an arbitrary deep feed forward neural network (DFNN). The algorithm naturally incorporates the…

Computational Physics · Physics 2021-11-16 Simone Rodini

Deep learning approaches for partial differential equations (PDEs) have received much attention in recent years due to their mesh-freeness and computational efficiency. However, most of the works so far have concentrated on time-dependent…

Machine Learning · Computer Science 2022-09-26 Son N. T. Tu , Thu Nguyen

In this paper we discuss a level set approach for the identification of an unknown boundary in a computational domain. The problem takes the form of a Bernoulli problem where only the Dirichlet datum is known on the boundary that is to be…

Numerical Analysis · Mathematics 2020-08-25 Erik Burman , Cuiyu He , Mats G. Larson

A new formulation of boundary value problems in gradient elasticity is presented in this work. The main outcome is the construction of partial differential systems of second order, which are typically equivalent with the well known fourth…

Analysis of PDEs · Mathematics 2019-09-25 Antonios Charalambopoulos , Evanthia Douka , Stelios Mavratzas

Thermodynamic and flash equilibrium calculations are the cornerstones of simulation process calculations. The iterative approach, a widely used nonlinear problem-solving technique, relies on derivative calculations throughout the procedure…

Computational Engineering, Finance, and Science · Computer Science 2023-11-21 Shaoyi Yang

Model-based control for robots has increasingly been dependent on optimization-based methods like Differential Dynamic Programming and iterative LQR (iLQR). These methods can form the basis of Model-Predictive Control (MPC), which is…

Robotics · Computer Science 2023-02-14 Shubham Singh , Ryan P. Russell , Patrick M. Wensing

This work studies a variational formulation and numerical solution of a regularized morphoelasticity problem of shape evolution. The foundation of our analysis is based on the governing equations of linear elasticity, extended to account…

Numerical Analysis · Mathematics 2026-05-13 Ziqin Zhou

Predicting time-dependent dynamics of complex systems governed by non-linear partial differential equations (PDEs) with varying parameters and domains is a challenging task motivated by applications across various fields. We introduce a…

This work introduces and analyzes a finite element scheme for evolution problems involving fractional-in-time and in-space differentiation operators up to order two. The left-sided fractional-order derivative in time we consider is employed…

Numerical Analysis · Mathematics 2018-04-17 Gabriel Acosta , Francisco M. Bersetche , Juan Pablo Borthagaray
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