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Simulation and optimization are crucial for advancing the engineering design of complex systems and processes. Traditional optimization methods require substantial computational time and effort due to their reliance on resource-intensive…

Machine Learning · Computer Science 2025-08-28 Janak M. Patel , Milad Ramezankhani , Anirudh Deodhar , Dagnachew Birru

Gradient-based optimization of engineering designs is limited by non-differentiable components in the typical computer-aided engineering (CAE) workflow, which calculates performance metrics from design parameters. While gradient-based…

Computational Engineering, Finance, and Science · Computer Science 2025-11-17 Andrin Rehmann , Nolan Black , Josiah Bjorgaard , Alessandro Angioi , Andrei Paleyes , Niklas Heim , Dion Häfner , Alexander Lavin

Automatic Differentiation (AD) is instrumental for science and industry. It is a tool to evaluate the derivative of a function specified through a computer program. The range of AD application domain spans from Machine Learning to Robotics…

Mathematical Software · Computer Science 2023-03-01 Ioana Ifrim , Vassil Vassilev , David J Lange

The successes of deep learning, variational inference, and many other fields have been aided by specialized implementations of reverse-mode automatic differentiation (AD) to compute gradients of mega-dimensional objectives. The AD…

Machine Learning · Computer Science 2021-03-16 Deniz Oktay , Nick McGreivy , Joshua Aduol , Alex Beatson , Ryan P. Adams

The primary goal of this paper is to provide an efficient solution algorithm based on the augmented Lagrangian framework for optimization problems with a stochastic objective function and deterministic constraints. Our main contribution is…

Optimization and Control · Mathematics 2023-12-29 Raghu Bollapragada , Cem Karamanli , Brendan Keith , Boyan Lazarov , Socratis Petrides , Jingyi Wang

Anderson acceleration (AA) as an efficient technique for speeding up the convergence of fixed-point iterations may be designed for accelerating an optimization method. We propose a novel optimization algorithm by adapting Anderson…

Optimization and Control · Mathematics 2022-11-17 Hailiang Liu , Jia-Hao He , Xuping Tian

This work proposes a novel shape optimization framework for geometric inverse problems governed by the advection--diffusion equation, based on the coupled complex boundary method (CCBM). Building on recent developments [Afr22, Rab23, Rab25,…

Numerical Analysis · Mathematics 2026-03-19 Elmehdi Cherrat , Lekbir Afraites , Julius Fergy Tiongson Rabago

High dimensional and/or nonconvex optimization remains a challenging and important problem across a wide range of fields, such as machine learning, data assimilation, and partial differential equation (PDE) constrained optimization. Here we…

Optimization and Control · Mathematics 2025-08-29 Brian K. Tran , Ben S. Southworth , David B. Cavender , Sam Olivier , Syed A. Shah , Tommaso Buvoli

In component shape optimization, the component properties are often evaluated by computationally expensive simulations. Such optimization becomes unfeasible when it is focused on a global search requiring thousands of simulations to be…

Computational Engineering, Finance, and Science · Computer Science 2025-12-08 Lucie Kubíčková , Onřej Gebouský , Jan Haidl , Martin Isoz

The comparison of protein structures is a fundamental task in computational biology, crucial for understanding protein function, evolution, and for drug design. While analytical methods like the Kabsch algorithm provide an exact,…

Quantitative Methods · Quantitative Biology 2025-08-26 Yue Hu , Zanxia Cao , Yingchao Liu

This study presents an efficient and accurate discrete adjoint gas-kinetic scheme (GKS) for sensitivity analysis and aerodynamic shape optimization in continuum flow regimes. Developed using the backward mode of algorithmic differentiation…

Fluid Dynamics · Physics 2026-04-17 Hangkong Wu , Yuze Zhu , Yajun Zhu , Kun Xu

Prompt engineering is crucial for fully leveraging large language models (LLMs), yet most existing optimization methods follow a single trajectory, resulting in limited adaptability, gradient conflicts, and high computational overhead. We…

Artificial Intelligence · Computer Science 2026-02-04 Yichen Han , Yuhang Han , Siteng Huang , Guanyu Liu , Zhengpeng Zhou , Bojun Liu , Yujia Zhang , Isaac N Shi , Lewei He , Tianyu Shi

Adaptive gradient methods have become popular in optimizing deep neural networks; recent examples include AdaGrad and Adam. Although Adam usually converges faster, variations of Adam, for instance, the AdaBelief algorithm, have been…

Machine Learning · Computer Science 2024-10-29 Kushal Chakrabarti , Nikhil Chopra

Based on SGD, previous works have proposed many algorithms that have improved convergence speed and generalization in stochastic optimization, such as SGDm, AdaGrad, Adam, etc. However, their convergence analysis under non-convex conditions…

Machine Learning · Computer Science 2024-02-05 Yichuan Deng , Zhao Song , Chiwun Yang

The latest sheet stamping processes enable efficient manufacturing of complex shape structural components that have high stiffness to weight ratios, but these processes can introduce defects. To assist component design for stamping…

Machine Learning · Computer Science 2022-02-09 Hamid Reza Attar , Alistair Foster , Nan Li

Machine learning and neural network models in particular have been improving the state of the art performance on many artificial intelligence related tasks. Neural network models are typically implemented using frameworks that perform…

Machine Learning · Computer Science 2021-10-18 Davan Harrison

The ability of widely distributed radar systems to capture diverse spatial scattering properties substantially improves radar imaging performance. Traditional imaging methods leverage regularized optimization techniques to reconstruct…

Signal Processing · Electrical Eng. & Systems 2023-07-18 Ahmed Murtada , Bhavani Shankar Mysore Rama Rao , Udo Schroeder

We introduce an efficient open-source python package for the inverse design of three-dimensional photonic nanostructures using the Finite-Difference Time-Domain (FDTD) method. Leveraging a flexible reverse-mode automatic differentiation…

In this paper we introduce a novel certified shape optimization strategy - named Certified Descent Algorithm (CDA) - to account for the numerical error introduced by the Finite Element approximation of the shape gradient. We present a…

Numerical Analysis · Mathematics 2018-05-28 Matteo Giacomini , Olivier Pantz , Karim Trabelsi

This paper develops a framework connecting discrete adjoint gradient-error analysis with an optimization method that uses directional error tolerances, and applies it to airfoil shape optimization governed by a conservative full-potential…

Optimization and Control · Mathematics 2026-05-19 Humberto Gimenes Macedo , Luís Felipe Bueno