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Optimizing shapes and topology of physical devices is crucial for both scientific and technological advancements, given its wide-ranging implications across numerous industries and research areas. Innovations in shape and topology…

Computational Physics · Physics 2023-10-02 Alexander Luce , Rasoul Alaee , Fabian Knorr , Florian Marquardt

The overarching goal of beamline design is to achieve a high brightness electron beam from the beamline. Traditional beamline design studies involved separate optimizations of radio-frequency cavities, magnets, and beam dynamics using…

Accelerator Physics · Physics 2023-11-17 Gongxiaohui Chen , Tyler H. Chang , John Power , Chungunag Jing

Developing physics-based models for molecular simulation requires fitting many unknown parameters to diverse experimental datasets. Traditionally, this process is piecemeal and difficult to reproduce, leading to a fragmented landscape of…

Biological Physics · Physics 2025-04-10 Ryan K. Krueger , Megan C. Engel , Ryan Hausen , Michael P. Brenner

Iterative algorithms, like gradient descent, are common tools for solving a variety of problems, such as model fitting. For this reason, there is interest in creating differentially private versions of them. However, their conversion to…

Machine Learning · Computer Science 2018-08-30 Jaewoo Lee , Daniel Kifer

Nonlinear optimal control problems for trajectory planning with obstacle avoidance present several challenges. While general-purpose optimizers and dynamic programming methods struggle when adopted separately, their combination enabled by a…

Optimization and Control · Mathematics 2024-08-09 Rebecca Richter , Alberto De Marchi , Matthias Gerdts

Derivative-Free Optimization (DFO) involves methods that rely solely on evaluations of the objective function. One of the earliest strategies for designing DFO methods is to adapt first-order methods by replacing gradients with…

Optimization and Control · Mathematics 2025-02-12 Timothé Taminiau , Estelle Massart , Geovani Nunes Grapiglia

A broad class of hybrid quantum-classical algorithms known as "variational algorithms" have been proposed in the context of quantum simulation, machine learning, and combinatorial optimization as a means of potentially achieving a quantum…

Quantum Physics · Physics 2021-04-09 Aram Harrow , John Napp

High-performance computing systems are more and more often based on accelerators. Computing applications targeting those systems often follow a host-driven approach in which hosts offload almost all compute-intensive sections of the code…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-05-15 E. Calore , A. Gabbana , S. F. Schifano , R. Tripiccione

This paper proposes a gradient descent based optimization method that relies on automatic differentiation for the computation of gradients. The method uses tools and techniques originally developed in the field of artificial neural networks…

Systems and Control · Electrical Eng. & Systems 2023-09-29 Georg Kordowich , Johann Jaeger

Planning for sequential robotics tasks often requires integrated symbolic and geometric reasoning. TAMP algorithms typically solve these problems by performing a tree search over high-level task sequences while checking for kinematic and…

We study the foundations of variational inference, which frames posterior inference as an optimisation problem, for probabilistic programming. The dominant approach for optimisation in practice is stochastic gradient descent. In particular,…

Programming Languages · Computer Science 2023-01-10 Basim Khajwal , C. -H. Luke Ong , Dominik Wagner

This paper deals with differentiable dynamical models congruent with neural process theories that cast brain function as the hierarchical refinement of an internal generative model explaining observations. Our work extends existing…

Machine Learning · Computer Science 2021-12-10 André Ofner , Sebastian Stober

The efficient computer optimization of magnetic resonance pulses and pulse sequences involves the calculation of a problem-adapted cost function as well as its gradients with respect to all controls applied. The gradients generally can be…

Optimization and Control · Mathematics 2025-07-21 Stella Slad , Burkhard Luy

PDE-Constrained Optimization (PDECO) problems can be accelerated significantly by employing gradient-based methods with surrogate models like neural operators compared to traditional numerical solvers. However, this approach faces two key…

Machine Learning · Computer Science 2025-06-17 Ze Cheng , Zhuoyu Li , Xiaoqiang Wang , Jianing Huang , Zhizhou Zhang , Zhongkai Hao , Hang Su

Gradient tracking methods have emerged as one of the most popular approaches for solving decentralized optimization problems over networks. In this setting, each node in the network has a portion of the global objective function, and the…

Optimization and Control · Mathematics 2023-11-27 Albert S. Berahas , Raghu Bollapragada , Shagun Gupta

This article aims to demonstrate and discuss the applications of automatic differentiation (AD) for finding derivatives in PDE-constrained optimization problems and Jacobians in non-linear finite element analysis. The main idea is to…

Numerical Analysis · Mathematics 2025-06-03 Julian Andrej , Tzanio Kolev , Boyan Lazarov

Benchmark experiments are required to test, compare, tune, and understand optimization algorithms. Ideally, benchmark problems closely reflect real-world problem behavior. Yet, real-world problems are not always readily available for…

Neural and Evolutionary Computing · Computer Science 2020-08-17 Martin Zaefferer , Frederik Rehbach

The emergence of variational quantum applications has led to the development of automatic differentiation techniques in quantum computing. Recently, Zhu et al. (PLDI 2020) have formulated differentiable quantum programming with bounded…

Quantum Physics · Physics 2022-11-10 Wang Fang , Mingsheng Ying , Xiaodi Wu

In the hardware design space exploration process, it is critical to optimize both hardware parameters and algorithm-to-hardware mappings. Previous work has largely approached this simultaneous optimization problem by separately exploring…

Hardware Architecture · Computer Science 2025-09-16 Charles Hong , Qijing Huang , Grace Dinh , Mahesh Subedar , Yakun Sophia Shao

Automatic differentiation is everywhere, but there exists only minimal documentation of how it works in complex arithmetic beyond stating "derivatives in $\mathbb{C}^d$" $\cong$ "derivatives in $\mathbb{R}^{2d}$" and, at best, shallow…

Mathematical Software · Computer Science 2024-12-11 Nicholas Krämer
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