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Artificial intelligence has recently experienced remarkable advances, fueled by large models, vast datasets, accelerated hardware, and, last but not least, the transformative power of differentiable programming. This new programming…

Machine Learning · Computer Science 2025-06-25 Mathieu Blondel , Vincent Roulet

Molecular dynamics simulations use statistical mechanics at the atomistic scale to enable both the elucidation of fundamental mechanisms and the engineering of matter for desired tasks. The behavior of molecular systems at the microscale is…

Computational Physics · Physics 2020-12-25 Wujie Wang , Simon Axelrod , Rafael Gómez-Bombarelli

Particle-In-Cell codes are widely used for plasma physics simulations. It is often the case that particles within a computational cell need to be split to improve the statistics or, in the case of non-uniform meshes, to avoid the…

Computational Physics · Physics 2021-04-22 Roch Smets , Nicolas Aunais , ANdrea Ciardi , Matthieu Drouin , Martin Campos-Pino , Philip Deegan

We present a method for differentiable simulation of soft articulated bodies. Our work enables the integration of differentiable physical dynamics into gradient-based pipelines. We develop a top-down matrix assembly algorithm within…

Machine Learning · Computer Science 2022-05-05 Yi-Ling Qiao , Junbang Liang , Vladlen Koltun , Ming C. Lin

Differentiable programming has recently received much interest as a paradigm that facilitates taking gradients of computer programs. While the corresponding flexible gradient-based optimization approaches so far have been used predominantly…

Particle-in-cell methods with stochastic collision models are commonly used to simulate collisional plasma dynamics, with applications ranging from hypersonic flight to semiconductor manufacturing. Code verification of such methods is…

Computational Physics · Physics 2026-05-26 Brian A. Freno , William J. McDoniel , Christopher H. Moore , Neil R. Matula

This paper presents our work toward correct and efficient automatic differentiation of OpenMP parallel worksharing loops in forward and reverse mode. Automatic differentiation is a method to obtain gradients of numerical programs, which are…

Mathematical Software · Computer Science 2021-11-04 Jan Hückelheim , Laurent Hascoët

The development and the implementation of a Particle-in-Cell code written in the Unified Parallel C (UPC) language for plasma simulations with application to astrophysics and fusion nuclear energy machines are presented. A simple one…

Computational Physics · Physics 2011-08-10 Stefano Markidis , Giovanni Lapenta

Collision detection plays an important role in simulation, control, and learning for robotic systems. However, no existing method is differentiable with respect to the configurations of the objects, greatly limiting the sort of algorithms…

Robotics · Computer Science 2022-07-04 Kevin Tracy , Taylor A. Howell , Zachary Manchester

Gradient-based algorithms are crucial to modern computer-vision and graphics applications, enabling learning-based optimization and inverse problems. For example, photorealistic differentiable rendering pipelines for color images have been…

Computer Vision and Pattern Recognition · Computer Science 2021-08-10 Benjamin Planche , Rajat Vikram Singh

For a real function, automatic differentiation is such a standard algorithm used to efficiently compute its gradient, that it is integrated in various neural network frameworks. However, despite the recent advances in using complex…

Machine Learning · Computer Science 2021-01-19 Chu Guo , Dario Poletti

Automatic differentiation is involved for long in applied mathematics as an alternative to finite difference to improve the accuracy of numerical computation of derivatives. Each time a numerical minimization is involved, automatic…

Computational Finance · Quantitative Finance 2017-06-08 Sébastien Geeraert , Charles-Albert Lehalle , Barak Pearlmutter , Olivier Pironneau , Adil Reghai

Partial differential equations (PDEs) are crucial in modeling diverse phenomena across scientific disciplines, including seismic and medical imaging, computational fluid dynamics, image processing, and neural networks. Solving these PDEs at…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-01-07 George Bisbas , Rhodri Nelson , Mathias Louboutin , Fabio Luporini , Paul H. J. Kelly , Gerard Gorman

The last improvements in programming languages, programming models, and frameworks have focused on abstracting the users from many programming issues. Among others, recent programming frameworks include simpler syntax, automatic memory…

Programming Languages · Computer Science 2018-10-29 Cristian Ramon-Cortes , Ramon Amela , Jorge Ejarque , Philippe Clauss , Rosa M. Badia

We investigate the automatic differentiation of hybrid models, viz. models that may contain delays, logical tests and discontinuities or loops. We consider differentiation with respect to parameters, initial conditions or the time. We…

Systems and Control · Computer Science 2017-06-13 John Masse , Clara Masse , François Ollivier

We present a system for the automatic differentiation of a higher-order functional array-processing language. The core functional language underlying this system simultaneously supports both source-to-source automatic differentiation and…

Mathematical Software · Computer Science 2018-06-07 Amir Shaikhha , Andrew Fitzgibbon , Dimitrios Vytiniotis , Simon Peyton Jones , Christoph Koch

Many parallel and distributed computing research results are obtained in simulation, using simulators that mimic real-world executions on some target system. Each such simulator is configured by picking values for parameters that define the…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-07-03 Jesse McDonald , Maximilian Horzela , Frédéric Suter , Henri Casanova

This paper proposes an adaptive neural-compilation framework to address the problem of efficient program learning. Traditional code optimisation strategies used in compilers are based on applying pre-specified set of transformations that…

Artificial Intelligence · Computer Science 2016-05-27 Rudy Bunel , Alban Desmaison , Pushmeet Kohli , Philip H. S. Torr , M. Pawan Kumar

Artificial Intelligence (AI) applications in automation systems are usually distributed systems whose development and integration involve several experts. Each expert uses its own domain-specific modeling language and tools to model the…

Artificial Intelligence · Computer Science 2023-06-22 Marvin Schieseck , Philip Topalis , Alexander Fay

SMILEI is a collaborative, open-source, object-oriented (C++) particle-in-cell code. To benefit from the latest advances in high-performance computing (HPC), SMILEI is co-developed by both physicists and HPC experts. The code's structures,…