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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

Despite the rapidly evolving field of computational electromagnetics, few open-source tools have managed to tackle the problem of automatic mesh generation for properly discretizing the problem of interest into a finite set of elements…

Signal Processing · Electrical Eng. & Systems 2022-09-22 Apostolos Spanakis-Misirlis

Automatic differentiation is a set of techniques to efficiently and accurately compute the derivative of a function represented by a computer program. Existing C++ libraries for automatic differentiation (e.g. Adept, Stan Math Library),…

Mathematical Software · Computer Science 2021-02-09 James Yang

This study presents novel strategies for improving the node-level performance of matrix-free evaluation of continuous and discontinuous Galerkin spatial discretizations on unstructured tetrahedral grids. In our approach the underlying…

Numerical Analysis · Mathematics 2025-09-15 Dominik Still , Niklas Fehn , Wolfgang A. Wall , Martin Kronbichler

Derivative computation is a key component of optimization, sensitivity analysis, uncertainty quantification, and nonlinear solvers. Automatic differentiation (AD) is a powerful technique for evaluating such derivatives, and in recent years,…

Mathematical Software · Computer Science 2025-07-18 Kim Liegeois , Brian Kelley , Eric Phipps , Sivasankaran Rajamanickam , Vassil Vassilev

A commonly occurring computation idiom in neural networks is to perform some pointwise operations on the result of a matrix multiplication. Such a sequence of operations is typically represented as a computation graph in deep learning…

Programming Languages · Computer Science 2020-08-04 Somashekaracharya G. Bhaskaracharya , Julien Demouth , Vinod Grover

In an effort to increase the versatility of finite element codes, we explore the possibility of automatically creating the Jacobian matrix necessary for the gradient-based solution of nonlinear systems of equations. Particularly, we aim to…

Numerical Analysis · Computer Science 2017-02-22 Florian Zwicke , Philipp Knechtges , Marek Behr , Stefanie Elgeti

Traditionally, the geometric multigrid method is used with nested levels. However, the construction of a suitable hierarchy for very fine and unstructured grids is, in general, highly non-trivial. In this scenario, the non-nested multigrid…

Numerical Analysis · Mathematics 2024-12-17 Marco Feder , Luca Heltai , Martin Kronbichler , Peter Munch

This paper proposes a method for generating software components for embedded systems, integrating seamlessly into existing implementations without developer intervention. We demonstrate this by automatically generating hardware abstraction…

Software Engineering · Computer Science 2025-02-27 Sebastian Haug , Christoph Böhm , Daniel Mayer

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

Analytical nuclear gradients for fully internally contracted complete active space second-order perturbation theory (CASPT2) are reported. This implementation has been realized by an automated code generator that can handle spin-free…

Chemical Physics · Physics 2015-02-11 Matthew K. MacLeod , Toru Shiozaki

We propose a project for automatic representation and evaluation of helicity amplitudes we started to develop and explain it's main functioning principles.

High Energy Physics - Phenomenology · Physics 2007-05-23 P. Cherzor

Over the last few years, neural networks have started penetrating safety critical systems to take decisions in robots, rockets, autonomous driving car, etc. A problem is that these critical systems often have limited computing resources.…

Software Engineering · Computer Science 2022-02-24 Hanane Benmaghnia , Matthieu Martel , Yassamine Seladji

Derivative boundary conditions introduce challenges for mesh-free discretizations of PDEs on surfaces, especially when the domain is represented by randomly sampled point clouds. The recently developed two-step tangent-space RBF-generated…

Numerical Analysis · Mathematics 2026-03-31 Peng Chen , Shixiao Willing Jiang , Rongji Li , Qile Yan

The Mat\'ern covariance function is ubiquitous in the application of Gaussian processes to spatial statistics and beyond. Perhaps the most important reason for this is that the smoothness parameter $\nu$ gives complete control over the…

Computation · Statistics 2022-05-11 Christopher J. Geoga , Oana Marin , Michel Schanen , Michael L. Stein

This work presents a matrix-free finite element solver for finite-strain elasticity adopting an $hp$-multigrid preconditioner. Compared to classical algorithms relying on a global sparse matrix, matrix-free solution strategies significantly…

Computational Engineering, Finance, and Science · Computer Science 2024-12-09 Richard Schussnig , Niklas Fehn , Peter Munch , Martin Kronbichler

In this work, we address the exact D-optimal experimental design problem by proposing an efficient algorithm that rapidly identifies the support of its continuous relaxation. Our method leverages a column generation framework to solve such…

Optimization and Control · Mathematics 2026-05-18 Selin Ahipasaoglu , Stefano Cipolla , Jacek Gondzio

A compiler approach for generating low-level computer code from high-level input for discontinuous Galerkin finite element forms is presented. The input language mirrors conventional mathematical notation, and the compiler generates…

Mathematical Software · Computer Science 2011-04-05 Kristian B. Ølgaard , Anders Logg , Garth N. Wells

This work studies three multigrid variants for matrix-free finite-element computations on locally refined meshes: geometric local smoothing, geometric global coarsening, and polynomial global coarsening. We have integrated the algorithms…

Numerical Analysis · Mathematics 2022-04-12 Peter Munch , Timo Heister , Laura Prieto Saavedra , Martin Kronbichler

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