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In the domain of geometry and topology optimization, discovering geometries that optimally satisfy specific problem criteria is a complex challenge in both engineering and scientific research. In this work, we propose a new approach for the…

Computational Physics · Physics 2024-11-26 Alexander Luce , Daniel Grünbaum , Florian Marquardt

Derivative-based algorithms are ubiquitous in statistics, machine learning, and applied mathematics. Automatic differentiation offers an algorithmic way to efficiently evaluate these derivatives from computer programs that execute relevant…

Computation · Statistics 2022-03-01 Charles C. Margossian , Michael Betancourt

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

The pursue of what are properties that can be identified to permit an automated reasoning program to generate and find new and interesting theorems is an interesting research goal (pun intended). The automatic discovery of new theorems is a…

Artificial Intelligence · Computer Science 2024-01-23 Pedro Quaresma , Pierluigi Graziani , Stefano M. Nicoletti

Conventionally, data driven identification and control problems for higher order dynamical systems are solved by augmenting the system state by the derivatives of the output to formulate first order dynamical systems in higher dimensions.…

Optimization and Control · Mathematics 2021-06-02 Joel A. Rosenfeld , Benjamin P. Russo , Rushikesh Kamalapurkar

We present semantic correctness proofs of automatic differentiation (AD). We consider a forward-mode AD method on a higher-order language with algebraic data types and we characterise it as the unique structure-preserving macro given a…

Programming Languages · Computer Science 2026-05-07 Mathieu Huot , Sam Staton , Matthijs Vákár

Automatic differentiation, as implemented today, does not have a simple mathematical model adapted to the needs of modern machine learning. In this work we articulate the relationships between differentiation of programs as implemented in…

Machine Learning · Computer Science 2020-10-30 Jerome Bolte , Edouard Pauwels

A new concept for the higher-order accurate approximation of partial differential equations on manifolds is proposed where a surface mesh composed by higher-order elements is automatically generated based on level-set data. Thereby, it…

Numerical Analysis · Computer Science 2017-10-11 T. P. Fries , D. Schöllhammer

This paper deals with well-known higher-order generalizations of Hankel operators. We show that higher-order Hankel operators can be written explicitly as linear differential operators, and give the exact form of these differential…

Representation Theory · Mathematics 2010-04-19 B. Pittman-Polletta

The problem of equivalency for linear differential operators of the first order is discussed.

Differential Geometry · Mathematics 2020-03-31 Valentin Lychagin

Reconstructing force fields (FFs) from atomistic simulation data is a challenge since accurate data can be highly expensive. Here, machine learning (ML) models can help to be data economic as they can be successfully constrained using the…

Chemical Physics · Physics 2022-10-27 Niklas Frederik Schmitz , Klaus-Robert Müller , Stefan Chmiela

Gradient Boosted Decision Trees (GBDTs) are dominant machine learning algorithms for modeling discrete or tabular data. Unlike neural networks with millions of trainable parameters, GBDTs optimize loss function in an additive manner and…

Machine Learning · Computer Science 2022-11-22 Jean Pachebat , Sergei Ivanov

High dimensional data analysis is known to be as a challenging problem. In this article, we give a theoretical analysis of high dimensional classification of Gaussian data which relies on a geometrical analysis of the error measure. It…

Statistics Theory · Mathematics 2008-07-10 Robin Girard

These notes provide an introduction to the algebra and geometry of differential operators and jet bundles. Their point of view is guided by the leitmotiv that higher-spin gravity theories call for higher-order generalisations of Lie…

High Energy Physics - Theory · Physics 2023-06-28 Xavier Bekaert

Outlier recognition is a fundamental problem in data analysis and has attracted a great deal of attention in the past decades. However, most existing methods still suffer from several issues such as high time and space complexities or…

Computational Geometry · Computer Science 2019-04-09 Hu Ding , Mingquan Ye

The problem of identifying geometric structure in data is a cornerstone of (unsupervised) learning. As a result, Geometric Representation Learning has been widely applied across scientific and engineering domains. In this work, we…

Machine Learning · Computer Science 2025-06-03 Imran Nasim , Melanie Weber

Automatic differentiation plays a prominent role in scientific computing and in modern machine learning, often in the context of powerful programming systems. The relation of the various embodiments of automatic differentiation to the…

Programming Languages · Computer Science 2020-02-04 Martin Abadi , Gordon D. Plotkin

Automated code generation allows for a separation between the development of a model, expressed via a domain specific language, and lower level implementation details. Algorithmic differentiation can be applied symbolically at the level of…

Programming Languages · Computer Science 2024-09-27 James R. Maddison

There exist many applications where it is necessary to approximate numerically derivatives of a function which is given by a computer procedure. In particular, all the fields of optimization have a special interest in such a kind of…

Numerical Analysis · Mathematics 2012-03-15 Yaroslav D. Sergeyev

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