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Automatic differentiation is a tool for numerically calculating derivatives of a given function up to machine precision. This tool is useful for quantum chemistry methods, which require the calculation of gradients either for the…

Chemical Physics · Physics 2020-11-25 Fabijan Pavošević , Sharon Hammes-Schiffer

Data augmentation has been an indispensable tool to improve the performance of deep neural networks, however the augmentation can hardly transfer among different tasks and datasets. Consequently, a recent trend is to adopt AutoML technique…

Computer Vision and Pattern Recognition · Computer Science 2021-10-13 Aoming Liu , Zehao Huang , Zhiwu Huang , Naiyan Wang

In this paper we take a look at Automatic Differentiation through the eyes of Tensor and Operational Calculus. This work is best consumed as supplementary material for learning tensor and operational calculus by those already familiar with…

Symbolic Computation · Computer Science 2018-09-03 Žiga Sajovic

The application of operator overloading algorithmic differentiation (AD) to computer programs in order to compute the derivative is quite common. But, the replacement of the underlying computational floating point type with the specialized…

Mathematical Software · Computer Science 2026-02-18 Max Sagebaum , Nicolas R. Gauger

Data assimilation (DA) in the geophysical sciences remains the cornerstone of robust forecasts from numerical models. Indeed, DA plays a crucial role in the quality of numerical weather prediction, and is a crucial building block that has…

Multilinear Discriminant Analysis (MDA) is a powerful dimension reduction method specifically formulated to deal with tensor data. Precisely, the goal of MDA is to find mode-specific projections that optimally separate tensor data from…

Numerical Analysis · Mathematics 2022-03-03 F. Dufrenois , A. El Ichi , K. Jbilou

High-dimensional data requires scalable algorithms. We propose and analyze three scalable and related algorithms for semi-supervised discriminant analysis (SDA). These methods are based on Krylov subspace methods which exploit the data…

Artificial Intelligence · Computer Science 2019-02-21 Joris Tavernier , Jaak Simm , Karl Meerbergen , Joerg Kurt Wegner , Hugo Ceulemans , Yves Moreau

Automatic differentiation (AD) has been a topic of interest for researchers in many disciplines, with increased popularity since its application to machine learning and neural networks. Although many researchers appreciate and know how to…

Programming Languages · Computer Science 2023-08-10 Birthe van den Berg , Tom Schrijvers , James McKinna , Alexander Vandenbroucke

En este trabajo se presenta una propuesta para realizar Diferenciaci\'on Autom\'atica Anidada utilizando cualquier biblioteca de Diferenciaci\'on Autom\'atica que permita sobrecarga de operadores. Para calcular las derivadas anidadas en una…

Symbolic Computation · Computer Science 2014-05-23 Juan Luis Valerdi

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

We propose a new batch mode active learning algorithm designed for neural networks and large query batch sizes. The method, Discriminative Active Learning (DAL), poses active learning as a binary classification task, attempting to choose…

Machine Learning · Computer Science 2019-07-16 Daniel Gissin , Shai Shalev-Shwartz

Robot design optimization, imitation learning and system identification share a common problem which requires optimization over robot or task parameters at the same time as optimizing the robot motion. To solve these problems, we can use…

Robotics · Computer Science 2022-09-05 Traiko Dinev , Carlos Mastalli , Vladimir Ivan , Steve Tonneau , Sethu Vijayakumar

We show that Automatic Differentiation (AD) operators can be provided in a dynamic language without sacrificing numeric performance. To achieve this, general forward and reverse AD functions are added to a simple high-level dynamic…

Programming Languages · Computer Science 2016-11-11 Jeffrey Mark Siskind , Barak A. Pearlmutter

Automatic differentiation (AD) is conventionally understood as a family of distinct algorithms, rooted in two "modes" -- forward and reverse -- which are typically presented (and implemented) separately. Can there be only one? Following up…

Programming Languages · Computer Science 2022-12-07 Alexey Radul , Adam Paszke , Roy Frostig , Matthew Johnson , Dougal Maclaurin

Despite plenty of efforts focusing on improving the domain adaptation ability (DA) under unsupervised or few-shot semi-supervised settings, recently the solution of active learning started to attract more attention due to its suitability in…

Machine Learning · Computer Science 2022-04-05 Ming Xie , Yuxi Li , Yabiao Wang , Zekun Luo , Zhenye Gan , Zhongyi Sun , Mingmin Chi , Chengjie Wang , Pei Wang

Training a deep learning model to classify histopathological images is challenging, because of the color and shape variability of the cells and tissues, and the reduced amount of available data, which does not allow proper learning of those…

Computer Vision and Pattern Recognition · Computer Science 2023-07-25 Saypraseuth Mounsaveng , Issam Laradji , David Vázquez , Marco Perdersoli , Ismail Ben Ayed

Many engineering problems involve learning hidden dynamics from indirect observations, where the physical processes are described by systems of partial differential equations (PDE). Gradient-based optimization methods are considered…

Numerical Analysis · Mathematics 2019-12-17 Kailai Xu , Dongzhuo Li , Eric Darve , Jerry M. Harris

Differentiation along algorithms, i.e., piggyback propagation of derivatives, is now routinely used to differentiate iterative solvers in differentiable programming. Asymptotics is well understood for many smooth problems but the…

Optimization and Control · Mathematics 2022-06-02 Jérôme Bolte , Edouard Pauwels , Samuel Vaiter

This paper is concerned with the efficient evaluation of higher-order derivatives of functions $f$ that are composed of matrix operations. I.e., we want to compute the $D$-th derivative tensor $\nabla^D f(X) \in \mathbb R^{N^D}$, where…

Data Structures and Algorithms · Computer Science 2016-09-08 Sebastian F. Walter

Where dual-numbers forward-mode automatic differentiation (AD) pairs each scalar value with its tangent value, dual-numbers reverse-mode AD attempts to achieve reverse AD using a similarly simple idea: by pairing each scalar value with a…

Programming Languages · Computer Science 2025-03-04 Tom Smeding , Matthijs Vákár
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