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This article provides an overview of some of the mathematical principles of Automatic Differentiation (AD). In particular, we summarise different descriptions of the Forward Mode of AD, like the matrix-vector product based approach, the…

Numerical Analysis · Mathematics 2016-07-07 Philipp H. W. Hoffmann

The paper proposes a new adaptive approach to power system model reduction for fast and accurate time-domain simulation. This new approach is a compromise between linear model reduction for faster simulation and nonlinear model reduction…

Systems and Control · Computer Science 2017-11-13 Denis Osipov , Kai Sun

Deep neural networks (DNNs) have recently achieved great success in many visual recognition tasks. However, existing deep neural network models are computationally expensive and memory intensive, hindering their deployment in devices with…

Machine Learning · Computer Science 2020-06-16 Yu Cheng , Duo Wang , Pan Zhou , Tao Zhang

Recent progress in deep learning has been driven by increasingly larger models. However, their computational and energy demands have grown proportionally, creating significant barriers to their deployment and to a wider adoption of deep…

Machine Learning · Computer Science 2025-09-16 Pedro Savarese

The problem of learning the structure of a high dimensional graphical model from data has received considerable attention in recent years. In many applications such as sensor networks and proteomics it is often expensive to obtain samples…

Machine Learning · Statistics 2016-04-08 Gautam Dasarathy , Aarti Singh , Maria-Florina Balcan , Jong Hyuk Park

Feature engineering, a crucial step of machine learning, aims to extract useful features from raw data to improve data quality. In recent years, great efforts have been devoted to Automated Feature Engineering (AutoFE) to replace expensive…

Machine Learning · Computer Science 2022-10-11 Guanghui Zhu , Zhuoer Xu , Xu Guo , Chunfeng Yuan , Yihua Huang

This paper deals with the problem of identification of photovoltaic arrays' maximum power extraction point---information that is encrypted in the current-voltage characteristic equation. We propose a new parameterisation of the classical…

Systems and Control · Computer Science 2016-05-02 Anton Pyrkin , Fernando Mancilla-David , Romeo Ortega , Alexey Bobtsov , Stanislav Aranovskiy

We develop nested automatic differentiation (AD) algorithms for exact inference and learning in integer latent variable models. Recently, Winner, Sujono, and Sheldon showed how to reduce marginalization in a class of integer latent variable…

Machine Learning · Statistics 2018-06-11 Daniel Sheldon , Kevin Winner , Debora Sujono

We present a GPU-based system for automatic differentiation (AD) of functions defined on triangle meshes, designed to exploit the locality and sparsity in mesh-based computation. Our system evaluates derivatives using per-element…

Graphics · Computer Science 2026-02-03 Ahmed H. Mahmoud , Rahul Goel , Jonathan Ragan-Kelley , Justin Solomon

The increasing use of two-dimensional (2D) materials in nanoelectronics demands robust metrology techniques for electrical characterization, especially for large-scale production. While atomic force microscopy (AFM) techniques like…

Computer Vision and Pattern Recognition · Computer Science 2026-02-03 Levi Harris , Md Jayed Hossain , Mufan Qiu , Ruichen Zhang , Pingchuan Ma , Tianlong Chen , Jiaqi Gu , Seth Ariel Tongay , Umberto Celano

Molecular dynamics (MD) simulations are useful in obtaining thermodynamic and kinetic properties of bio-molecules but are limited by the timescale barrier, i.e., we may be unable to efficiently obtain properties because we need to run…

Chemical Physics · Physics 2017-08-23 Surl-Hee Ahn , Jay W. Grate , Eric F. Darve

Deep learning has seen tremendous success over the past decade in computer vision, machine translation, and gameplay. This success rests in crucial ways on gradient-descent optimization and the ability to learn parameters of a neural…

Machine Learning · Computer Science 2019-08-30 Fei Wang , Daniel Zheng , James Decker , Xilun Wu , Grégory M. Essertel , Tiark Rompf

Hyper-parameter selection remains a daunting task when building a pattern recognition architecture which performs well, particularly in recently constructed visual pipeline models for feature extraction. We re-formulate pooling in an…

Computer Vision and Pattern Recognition · Computer Science 2013-01-17 Derek Rose , Itamar Arel

Anomaly detection (AD) in images is a fundamental computer vision problem by deep learning neural network to identify images deviating significantly from normality. The deep features extracted from pretrained models have been proved to be…

Computer Vision and Pattern Recognition · Computer Science 2023-12-05 Zeyu Jiang , João P. C. Bertoldo , Etienne Decencière

While proper orthogonal decomposition (POD) is widely used for model reduction, its standard form does not take into account any parametric model structure. Extensions to POD have been proposed to address this, but these either require…

Numerical Analysis · Mathematics 2025-08-13 Sebastiaan P. C. van Schie , Boris Kramer , John T. Hwang

Machine-learning-based interatomic potential energy surface (PES) models are revolutionizing the field of molecular modeling. However, although much faster than electronic structure schemes, these models suffer from costly computations via…

Computational Physics · Physics 2022-08-08 Denghui Lu , Wanrun Jiang , Yixiao Chen , Linfeng Zhang , Weile Jia , Han Wang , Mohan Chen

Training of deep neural networks (DNNs) frequently involves optimizing several millions or even billions of parameters. Even with modern computing architectures, the computational expense of DNN training can inhibit, for instance, network…

Machine Learning · Computer Science 2020-06-26 Mauricio E. Tano , Gavin D. Portwood , Jean C. Ragusa

Distributed multi-party learning provides an effective approach for training a joint model with scattered data under legal and practical constraints. However, due to the quagmire of a skewed distribution of data labels across participants…

Machine Learning · Computer Science 2021-11-01 Maoguo Gong , Yuan Gao , Yue Wu , A. K. Qin

A major issue in the association of genes to neuroimaging phenotypes is the high dimension of both genetic data and neuroimaging data. In this article, we tackle the latter problem with an eye toward developing solutions that are relevant…

Quantitative Methods · Quantitative Biology 2023-07-03 Cédric Beaulac , Sidi Wu , Erin Gibson , Michelle F. Miranda , Jiguo Cao , Leno Rocha , Mirza Faisal Beg , Farouk S. Nathoo

Algebraic Multigrid (AMG) methods are state-of-the-art algebraic solvers for partial differential equations. Still, their efficiency depends heavily on the choice of suitable parameters and/or ingredients. Paradigmatic examples include the…

Numerical Analysis · Mathematics 2026-01-01 Paola F. Antonietti , Matteo Caldana , Lorenzo Gentile , Marco Verani
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