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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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…