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We derive methods to compute higher order differentials (Hessians and Hessian-vector products) of the rendering operator. Our approach is based on importance sampling of a convolution that represents the differentials of rendering…

Graphics · Computer Science 2025-08-07 Zican Wang , Michael Fischer , Tobias Ritschel

We propose a machine learning framework to accelerate numerical computations of time-dependent ODEs and PDEs. Our method is based on recasting (generalizations of) existing numerical methods as artificial neural networks, with a set of…

Numerical Analysis · Mathematics 2019-03-08 Siddhartha Mishra

If several independent algorithms for a computer-calculated quantity exist, then one can expect their results (which differ because of numerical errors) to follow approximately Gaussian distribution. The mean of this distribution,…

General Mathematics · Mathematics 2017-07-03 Andrej Liptaj

Stochastic gradients for deep neural networks exhibit strong correlations along the optimization trajectory, and are often aligned with a small set of Hessian eigenvectors associated with outlier eigenvalues. Recent work shows that…

Machine Learning · Computer Science 2026-02-04 Julien Nicolas , Mohamed Maouche , Sonia Ben Mokhtar , Mark Coates

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

We propose a numerical method for solving high dimensional fully nonlinear partial differential equations (PDEs). Our algorithm estimates simultaneously by backward time induction the solution and its gradient by multi-layer neural…

Optimization and Control · Mathematics 2021-01-27 Huyen Pham , Xavier Warin , Maximilien Germain

Differentiation is a cornerstone of computing and data analysis in every discipline of science and engineering. Indeed, most fundamental physics laws are expressed as relationships between derivatives in space and time. However, derivatives…

Numerical Analysis · Mathematics 2026-03-10 Pavel Komarov , Floris van Breugel , J. Nathan Kutz

In this review we present hyper-dual numbers as a tool for the automatic differentiation of computer programs via operator overloading. We start with a motivational introduction into the ideas of algorithmic differentiation. Then we…

Mathematical Software · Computer Science 2018-01-16 Martin Neuenhofen

Hardware accelerators, such as those based on GPUs and FPGAs, offer an excellent opportunity to efficiently parallelize functionalities. Recently, modern embedded platforms started being equipped with such accelerators, resulting in a…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-05-16 Daniel Casini , Paolo Pazzaglia , Alessandro Biondi , Marco Di Natale

In a real Hilbert space setting, we study the convergence properties of an inexact gradient algorithm featuring both viscous and Hessian driven damping for convex differentiable optimization. In this algorithm, the gradient evaluation can…

Optimization and Control · Mathematics 2025-09-25 Harsh Choudhary , Jalal Fadili , Vyachelav Kungurtsev

Optimization on manifolds is a class of methods for optimization of an objective function, subject to constraints which are smooth, in the sense that the set of points which satisfy the constraints admits the structure of a differentiable…

Mathematical Software · Computer Science 2020-09-03 James Townsend , Niklas Koep , Sebastian Weichwald

A core data-centric learning challenge is the identification of training samples that are detrimental to model performance. Influence functions serve as a prominent tool for this task and offer a robust framework for assessing training data…

Machine Learning · Computer Science 2025-11-04 Anshuman Chhabra , Bo Li , Jian Chen , Prasant Mohapatra , Hongfu Liu

Most nonlinear partial differential equation (PDE) solvers require the Jacobian matrix associated to the differential operator. In PETSc, this is typically achieved by either an analytic derivation or numerical approximation method such as…

Mathematical Software · Computer Science 2019-09-09 J. G. Wallwork , P. Hovland , H. Zhang , O. Marin

Differentiable programming is the combination of classical neural networks modules with algorithmic ones in an end-to-end differentiable model. These new models, that use automatic differentiation to calculate gradients, have new learning…

Dynamical Systems · Mathematics 2020-05-05 Adrián Hernández , José M. Amigó

As programmers turn to software-defined hardware (SDH) to maintain a high level of productivity while programming hardware to run complex algorithms, heavy-lifting must be done by the compiler to automatically partition on-chip arrays. In…

Hardware Architecture · Computer Science 2022-03-31 Matthew Feldman , Tian Zhao , Kunle Olukotun

The emergence of Big Data has enabled new research perspectives in the discrete choice community. While the techniques to estimate Machine Learning models on a massive amount of data are well established, these have not yet been fully…

Optimization and Control · Mathematics 2020-12-23 Gael Lederrey , Virginie Lurkin , Tim Hillel , Michel Bierlaire

Automatic differentiation frameworks are optimized for exactly one thing: computing the average mini-batch gradient. Yet, other quantities such as the variance of the mini-batch gradients or many approximations to the Hessian can, in…

Machine Learning · Computer Science 2020-02-18 Felix Dangel , Frederik Kunstner , Philipp Hennig

The differentiable programming paradigm is a cornerstone of modern scientific computing. It refers to numerical methods for computing the gradient of a numerical model's output. Many scientific models are based on differential equations,…

Training deep neural networks is a structured optimization problem, because the parameters are naturally represented by matrices and tensors rather than by vectors. Under this structural representation, it has been widely observed that…

Machine Learning · Computer Science 2025-10-30 Kang An , Yuxing Liu , Rui Pan , Yi Ren , Shiqian Ma , Donald Goldfarb , Tong Zhang

We consider the problem of accurate computation of the finite difference $f(\x+\s)-f(\x)$ when $\Vert\s\Vert$ is very small. Direct evaluation of this difference in floating point arithmetic succumbs to cancellation error and yields 0 when…

Optimization and Control · Mathematics 2013-07-17 Stephen Vavasis
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