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Gradients of probabilistic model likelihoods with respect to their parameters are essential for modern computational statistics and machine learning. These calculations are readily available for arbitrary models via automatic…

Populations and Evolution · Quantitative Biology 2023-06-06 Mathieu Fourment , Christiaan J. Swanepoel , Jared G. Galloway , Xiang Ji , Karthik Gangavarapu , Marc A. Suchard , Frederick A. Matsen

Discrete diffusion models excel at visual synthesis but rely on slow, iterative decoding. Existing single-step distillation methods attempt to bypass this bottleneck, either by training auxiliary score networks that effectively double…

Computer Vision and Pattern Recognition · Computer Science 2026-05-21 Chaoyang Wang , Yunhai Tong

FPGA-based graph processing accelerators, enabling extensive customization, have demonstrated significant energy efficiency over general computing engines like CPUs and GPUs. Nonetheless, customizing accelerators to diverse graph processing…

Hardware Architecture · Computer Science 2024-07-18 Xinmiao Zhang , Zheng Feng , Shengwen Liang , Xinyu Chen , Cheng Liu , Huawei Li , Xiaowei Li

Automatic differentiation, also known as backpropagation, AD, autodiff, or algorithmic differentiation, is a popular technique for computing derivatives of computer programs accurately and efficiently. Sometimes, however, the derivatives…

Numerical Analysis · Mathematics 2023-05-15 Jan Hückelheim , Harshitha Menon , William Moses , Bruce Christianson , Paul Hovland , Laurent Hascoët

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

Median filtering is a non-linear smoothing technique widely used in digital image processing to remove noise while retaining sharp edges. It is particularly well suited to removing outliers (impulse noise) or granular artifacts (speckle…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-29 Louis Sugy

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

We study the correctness of automatic differentiation (AD) in the context of a higher-order, Turing-complete language (PCF with real numbers), both in forward and reverse mode. Our main result is that, under mild hypotheses on the primitive…

Logic in Computer Science · Computer Science 2021-01-13 Damiano Mazza , Michele Pagani

Continuous-depth learning has recently emerged as a novel perspective on deep learning, improving performance in tasks related to dynamical systems and density estimation. Core to these approaches is the neural differential equation, whose…

Machine Learning · Computer Science 2020-09-22 Michael Poli , Stefano Massaroli , Atsushi Yamashita , Hajime Asama , Jinkyoo Park

In this paper we compare several Python tools for automatic differentiation. In order to assess the difference in performance and precision, the problem of finding the optimal geometrical structure of the cluster with identical atoms is…

Mathematical Software · Computer Science 2016-06-22 Andrei Turkin , Aung Thu

Automatic differentiation is everywhere, but there exists only minimal documentation of how it works in complex arithmetic beyond stating "derivatives in $\mathbb{C}^d$" $\cong$ "derivatives in $\mathbb{R}^{2d}$" and, at best, shallow…

Mathematical Software · Computer Science 2024-12-11 Nicholas Krämer

We extend JAX with the capability to automatically differentiate higher-order functions (functionals and operators). By representing functions as a generalization of arrays, we seamlessly use JAX's existing primitive system to implement…

Programming Languages · Computer Science 2024-01-30 Min Lin

As deep learning models scale, their training cost has surged significantly. Due to both hardware advancements and limitations in current software stacks, the need for data efficiency has risen. Data efficiency refers to the effective…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-12-09 Kun Wu

We present Direct Reward Fine-Tuning (DRaFT), a simple and effective method for fine-tuning diffusion models to maximize differentiable reward functions, such as scores from human preference models. We first show that it is possible to…

Computer Vision and Pattern Recognition · Computer Science 2024-06-24 Kevin Clark , Paul Vicol , Kevin Swersky , David J Fleet

We present diffSPH, a novel open-source differentiable Smoothed Particle Hydrodynamics (SPH) framework developed entirely in PyTorch with GPU acceleration. diffSPH is designed centrally around differentiation to facilitate optimization and…

Fluid Dynamics · Physics 2025-07-30 Rene Winchenbach , Nils Thuerey

Discrete cosine transform (DCT) and other Fourier-related transforms have broad applications in scientific computing. However, off-the-shelf high-performance multi-dimensional DCT (MD DCT) libraries are not readily available in parallel…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-10-05 Zixuan Jiang , Jiaqi Gu , David Z. Pan

Data augmentation methods are indispensable heuristics to boost the performance of deep neural networks, especially in image recognition tasks. Recently, several studies have shown that augmentation strategies found by search algorithms…

Computer Vision and Pattern Recognition · Computer Science 2019-11-19 Ryuichiro Hataya , Jan Zdenek , Kazuki Yoshizoe , Hideki Nakayama

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

We introduce PyTorch Geometric, a library for deep learning on irregularly structured input data such as graphs, point clouds and manifolds, built upon PyTorch. In addition to general graph data structures and processing methods, it…

Machine Learning · Computer Science 2019-04-26 Matthias Fey , Jan Eric Lenssen

Numerical simulations can help solve complex problems. Most of these algorithms are massively parallel and thus good candidates for FPGA acceleration thanks to spatial parallelism. Modern FPGA devices can leverage high-bandwidth memory…

Hardware Architecture · Computer Science 2022-11-09 Stephanie Soldavini , Karl F. A. Friebel , Mattia Tibaldi , Gerald Hempel , Jeronimo Castrillon , Christian Pilato