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The need to efficiently calculate first- and higher-order derivatives of increasingly complex models expressed in Python has stressed or exceeded the capabilities of available tools. In this work, we explore techniques from the field of…

Machine Learning · Computer Science 2018-09-27 Bart van Merriënboer , Dan Moldovan , Alexander B Wiltschko

Neural network-based approaches have recently shown significant promise in solving partial differential equations (PDEs) in science and engineering, especially in scenarios featuring complex domains or incorporation of empirical data. One…

Machine Learning · Computer Science 2025-03-19 Chuqi Chen , Yahong Yang , Yang Xiang , Wenrui Hao

Stochastic scientific models and machine learning optimization estimators have a large number of variables; hence computing large sparse Jacobians and Hessians is important. Algorithmic differentiation (AD) greatly reduces the programming…

Mathematical Software · Computer Science 2021-11-10 Bradley M. Bell , Kasper Kristensen

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

We consider the challenge of black-box optimization within hybrid discrete-continuous and variable-length spaces, a problem that arises in various applications, such as decision tree learning and symbolic regression. We propose DisCo-DSO…

Machine Learning · Computer Science 2024-12-17 Jacob F. Pettit , Chak Shing Lee , Jiachen Yang , Alex Ho , Daniel Faissol , Brenden Petersen , Mikel Landajuela

Forward Automatic Differentiation (AD) is a technique for augmenting programs to compute derivatives. The essence of Forward AD is to attach perturbations to each number, and propagate these through the computation. When derivatives are…

Symbolic Computation · Computer Science 2019-09-23 Oleksandr Manzyuk , Barak A. Pearlmutter , Alexey Andreyevich Radul , David R. Rush , Jeffrey Mark Siskind

ADF95 is a tool to automatically calculate numerical first derivatives for any mathematical expression as a function of user defined independent variables. Accuracy of derivatives is achieved within machine precision. ADF95 may be applied…

Mathematical Software · Computer Science 2007-05-23 Christian W. Straka

Deep neural networks are ubiquitous due to the ease of developing models and their influence on other domains. At the heart of this progress is convolutional neural networks (CNNs) that are capable of learning representations or features…

Computer Vision and Pattern Recognition · Computer Science 2020-10-26 Mohammed Bany Muhammad , Mohammed Yeasin

Dijkstra observed that verifying correctness of a program is difficult and conjectured that derivation of a program hand-in-hand with its proof of correctness was the answer. We illustrate this goal-oriented approach by applying it to the…

Mathematical Software · Computer Science 2017-10-13 Devangi N. Parikh , Maggie E. Myers , Robert A. van de Geijn

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

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

Post-training techniques combined with inference-time scaling significantly enhance the reasoning and alignment capabilities of large language models (LLMs). However, a fundamental tension arises: inference-time methods benefit from diverse…

Machine Learning · Computer Science 2026-05-12 Changhao Li , Yuchen Zhuang , Chenxiao Gao , Haotian Sun , Rushi Qiang , Chao Zhang , Bo Dai

Compressed Deep Learning (DL) models are essential for deployment in resource-constrained environments. But their performance often lags behind their large-scale counterparts. To bridge this gap, we propose Alignment Adapter (AlAd): a…

Machine Learning · Computer Science 2026-02-17 Rohit Raj Rai , Abhishek Dhaka , Amit Awekar

We overview the ensmallen numerical optimization library, which provides a flexible C++ framework for mathematical optimization of user-supplied objective functions. Many types of objective functions are supported, including general,…

Mathematical Software · Computer Science 2024-02-12 Ryan R. Curtin , Marcus Edel , Rahul Ganesh Prabhu , Suryoday Basak , Zhihao Lou , Conrad Sanderson

Activity diagrams (ADs) have recently become widely used in the modeling of workflows, business processes, and web-services, where they serve various purposes, from documentation, requirement definitions, and test case specifications, to…

Software Engineering · Computer Science 2014-09-09 Shahar Maoz , Jan Oliver Ringert , Bernhard Rumpe

Agentic AI enables LLM to dynamically reason, plan, and interact with tools to solve complex tasks. However, agentic workflows often require many iterative reasoning steps and tool invocations, leading to significant operational expense,…

Artificial Intelligence · Computer Science 2026-02-03 Sami Abuzakuk , Anne-Marie Kermarrec , Rishi Sharma , Rasmus Moorits Veski , Martijn de Vos

Differential machine learning combines automatic adjoint differentiation (AAD) with modern machine learning (ML) in the context of risk management of financial Derivatives. We introduce novel algorithms for training fast, accurate pricing…

Computational Finance · Quantitative Finance 2020-10-01 Brian Huge , Antoine Savine

Reverse-mode automatic differentiation (AD) suffers from the issue of having too much space overhead to trace back intermediate computational states for back-propagation. The traditional method to trace back states is called checkpointing…

Programming Languages · Computer Science 2021-02-02 Jin-Guo Liu , Taine Zhao

We present the new software OpDiLib, a universal add-on for classical operator overloading AD tools that enables the automatic differentiation (AD) of OpenMP parallelized code. With it, we establish support for OpenMP features in a reverse…

Mathematical Software · Computer Science 2022-12-09 Johannes Blühdorn , Max Sagebaum , Nicolas R. Gauger

The successes of deep learning, variational inference, and many other fields have been aided by specialized implementations of reverse-mode automatic differentiation (AD) to compute gradients of mega-dimensional objectives. The AD…

Machine Learning · Computer Science 2021-03-16 Deniz Oktay , Nick McGreivy , Joshua Aduol , Alex Beatson , Ryan P. Adams
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