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This work investigates finite differences and the use of interpolation models to obtain approximations to the first and second derivatives of a function. Here, it is shown that if a particular set of points is used in the interpolation…

Optimization and Control · Mathematics 2020-01-24 Ian D. Coope , Rachael Tappenden

Gradient based optimization methods are the established state-of-the-art paradigm to study strongly entangled quantum systems in two dimensions with Projected Entangled Pair States. However, the key ingredient, the gradient itself, has…

Quantum Physics · Physics 2025-04-15 Anna Francuz , Norbert Schuch , Bram Vanhecke

This paper proposes several novel optimization algorithms for minimizing a nonlinear objective function. The algorithms are enlightened by the optimal state trajectory of an optimal control problem closely related to the minimized objective…

Optimization and Control · Mathematics 2025-04-01 Hongxia Wang , Yeming Xu , Ziyuan Guo , Huanshui Zhang

In this paper, we present the detailed mathematical derivation of the gradient and Hessian matrix for the Vora-Value based colorimetric filter optimization. We make a full recapitulation of the steps involved in differentiating the…

Optimization and Control · Mathematics 2020-10-06 Yuteng Zhu , Graham D. Finlayson

Differentiable programming, enabled by automatic differentiation (AD), provides a robust framework for gradient-based optimization in computational plasma physics. While optimization is often only used towards design, we demonstrate that it…

Plasma Physics · Physics 2026-03-13 A. S. Joglekar , A. G. R. Thomas , A. L. Milder , K. G. Miller , J. P. Palastro , D. H. Froula

Differentiable programming is a new programming paradigm which enables large scale optimization through automatic calculation of gradients also known as auto-differentiation. This concept emerges from deep learning, and has also been…

Quantum Physics · Physics 2022-02-01 Chenhua Geng , Hong-Ye Hu , Yijian Zou

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

In mathematics and computer algebra, automatic differentiation (AD) is a set of techniques to evaluate the derivative of a function specified by a computer program. AD exploits the fact that every computer program, no matter how…

Mathematical Software · Computer Science 2021-02-03 Vassil Vassilev , Aleksandr Efremov , Oksana Shadura

The ability to differentiate through optimization problems has unlocked numerous applications, from optimization-based layers in machine learning models to complex design problems formulated as bilevel programs. It has been shown that…

Optimization and Control · Mathematics 2024-03-05 Lucas Fuentes Valenzuela , Robin Brown , Marco Pavone

Several machine learning applications involve the optimization of higher-order derivatives (e.g., gradients of gradients) during training, which can be expensive in respect to memory and computation even with automatic differentiation. As a…

Machine Learning · Computer Science 2020-11-26 Tianyu Pang , Kun Xu , Chongxuan Li , Yang Song , Stefano Ermon , Jun Zhu

We introduce the Optimizing a Discrete Loss (ODIL) framework for the numerical solution of Partial Differential Equations (PDE) using machine learning tools. The framework formulates numerical methods as a minimization of discrete residuals…

Numerical Analysis · Mathematics 2024-01-23 Petr Karnakov , Sergey Litvinov , Petros Koumoutsakos

Automatic differentiation (AD) is a set of techniques that systematically applies the chain rule to compute the gradients of functions without requiring human intervention. Although the fundamentals of this technology were established…

Machine Learning · Computer Science 2025-09-03 Afif Boudaoud , Alexandru Calotoiu , Marcin Copik , Torsten Hoefler

Time-dependent Partial Differential Equations with given initial conditions are considered in this paper. New differentiation techniques of the unknown solution with respect to time variable are proposed. It is shown that the proposed…

Numerical Analysis · Mathematics 2022-10-24 Marat S. Mukhametzhanov

Large scale optimization problems are ubiquitous in machine learning and data analysis and there is a plethora of algorithms for solving such problems. Many of these algorithms employ sub-sampling, as a way to either speed up the…

Optimization and Control · Mathematics 2016-02-29 Farbod Roosta-Khorasani , Michael W. Mahoney

High dimensional and/or nonconvex optimization remains a challenging and important problem across a wide range of fields, such as machine learning, data assimilation, and partial differential equation (PDE) constrained optimization. Here we…

Optimization and Control · Mathematics 2025-08-29 Brian K. Tran , Ben S. Southworth , David B. Cavender , Sam Olivier , Syed A. Shah , Tommaso Buvoli

We present a system for the automatic differentiation of a higher-order functional array-processing language. The core functional language underlying this system simultaneously supports both source-to-source automatic differentiation and…

Mathematical Software · Computer Science 2018-06-07 Amir Shaikhha , Andrew Fitzgibbon , Dimitrios Vytiniotis , Simon Peyton Jones , Christoph Koch

When training large models, such as neural networks, the full derivatives of order 2 and beyond are usually inaccessible, due to their computational cost. Therefore, among the second-order optimization methods, it is common to bypass the…

Machine Learning · Computer Science 2025-10-01 Pierre Wolinski

Differentiable programming is a fresh programming paradigm which composes parameterized algorithmic components and trains them using automatic differentiation (AD). The concept emerges from deep learning but is not only limited to training…

Strongly Correlated Electrons · Physics 2019-09-11 Hai-Jun Liao , Jin-Guo Liu , Lei Wang , Tao Xiang

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

We demonstrate that automatic differentiation (AD), which has become commonly available in machine learning frameworks, is an efficient way to explore ideas that lead to algorithmic improvement in multi-scale affine image registration and…

Optimization and Control · Mathematics 2025-08-05 Warin Watson , Cash Cherry , Rachelle Lang