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Differentiable programming is revolutionizing computational science by enabling automatic differentiation (AD) of numerical simulations. While first-order gradients are well-established, second-order derivatives (Hessians) for implicit…

Computational Engineering, Finance, and Science · Computer Science 2025-05-20 Tianju Xue

An algorithm is proposed for solving optimization problems arising in neural network training for supervised learning. The unique feature of the algorithm is the use of an auxiliary loss, in addition to the original loss employed for model…

Optimization and Control · Mathematics 2026-05-11 Yunlang Zhu , Lingjun Guo , Zahra Khatti , Xiaoyi Qu , Chia-Yuan Wu , Lara Zebiane , Frank E. Curtis

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

This paper presents a new optimisation approach to train Deep Neural Networks (DNNs) with discriminative sequence criteria. At each iteration, the method combines information from the Natural Gradient (NG) direction with local curvature…

Machine Learning · Computer Science 2018-10-05 Adnan Haider , P. C. Woodland

Adaptive optimizers, such as Adam, have achieved remarkable success in deep learning. A key component of these optimizers is the so-called preconditioning matrix, providing enhanced gradient information and regulating the step size of each…

Machine Learning · Computer Science 2024-12-10 Yun Yue , Zhiling Ye , Jiadi Jiang , Yongchao Liu , Ke Zhang

The Lie group SE(3) of isometric orientation preserving transformation is used for modeling multibody systems, robots, and Cosserat continua. The use of these models in numerical simulation and optimization schemes necessitates the…

Group Theory · Mathematics 2026-04-27 Andreas Mueller

Optimizing neural networks with loss that contain high-dimensional and high-order differential operators is expensive to evaluate with back-propagation due to $\mathcal{O}(d^{k})$ scaling of the derivative tensor size and the…

Machine Learning · Computer Science 2025-01-14 Zekun Shi , Zheyuan Hu , Min Lin , Kenji Kawaguchi

This article explores how to effectively incorporate curvature information generated using SIMD-parallel forward-mode Algorithmic Differentiation (AD) into unconstrained Quasi-Newton (QN) minimization of a smooth objective function, $f$.…

Optimization and Control · Mathematics 2022-01-10 Joy Azzam , Daniel Henderson , Benjamin Ong , Allan Struthers

Training deep neural network is a high dimensional and a highly non-convex optimization problem. Stochastic gradient descent (SGD) algorithm and it's variations are the current state-of-the-art solvers for this task. However, due to…

Machine Learning · Computer Science 2017-01-17 Xi He , Dheevatsa Mudigere , Mikhail Smelyanskiy , Martin Takáč

High-order Lie derivatives are essential in nonlinear systems analysis. If done symbolically, their evaluation becomes increasingly expensive as the order increases. We present a compact and efficient numerical approach for computing Lie…

Numerical Analysis · Mathematics 2026-01-19 Nedialko S. Nedialkov , John D. Pryce

Despite their popularity in the field of continuous optimisation, second-order quasi-Newton methods are challenging to apply in machine learning, as the Hessian matrix is intractably large. This computational burden is exacerbated by the…

Machine Learning · Computer Science 2024-02-28 Elre T. Oldewage , Ross M. Clarke , José Miguel Hernández-Lobato

It is commonly assumed that calculating third order information is too expensive for most applications. But we show that the directional derivative of the Hessian ($D^3f(x)\cdot d$) can be calculated at a cost proportional to that of a…

Mathematical Software · Computer Science 2014-12-30 Robert M. Gower , Artur L. Gower

We derive a sound positive semi-definite approximation of the Hessian of deep models for which Hessian-vector products are easily computable. This enables us to provide an adaptive SGD learning rate strategy based on the minimization of the…

Machine Learning · Computer Science 2023-05-29 Dario Balboni , Davide Bacciu

Algorithmic differentiation (AD) tools allow to obtain gradient information of a continuously differentiable objective function in a computationally cheap way using the so-called backward mode. It is common practice to use the same tools…

Optimization and Control · Mathematics 2024-12-02 Lukas Baumgärtner , Franz Bethke

We present a technique for applying (forward and) reverse-mode automatic differentiation (AD) on a non-recursive second-order functional array language that supports nested parallelism and is primarily aimed at efficient GPU execution. The…

Programming Languages · Computer Science 2022-02-22 Robert Schenck , Ola Rønning , Troels Henriksen , Cosmin E. Oancea

The Hessian-vector product computation appears in many scientific applications such as in optimization and finite element modeling. Often there is a need for computing Hessian-vector products at many data points concurrently. We propose an…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-10-31 Desh Ranjan , Mohammad Zubair

This paper is concerned with the efficient evaluation of higher-order derivatives of functions $f$ that are composed of matrix operations. I.e., we want to compute the $D$-th derivative tensor $\nabla^D f(X) \in \mathbb R^{N^D}$, where…

Data Structures and Algorithms · Computer Science 2016-09-08 Sebastian F. Walter

While the superior performance of second-order optimization methods such as Newton's method is well known, they are hardly used in practice for deep learning because neither assembling the Hessian matrix nor calculating its inverse is…

Machine Learning · Computer Science 2020-09-16 Siyuan Shen , Tianjia Shao , Kun Zhou , Chenfanfu Jiang , Feng Luo , Yin Yang

In this work, we develop first-order (Hessian-free) and zero-order (derivative-free) implementations of the Cubically regularized Newton method for solving general non-convex optimization problems. For that, we employ finite difference…

Optimization and Control · Mathematics 2023-09-06 Nikita Doikov , Geovani Nunes Grapiglia

We consider minimizing finite-sum and expectation objective functions via Hessian-averaging based subsampled Newton methods. These methods allow for gradient inexactness and have fixed per-iteration Hessian approximation costs. The recent…

Optimization and Control · Mathematics 2024-08-15 Thomas O'Leary-Roseberry , Raghu Bollapragada
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