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This paper provides a new avenue for exploiting deep neural networks to improve physics-based simulation. Specifically, we integrate the classic Lagrangian mechanics with a deep autoencoder to accelerate elastic simulation of deformable…

Machine Learning · Computer Science 2021-02-23 Siyuan Shen , Yang Yin , Tianjia Shao , He Wang , Chenfanfu Jiang , Lei Lan , Kun Zhou

Second-order continuous-time dissipative dynamical systems with viscous and Hessian driven damping have inspired effective first-order algorithms for solving convex optimization problems. While preserving the fast convergence properties of…

Optimization and Control · Mathematics 2022-03-18 Hedy Attouch , Jalal Fadili , Vyacheslav Kungurtsev

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

In this work we derive a second-order approach to bilevel optimization, a type of mathematical programming in which the solution to a parameterized optimization problem (the "lower" problem) is itself to be optimized (in the "upper"…

Optimization and Control · Mathematics 2022-05-06 Robert Dyro , Edward Schmerling , Nikos Arechiga , Marco Pavone

Second-order methods for neural network optimization have several advantages over methods based on first-order gradient descent, including better scaling to large mini-batch sizes and fewer updates needed for convergence. But they are…

Machine Learning · Computer Science 2017-12-21 Huishuai Zhang , Caiming Xiong , James Bradbury , Richard Socher

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

The Hessian-vector product has been utilized to find a second-order stationary solution with strong complexity guarantee (e.g., almost linear time complexity in the problem's dimensionality). In this paper, we propose to further reduce the…

Optimization and Control · Mathematics 2017-10-03 Mingrui Liu , Tianbao Yang

Second-order optimizers hold intriguing potential for deep learning, but suffer from increased cost and sensitivity to the non-convexity of the loss surface as compared to gradient-based approaches. We introduce a coordinate descent method…

Machine Learning · Computer Science 2020-06-19 Ravi G. Patel , Nathaniel A. Trask , Mamikon A. Gulian , Eric C. Cyr

Differentiable optimization layers enable learning systems to make decisions by solving embedded optimization problems. However, computing gradients via implicit differentiation requires solving a linear system with Hessian terms, which is…

Machine Learning · Computer Science 2025-12-03 Zihao Zhao , Kai-Chia Mo , Shing-Hei Ho , Brandon Amos , Kai Wang

Second derivatives of mathematical models for real-world phenomena are fundamental ingredients of a wide range of numerical simulation methods including parameter sensitivity analysis, uncertainty quantification, nonlinear optimization and…

Mathematical Software · Computer Science 2021-10-27 Uwe Naumann , Shubhaditya Burela

For a large class of variational quantum circuits, we show how arbitrary-order derivatives can be analytically evaluated in terms of simple parameter-shift rules, i.e., by running the same circuit with different shifts of the parameters. As…

Quantum Physics · Physics 2021-03-03 Andrea Mari , Thomas R. Bromley , Nathan Killoran

We develop a new algorithm for non-convex stochastic optimization that finds an $\epsilon$-critical point in the optimal $O(\epsilon^{-3})$ stochastic gradient and Hessian-vector product computations. Our algorithm uses Hessian-vector…

Machine Learning · Computer Science 2021-07-13 Hoang Tran , Ashok Cutkosky

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

Second-order partial differential equations in non-divergence form are considered. Equations of this kind typically arise as subproblems for the solution of Hamilton-Jacobi-Bellman equations in the context of stochastic optimal control, or…

Numerical Analysis · Mathematics 2020-08-13 Jan Blechschmidt , Roland Herzog , Max Winkler

Finite-sum optimization problems are ubiquitous in machine learning, and are commonly solved using first-order methods which rely on gradient computations. Recently, there has been growing interest in \emph{second-order} methods, which rely…

Optimization and Control · Mathematics 2017-03-09 Yossi Arjevani , Ohad Shamir

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

Scientific studies often require the precise calculation of derivatives. In many cases an analytical calculation is not feasible and one resorts to evaluating derivatives numerically. These are error-prone, especially for higher-order…

High Energy Physics - Phenomenology · Physics 2010-05-28 Mathias Wagner , Andrea Walther , Bernd-Jochen Schaefer

Finding the optimal hyperparameters of a model can be cast as a bilevel optimization problem, typically solved using zero-order techniques. In this work we study first-order methods when the inner optimization problem is convex but…

We develop and analyze several different second-order algorithms for computing a near-optimal solution path of a convex parametric optimization problem with smooth Hessian. Our algorithms are inspired by a differential equation perspective…

Optimization and Control · Mathematics 2023-06-16 Heyuan Liu , Paul Grigas

Discovering the underlying physical behavior of complex systems is a crucial, but less well-understood topic in many engineering disciplines. This study proposes a finite-difference inspired convolutional neural network framework to learn…

Machine Learning · Computer Science 2019-10-30 Nur Sila Gulgec , Zheng Shi , Neil Deshmukh , Shamim Pakzad , Martin Takáč
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