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We derive and implement a second-order adjoint method to compute exact gradients and Hessians for a prototypical quantum optimal control problem, that of solving for the minimal energy applied electric field that drives a molecule from a…

Quantum Physics · Physics 2025-05-02 Harish S. Bhat

Zeroth-order methods are extensively used in machine learning applications where gradients are infeasible or expensive to compute, such as black-box attacks, reinforcement learning, and language model fine-tuning. Existing optimization…

Machine Learning · Computer Science 2025-11-12 Liang Zhang , Bingcong Li , Kiran Koshy Thekumparampil , Sewoong Oh , Michael Muehlebach , Niao He

We develop a method for optimization in shape spaces, i.e., sets of surfaces modulo re-parametrization. Unlike previously proposed gradient flows, we achieve superlinear convergence rates through a subtle approximation of the shape Hessian,…

Computer Vision and Pattern Recognition · Computer Science 2014-04-15 J. Balzer , S. Soatto

As datasets grow it becomes infeasible to process them completely with a desired model. For giant datasets, we frame the order in which computation is performed as a decision problem. The order is designed so that partial computations are…

Computation · Statistics 2014-03-18 Daniel John Lawson , Niall M Adams

Bilevel optimization (BO) is useful for solving a variety of important machine learning problems including but not limited to hyperparameter optimization, meta-learning, continual learning, and reinforcement learning. Conventional BO…

Machine Learning · Computer Science 2022-09-20 Mao Ye , Bo Liu , Stephen Wright , Peter Stone , Qiang Liu

Estimation of the precision matrix (or inverse covariance matrix) is of great importance in statistical data analysis and machine learning. However, as the number of parameters scales quadratically with the dimension $p$, computation…

Computation · Statistics 2022-11-02 Qian LI , Binyan Jiang , Defeng Sun

In probabilistic modeling, parameter estimation is commonly formulated as a minimization problem on a parameter manifold. Optimization in such spaces requires geometry-aware methods that respect the underlying information structure. While…

Computation · Statistics 2025-11-17 Derun Zhou , Keisuke Yano , Mahito Sugiyama

We consider variants of a recently-developed Newton-CG algorithm for nonconvex problems \citep{royer2018newton} in which inexact estimates of the gradient and the Hessian information are used for various steps. Under certain conditions on…

Optimization and Control · Mathematics 2022-04-12 Zhewei Yao , Peng Xu , Fred Roosta , Stephen J. Wright , Michael W. Mahoney

In today's data driven world, storing, processing, and gleaning insights from large-scale data are major challenges. Data compression is often required in order to store large amounts of high-dimensional data, and thus, efficient inference…

Machine Learning · Statistics 2018-09-11 Denali Molitor , Deanna Needell

This paper proposes a novel distributed semismooth Newton based augmented Lagrangian method for solving a class of optimization problems over networks, where the global objective is defined as the sum of locally held cost functions, and…

Optimization and Control · Mathematics 2026-03-02 Qihao Ma , Chengjing Wang , Peipei Tang , Dunbiao Niu , Aimin Xu

Computing multivariate derivatives of matrix-like expressions in the compact, coordinate free fashion is very important for both theory and applied computations (e.g. optimization and machine learning). The critical components of such…

Symbolic Computation · Computer Science 2019-12-02 Maciej Skorski

Deep learning algorithms often require solving a highly non-linear and nonconvex unconstrained optimization problem. Methods for solving optimization problems in large-scale machine learning, such as deep learning and deep reinforcement…

Machine Learning · Computer Science 2019-09-06 Jacob Rafati , Roummel F. Marcia

Linear algebraic expressions are the essence of many computationally intensive problems, including scientific simulations and machine learning applications. However, translating high-level formulations of these expressions to efficient…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-03-22 Dániel Berényi , András Leitereg , Gábor Lehel

Many data-fitting applications require the solution of an optimization problem involving a sum of large number of functions of high dimensional parameter. Here, we consider the problem of minimizing a sum of $n$ functions over a convex…

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

An algorithm for a family of self-starting high-order implicit time integration schemes with controllable numerical dissipation is proposed for both linear and nonlinear transient problems. This work builds on the previous works of the…

Numerical Analysis · Mathematics 2024-09-23 Daniel O'Shea , Xiaoran Zhang , Shayan Mohammadian , Chongmin Song

The Heston model is a well-known two-dimensional financial model. Because the Heston model contains implicit parameters that cannot be determined directly from real market data, calibrating the parameters to real market data is challenging.…

Optimization and Control · Mathematics 2023-10-16 Anna Clevenhaus , Claudia Totzeck , Matthias Ehrhardt

Subsampled Newton methods approximate Hessian matrices through subsampling techniques, alleviating the cost of forming Hessian matrices but using sufficient curvature information. However, previous results require $\Omega (d)$ samples to…

Machine Learning · Statistics 2019-05-07 Xiang Li , Shusen Wang , Zhihua Zhang

In this paper, we suggest two ways of calculating interpolation models for unconstrained smooth nonlinear optimization when Hessian-vector products are available. The main idea is to interpolate the objective function using a quadratic on a…

Numerical Analysis · Mathematics 2019-12-24 Lili Song , Luis Nunes Vicente

Methods for solving scientific computing and inference problems, such as kernel- and neural network-based approaches for partial differential equations (PDEs), inverse problems, and supervised learning tasks, depend crucially on the choice…

Machine Learning · Statistics 2025-10-08 Nicholas H. Nelsen , Houman Owhadi , Andrew M. Stuart , Xianjin Yang , Zongren Zou

We here adapt an extended version of the adaptive cubic regularisation method with dynamic inexact Hessian information for nonconvex optimisation in [3] to the stochastic optimisation setting. While exact function evaluations are still…

Numerical Analysis · Mathematics 2020-09-15 Stefania Bellavia , Gianmarco Gurioli