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The Hessian matrix (second derivatives) encodes far richer local curvature of the potential energy surface than energies and forces alone. However, training machine-learning interatomic potentials (MLIPs) with full Hessians is often…

We consider escaping saddle points of nonconvex problems where only the function evaluations can be accessed. Although a variety of works have been proposed, the majority of them require either second or first-order information, and only a…

Optimization and Control · Mathematics 2022-10-05 Hualin Zhang , Huan Xiong , Bin Gu

Higher-order singular value decomposition (HOSVD) is an efficient way for data reduction and also eliciting intrinsic structure of multi-dimensional array data. It has been used in many applications, and some of them involve incomplete…

Numerical Analysis · Mathematics 2016-08-11 Yangyang Xu

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

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

Influence functions offer a principled way to trace model predictions back to training data, but their use in deep learning is hampered by the need to invert a large, ill-conditioned Hessian matrix. Approximations such as Generalised…

Machine Learning · Computer Science 2026-02-17 Steve Hong , Runa Eschenhagen , Bruno Mlodozeniec , Richard Turner

Second-order information -- such as curvature or data covariance -- is critical for optimisation, diagnostics, and robustness. However, in many modern settings, only the gradients are observable. We show that the gradients alone can reveal…

Machine Learning · Computer Science 2026-04-08 Arash Jamshidi , Katsiaryna Haitsiukevich , Kai Puolamäki

We consider a standard distributed consensus optimization problem where a set of agents connected over an undirected network minimize the sum of their individual local strongly convex costs. Alternating Direction Method of Multipliers ADMM…

Optimization and Control · Mathematics 2022-04-07 Dusan Jakovetic , Natasa Krejic , Natasa Krklec Jerinkic

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

Variance-reduced gradient estimators for policy gradient methods have been one of the main focus of research in the reinforcement learning in recent years as they allow acceleration of the estimation process. We propose a variance-reduced…

Machine Learning · Computer Science 2023-11-28 Saber Salehkaleybar , Sadegh Khorasani , Negar Kiyavash , Niao He , Patrick Thiran

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

First-order optimization methods, such as SGD and Adam, are widely used for training large-scale deep neural networks due to their computational efficiency and robust performance. However, relying solely on gradient information, these…

Machine Learning · Computer Science 2025-07-29 Yue Hu , Zanxia Cao , Yingchao Liu

The main tool to study a second order optimality problem is the Hessian operator associated to the cost function that defines the optimization problem. By regarding an orthogonal Stiefel manifold as a constraint manifold embedded in an…

Numerical Analysis · Mathematics 2020-07-03 Petre Birtea , Ioan Casu , Dan Comanescu

Optimizing tensor networks with standard first-order methods often leads to slow convergence and entrapment in local minima. Although second-order optimization offers enhanced robustness, explicitly constructing the full Hessian matrix is…

Quantum Physics · Physics 2026-04-23 Isabel Nha Minh Le , Roeland Wiersema , Christian B. Mendl

This paper addresses second-order stochastic optimization for estimating the minimizer of a convex function written as an expectation. A direct recursive estimation technique for the inverse Hessian matrix using a Robbins-Monro procedure is…

Optimization and Control · Mathematics 2025-03-11 Antoine Godichon-Baggioni , Wei Lu , Bruno Portier

Optimization in Deep Learning is mainly dominated by first-order methods which are built around the central concept of backpropagation. Second-order optimization methods, which take into account the second-order derivatives are far less…

Machine Learning · Computer Science 2021-04-09 Fares B. Mehouachi , Chaouki Kasmi

Stochastic approximation (SA) algorithms have been widely applied in minimization problems when the loss functions and/or the gradient information are only accessible through noisy evaluations. Stochastic gradient (SG) descent---a…

Optimization and Control · Mathematics 2019-08-26 Jingyi Zhu , Long Wang , James C. Spall

Leveraging second-order information about the loss at the scale of deep networks is one of the main lines of approach for improving the performance of current optimizers for deep learning. Yet, existing approaches for accurate full-matrix…

Machine Learning · Computer Science 2024-06-06 Ionut-Vlad Modoranu , Aleksei Kalinov , Eldar Kurtic , Elias Frantar , Dan Alistarh

We propose a novel general algorithm LHAC that efficiently uses second-order information to train a class of large-scale l1-regularized problems. Our method executes cheap iterations while achieving fast local convergence rate by exploiting…

Machine Learning · Statistics 2013-03-28 Xiaocheng Tang , Katya Scheinberg

Inspired by the recent work FedNL (Safaryan et al, FedNL: Making Newton-Type Methods Applicable to Federated Learning), we propose a new communication efficient second-order framework for Federated learning, namely FLECS. The proposed…

Optimization and Control · Mathematics 2022-06-07 Artem Agafonov , Dmitry Kamzolov , Rachael Tappenden , Alexander Gasnikov , Martin Takáč
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