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We present a reusable, open-source software implementation of the second-order trust region algorithm in the new OpenTrustRegion library. We apply the implementation to the general-purpose optimization of molecular orbitals in various…

Chemical Physics · Physics 2025-12-10 Jonas Greiner , Ida-Marie Høyvik , Susi Lehtola , Janus J. Eriksen

This paper delves into stochastic optimization problems that involve Markovian noise. We present a unified approach for the theoretical analysis of first-order gradient methods for stochastic optimization and variational inequalities. Our…

Optimization and Control · Mathematics 2024-04-02 Aleksandr Beznosikov , Sergey Samsonov , Marina Sheshukova , Alexander Gasnikov , Alexey Naumov , Eric Moulines

Many large-scale optimization problems arising in science and engineering are naturally defined at multiple levels of discretization or model fidelity. Multilevel methods exploit this hierarchy to accelerate convergence by combining coarse-…

Optimization and Control · Mathematics 2025-12-02 Robert Baraldi , Michael Hintermüller , Qi Wang

This paper is devoted to the study (common in many applications) of the black-box optimization problem, where the black-box represents a gradient-free oracle $\tilde{f} = f(x) + \xi$ providing the objective function value with some…

Optimization and Control · Mathematics 2024-07-08 Aleksandr Lobanov

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

Zeroth-order optimization, which does not use derivative information, is one of the significant research areas in the field of mathematical optimization and machine learning. Although various studies have explored zeroth-order algorithms,…

Optimization and Control · Mathematics 2024-07-16 Ryota Nozawa , Pierre-Louis Poirion , Akiko Takeda

Algorithms for bandit convex optimization and online learning often rely on constructing noisy gradient estimates, which are then used in appropriately adjusted first-order algorithms, replacing actual gradients. Depending on the properties…

Machine Learning · Computer Science 2020-07-07 Xiaowei Hu , Prashanth L. A. , András György , Csaba Szepesvári

We develop and analyze a method for stochastic simulation optimization based on Gaussian process models within a trust-region framework. We focus on settings where the variance of the objective function is large, making accurate estimation…

Optimization and Control · Mathematics 2026-03-10 Mickael Binois , Jeffrey Larson

Zeroth-order optimization methods are developed to overcome the practical hurdle of having knowledge of explicit derivatives. Instead, these schemes work with merely access to noisy functions evaluations. One of the predominant approaches…

Optimization and Control · Mathematics 2022-08-22 Wouter Jongeneel

Linear programming relaxations are central to {\sc map} inference in discrete Markov Random Fields. The ability to properly solve the Lagrangian dual is a critical component of such methods. In this paper, we study the benefit of using…

Computer Vision and Pattern Recognition · Computer Science 2017-09-06 Hariprasad Kannan , Nikos Komodakis , Nikos Paragios

Rapid advances in data collection and processing capabilities have allowed for the use of increasingly complex models that give rise to nonconvex optimization problems. These formulations, however, can be arbitrarily difficult to solve in…

Multiagent Systems · Computer Science 2020-04-01 Stefan Vlaski , Ali H. Sayed

Recently, Arjevani et al. [1] established a lower bound of iteration complexity for the first-order optimization under an $L$-smooth condition and a bounded noise variance assumption. However, a thorough review of existing literature on…

Machine Learning · Computer Science 2023-10-30 Bohan Wang , Jingwen Fu , Huishuai Zhang , Nanning Zheng , Wei Chen

High-probability analysis of stochastic first-order optimization methods under mild assumptions on the noise has been gaining a lot of attention in recent years. Typically, gradient clipping is one of the key algorithmic ingredients to…

We introduce a detailed analysis of the convergence of first-order methods with composite noise (sum of relative and absolute) in gradient for convex and smooth function minimization. This paper illustrates instances of practical problems…

Optimization and Control · Mathematics 2026-03-16 Artem Vasin , Alexander Gasnikov

Performance analysis of first-order algorithms with inexact oracles has gained recent attention due to various emerging applications in which obtaining exact gradients is impossible or computationally expensive. Previous research has…

Optimization and Control · Mathematics 2025-10-15 Yin Liu , Sam Davanloo Tajbakhsh

In this work, we present a one-step second-order converger for state-specific (SS) and state-averaged (SA) complete active space self-consistent field (CASSCF) wave functions. Robust convergence is achieved through step restrictions using a…

Chemical Physics · Physics 2022-06-08 Benjamin Helmich-Paris

In this paper we analyze the necessary number of samples to estimate the gradient of any multidimensional smooth (possibly non-convex) function in a zero-order stochastic oracle model. In this model, an estimator has access to noisy values…

Machine Learning · Computer Science 2021-07-07 Abdulrahman Alabdulkareem , Jean Honorio

We investigate a trust-region algorithm to solve a nonconvex optimization problem with $L^p$-regularization for $p\in(0,1)$. The algorithm relies on descent properties of a so-called generalized Cauchy point that can be obtained efficiently…

Optimization and Control · Mathematics 2025-08-22 Harbir Antil , Anna Lentz

We develop a trust-region method for efficiently minimizing the sum of a smooth function, a nonsmooth convex function, and the composition of a finite-valued support function with a smooth function. Optimization problems with this structure…

Optimization and Control · Mathematics 2026-04-09 Drew P. Kouri

We propose a nonsmooth trust-region method for solving optimization problems with locally Lipschitz continuous functions, with application to problems constrained by variational inequalities of the second kind. Under suitable assumptions on…

Optimization and Control · Mathematics 2018-01-17 Constantin Christof , Juan Carlos De Los Reyes , Christian Meyer