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Molecule optimization is an important problem in chemical discovery and has been approached using many techniques, including generative modeling, reinforcement learning, genetic algorithms, and much more. Recent work has also applied…

Biomolecules · Quantitative Biology 2022-10-31 Elvin Lo , Pin-Yu Chen

In many real-world problems, first-order (FO) derivative evaluations are too expensive or even inaccessible. For solving these problems, zeroth-order (ZO) methods that only need function evaluations are often more efficient than FO methods…

Optimization and Control · Mathematics 2021-12-22 Zichong Li , Pin-Yu Chen , Sijia Liu , Songtao Lu , Yangyang Xu

$\ell_0$ constrained optimization is prevalent in machine learning, particularly for high-dimensional problems, because it is a fundamental approach to achieve sparse learning. Hard-thresholding gradient descent is a dominant technique to…

Machine Learning · Computer Science 2024-03-19 William de Vazelhes , Hualin Zhang , Huimin Wu , Xiao-Tong Yuan , Bin Gu

To solve unmodeled optimization problems with hard constraints, this paper proposes a novel zeroth-order approach called Safe Zeroth-order Optimization using Linear Programs (SZO-LP). The SZO-LP method solves a linear program in each…

Optimization and Control · Mathematics 2023-04-05 Baiwei Guo , Yang Wang , Yuning Jiang , Maryam Kamgarpour , Giancarlo Ferrari-Trecate

Verifying the Second-Order Sufficient Condition (SOSC), thus ensuring a stationary point locally minimizes a given objective function (subject to certain constraints), is an essential component of non-convex computational optimization and…

Optimization and Control · Mathematics 2011-06-07 W. Ross Morrow

This paper proposes a homogeneous second-order descent framework (HSODF) for nonconvex and convex optimization based on the generalized homogeneous model (GHM). In comparison to the Newton steps, the GHM can be solved by extremal symmetric…

Optimization and Control · Mathematics 2025-05-13 Chang He , Yuntian Jiang , Chuwen Zhang , Dongdong Ge , Bo Jiang , Yinyu Ye

A new, fast second-order method is proposed that achieves the optimal $\mathcal{O}\left(|\log(\epsilon)|\epsilon^{-3/2}\right)$ complexity to obtain first-order $\epsilon$-stationary points. Crucially, this is deduced without assuming the…

Optimization and Control · Mathematics 2026-02-18 Serge Gratton , Sadok Jerad , Philippe L. Toint

We design an algorithm which finds an $\epsilon$-approximate stationary point (with $\|\nabla F(x)\|\le \epsilon$) using $O(\epsilon^{-3})$ stochastic gradient and Hessian-vector products, matching guarantees that were previously available…

Machine Learning · Computer Science 2020-06-25 Yossi Arjevani , Yair Carmon , John C. Duchi , Dylan J. Foster , Ayush Sekhari , Karthik Sridharan

Zeroth-order (ZO) optimization has emerged as a promising alternative to gradient-based backpropagation methods, particularly for black-box optimization and large language model (LLM) fine-tuning. However, ZO methods often suffer from slow…

Machine Learning · Computer Science 2025-05-26 Sihwan Park , Jihun Yun , SungYub Kim , Souvik Kundu , Eunho Yang

Derivative-free - or zeroth-order - optimization (DFO) has gained recent attention for its ability to solve problems in a variety of application areas, including machine learning, particularly involving objectives which are stochastic…

Optimization and Control · Mathematics 2020-08-04 Coralia Cartis , Tyler Ferguson , Lindon Roberts

In this study, we consider an optimization problem with uncertainty dependent on decision variables, which has recently attracted attention due to its importance in machine learning and pricing applications. In this problem, the gradient of…

Optimization and Control · Mathematics 2024-12-31 Yuya Hikima , Akiko Takeda

Finding approximate stationary points, i.e., points where the gradient is approximately zero, of non-convex but smooth objective functions $f$ over unrestricted $d$-dimensional domains is one of the most fundamental problems in classical…

Optimization and Control · Mathematics 2024-09-13 Alexandros Hollender , Manolis Zampetakis

Saddle points constitute a crucial challenge for first-order gradient descent algorithms. In notions of classical machine learning, they are avoided for example by means of stochastic gradient descent methods. In this work, we provide…

Quantum Physics · Physics 2025-05-26 Junyu Liu , Frederik Wilde , Antonio Anna Mele , Xin Jin , Liang Jiang , Jens Eisert

Recently, saddle point problems have received much attention due to their powerful modeling capability for a lot of problems from diverse domains. Applications of these problems occur in many applied areas, such as robust optimization,…

Optimization and Control · Mathematics 2022-02-15 Mohammad Alkousa , Alexander Gasnikov , Pavel Dvurechensky , Abdurakhmon Sadiev , Lama Razouk

Recent years have seen increased interest in performance guarantees of gradient descent algorithms for non-convex optimization. A number of works have uncovered that gradient noise plays a critical role in the ability of gradient descent…

Optimization and Control · Mathematics 2019-08-21 Stefan Vlaski , Ali H. Sayed

A class of second-order algorithms is proposed for minimizing smooth nonconvex functions that alternates between regularized Newton and negative curvature steps in an iteration-dependent subspace. In most cases, the Hessian matrix is…

Optimization and Control · Mathematics 2023-08-22 Serge Gratton , Sadok Jerad , Philippe L. Toint

Matrix sensing problems exhibit pervasive non-convexity, plaguing optimization with a proliferation of suboptimal spurious solutions. Avoiding convergence to these critical points poses a major challenge. This work provides new theoretical…

Optimization and Control · Mathematics 2024-03-12 Ziye Ma , Ying Chen , Javad Lavaei , Somayeh Sojoudi

In the paper, we generalize the approach Gasnikov et. al, 2017, which allows to solve (stochastic) convex optimization problems with an inexact gradient-free oracle, to the convex-concave saddle-point problem. The proposed approach works,…

Optimization and Control · Mathematics 2022-09-13 Aleksandr Beznosikov , Abdurakhmon Sadiev , Alexander Gasnikov

We propose a new framework for analyzing zeroth-order optimization (ZOO) from the perspective of \emph{oblivious randomized sketching}.In this framework, commonly used gradient estimators in ZOO-such as finite difference (FD) and random…

Optimization and Control · Mathematics 2025-10-14 Haishan Ye , Xiangyu Chang , Xi Chen

In this paper, we study the standard formulation of an optimization problem when the computation of gradient is not available. Such a problem can be classified as a "black box" optimization problem, since the oracle returns only the value…

Optimization and Control · Mathematics 2024-09-30 Aleksandr Lobanov , Nail Bashirov , Alexander Gasnikov