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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

Gradient-based methods are well-suited for derivative-free optimization (DFO), where finite-difference (FD) estimates are commonly used as gradient surrogates. Traditional stochastic approximation methods, such as Kiefer-Wolfowitz (KW) and…

Optimization and Control · Mathematics 2025-03-03 Guo Liang , Guangwu Liu , Kun Zhang

Zeroth-order (ZO) optimization is an emerging deep neural network (DNN) training paradigm that offers computational simplicity and memory savings. However, this seemingly promising approach faces a significant and long-ignored challenge. ZO…

Machine Learning · Computer Science 2025-07-28 Qitao Tan , Sung-En Chang , Rui Xia , Huidong Ji , Chence Yang , Ci Zhang , Jun Liu , Zheng Zhan , Zhenman Fang , Zhou Zou , Yanzhi Wang , Jin Lu , Geng Yuan

Evolutionary algorithms provide gradient-free optimisation which is beneficial for models that have difficulty in obtaining gradients; for instance, geoscientific landscape evolution models. However, such models are at times computationally…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-06-28 Rohitash Chandra , Yash Vardhan Sharma

Federated learning (FL) has emerged as a distributed machine learning (ML) technique that can protect local data privacy for participating clients and improve system efficiency. Instead of sharing raw data, FL exchanges intermediate…

Information Theory · Computer Science 2025-08-26 Xiang Ma , Haijian Sun , Rose Qingyang Hu , Yi Qian

Bayesian Optimization (BO) is a powerful method for optimizing black-box functions by combining prior knowledge with ongoing function evaluations. BO constructs a probabilistic surrogate model of the objective function given the covariates,…

Machine Learning · Statistics 2025-08-26 Roi Naveiro , Becky Tang

A new technique of global optimization and its applications in particular to neural networks are presented. The algorithm is also compared to other global optimization algorithms such as Gradient descent (GD), Monte Carlo (MC), Genetic…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-12-18 Homayoun Valafar , Okan K. Ersoy , Faramarz Valafar

Non-independent and identically distributed (Non-IID) data across edge clients have long posed significant challenges to federated learning (FL) training in edge computing environments. Prior works have proposed various methods to mitigate…

Machine Learning · Computer Science 2025-04-25 Weijie Liu , Ziwei Zhan , Carlee Joe-Wong , Edith Ngai , Jingpu Duan , Deke Guo , Xu Chen , Xiaoxi Zhang

Distributed learning algorithms aim to leverage distributed and diverse data stored at users' devices to learn a global phenomena by performing training amongst participating devices and periodically aggregating their local models'…

Machine Learning · Computer Science 2021-02-04 Naram Mhaisen , Alaa Awad , Amr Mohamed , Aiman Erbad , Mohsen Guizani

Fractional Gradient Descent (FGD) offers a novel and promising way to accelerate optimization by incorporating fractional calculus into machine learning. Although FGD has shown encouraging initial results across various optimization tasks,…

Machine Learning · Computer Science 2025-10-22 Jan Sobotka , Petr Šimánek , Pavel Kordík

Federated learning (FL) is a subfield of machine learning where multiple clients try to collaboratively learn a model over a network under communication constraints. We consider finite-sum federated optimization under a second-order…

Machine Learning · Computer Science 2023-05-24 Ahmed Khaled , Chi Jin

Federated Learning (FL) is a privacy-protected machine learning paradigm that allows model to be trained directly at the edge without uploading data. One of the biggest challenges faced by FL in practical applications is the heterogeneity…

Machine Learning · Computer Science 2021-08-20 Zirui Zhu , Ziyi Ye

Efficient optimization remains a fundamental challenge across numerous scientific and engineering domains, especially when objective function and gradient evaluations are computationally expensive. While zeroth-order optimization methods…

Machine Learning · Computer Science 2025-11-04 Nuojin Cheng , Alireza Doostan , Stephen Becker

In this paper, we study optimization methods consisting of iteratively minimizing surrogates of an objective function. By proposing several algorithmic variants and simple convergence analyses, we make two main contributions. First, we…

Machine Learning · Statistics 2013-05-15 Julien Mairal

In offline data-driven multi-objective optimization (MOO), optimization is performed using surrogate models trained only on an offline dataset. These surrogate models contain inherent errors and uncertainty. This epistemic uncertainty can…

Neural and Evolutionary Computing · Computer Science 2026-04-30 Huanbo Lyu , Miqing Li , Shiqiao Zhou , Daniel Herring , Jelena Ninic , Zheming Zuo , Lingfeng Wang , James Andrews , Fabian Spill , Shuo Wang

Learning from the collective knowledge of data dispersed across private sources can provide neural networks with enhanced generalization capabilities. Federated learning, a method for collaboratively training a machine learning model across…

Machine Learning · Computer Science 2024-05-20 Matt Gorbett , Hossein Shirazi , Indrakshi Ray

Federated learning (FL) is a distributed learning methodology that allows multiple nodes to cooperatively train a deep learning model, without the need to share their local data. It is a promising solution for telemonitoring systems that…

Machine Learning · Computer Science 2021-07-15 Alaa Awad Abdellatif , Naram Mhaisen , Amr Mohamed , Aiman Erbad , Mohsen Guizani , Zaher Dawy , Wassim Nasreddine

Federated Learning (FL) confronts a significant challenge known as data heterogeneity, which impairs model performance and convergence. Existing methods have made notable progress in addressing this issue. However, improving performance in…

Machine Learning · Computer Science 2025-10-24 Zhiqin Yang , Yonggang Zhang , Chenxin Li , Yiu-ming Cheung , Bo Han , Yixuan Yuan

In this paper we analyze a zeroth-order proximal stochastic gradient method suitable for the minimization of weakly convex stochastic optimization problems. We consider nonsmooth and nonlinear stochastic composite problems, for which…

Optimization and Control · Mathematics 2025-04-21 Spyridon Pougkakiotis , Dionysios S. Kalogerias

Split Federated Learning (SFL) enables collaborative training between resource-constrained edge devices and a compute-rich server. Communication overhead is a central issue in SFL and can be mitigated with auxiliary networks. Yet, the…

Machine Learning · Computer Science 2026-01-15 Zhoubin Kou , Zihan Chen , Jing Yang , Cong Shen