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PLUMED is an open-source software package that is widely used for analyzing and enhancing molecular dynamics simulations that works in conjunction with most available molecular dynamics softwares. While the computational cost of PLUMED…

This study introduces the LPBSA, an advanced optimization algorithm that combines Learner Performance-based Behavior (LPB) and Simulated Annealing (SA) in a hybrid approach. Emphasizing metaheuristics, the LPBSA addresses and mitigates the…

神经与进化计算 · 计算机科学 2025-01-29 Dana R. Hamad , Tarik A. Rashid

Because the choice and tuning of the optimizer affects the speed, and ultimately the performance of deep learning, there is significant past and recent research in this area. Yet, perhaps surprisingly, there is no generally agreed-upon…

机器学习 · 计算机科学 2019-03-14 Frank Schneider , Lukas Balles , Philipp Hennig

PHYSBO (optimization tools for PHYSics based on Bayesian Optimization) is a Python library for fast and scalable Bayesian optimization. It has been developed mainly for application in the basic sciences such as physics and materials…

计算物理 · 物理学 2022-05-26 Yuichi Motoyama , Ryo Tamura , Kazuyoshi Yoshimi , Kei Terayama , Tsuyoshi Ueno , Koji Tsuda

Disassembly of binary code is hard, but necessary for improving the security of binary software. Over the past few decades, research in binary disassembly has produced many tools and frameworks, which have been made available to researchers…

密码学与安全 · 计算机科学 2020-07-29 Chengbin Pang , Ruotong Yu , Yaohui Chen , Eric Koskinen , Georgios Portokalidis , Bing Mao , Jun Xu

This report offers a comprehensive analysis of the evolving landscape of quantum algorithm software specifically tailored for condensed matter physics. It examines fundamental quantum algorithms such as Variational Quantum Eigensolver…

强关联电子 · 物理学 2025-06-19 T. Farajollahpour

This article aims to provide a comprehensive overview of sparse optimization, with a focus on both sparse signal recovery and sparse regularization techniques. We will begin by exploring the foundations of sparse optimization, delving into…

历史与综述 · 数学 2026-01-13 Jun Lu

In this paper, we focus on solving an important class of nonconvex optimization problems which includes many problems for example signal processing over a networked multi-agent system and distributed learning over networks. Motivated by…

最优化与控制 · 数学 2018-10-25 Ehsan Kazemi , Liqiang Wang

The growing usage of research software in the research community has highlighted the need to recognize and acknowledge the contributions made not only by researchers but also by Research Software Engineers. However, the existing methods for…

软件工程 · 计算机科学 2024-06-05 Deekshitha , Siamak Farshidi , Jason Maassen , Rena Bakhshi , Rob van Nieuwpoort , Slinger Jansen

We consider the challenge of black-box optimization within hybrid discrete-continuous and variable-length spaces, a problem that arises in various applications, such as decision tree learning and symbolic regression. We propose DisCo-DSO…

机器学习 · 计算机科学 2024-12-17 Jacob F. Pettit , Chak Shing Lee , Jiachen Yang , Alex Ho , Daniel Faissol , Brenden Petersen , Mikel Landajuela

We introduce a new framework for analyzing (Quasi-}Newton type methods applied to non-smooth optimization problems. The source of randomness comes from the evaluation of the (approximation) of the Hessian. We derive, using a variant of…

最优化与控制 · 数学 2025-03-05 Titus Pinta

According to the published papers and books since the turn of the century, Pareto optimization is the dominating assessment method for multi-objective nonlinear optimization problems treated by population-based optimizers like Evolutionary…

神经与进化计算 · 计算机科学 2022-03-08 Wilfried Jakob , Christian Blume

This paper introduces a novel method for finding integer sets that satisfy the Pythagorean theorem by leveraging the Higher-Order Binary Optimization (HOBO) formulation. Unlike the Quadratic Unconstrained Binary Optimization (QUBO)…

最优化与控制 · 数学 2024-08-22 Shoya Yasuda , Naoaki Mochida , Shunsuke Sotobayashi , Devanshu Garg , Yuichiro Minato

This paper highlights new opportunities for designing large-scale machine learning systems as a consequence of blurring traditional boundaries that have allowed algorithm designers and application-level practitioners to stay -- for the most…

机器学习 · 计算机科学 2014-09-10 Suyog Gupta , Vikas Sindhwani , Kailash Gopalakrishnan

Combinatorial optimization is a challenging problem applicable in a wide range of fields from logistics to finance. Recently, quantum computing has been used to attempt to solve these problems using a range of algorithms, including…

量子物理 · 物理学 2024-03-06 Jonathan Wurtz , Stefan Sack , Sheng-Tao Wang

In this work, we consider methods for solving large-scale optimization problems with a possibly nonsmooth objective function. The key idea is to first specify a class of optimization algorithms using a generic iterative scheme involving…

最优化与控制 · 数学 2020-02-19 Sebastian Banert , Axel Ringh , Jonas Adler , Johan Karlsson , Ozan Öktem

Hyperparameter optimization and neural architecture search can become prohibitively expensive for regular black-box Bayesian optimization because the training and evaluation of a single model can easily take several hours. To overcome this,…

Zeroth-order (ZO) optimization enables dimension-free communication in federated learning (FL), making it attractive for fine-tuning of large language models (LLMs) due to significant communication savings. However, existing ZO-FL methods…

机器学习 · 计算机科学 2026-02-03 Zhe Li , Bicheng Ying , Zidong Liu , Chaosheng Dong , Haibo Yang

We consider the problem of optimizing a high-dimensional convex function using stochastic zeroth-order queries. Under sparsity assumptions on the gradients or function values, we present two algorithms: a successive component/feature…

机器学习 · 统计学 2018-02-27 Yining Wang , Simon Du , Sivaraman Balakrishnan , Aarti Singh

Despite all the benefits of automated hyperparameter optimization (HPO), most modern HPO algorithms are black-boxes themselves. This makes it difficult to understand the decision process which leads to the selected configuration, reduces…

机器学习 · 计算机科学 2023-02-14 Julia Moosbauer , Giuseppe Casalicchio , Marius Lindauer , Bernd Bischl
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