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Production systems use heuristics because they are faster or scale better than their optimal counterparts. Yet, practitioners are often unaware of the performance gap between a heuristic and the optimum or between two heuristics in…

Networking and Internet Architecture · Computer Science 2023-11-22 Pooria Namyar , Behnaz Arzani , Ryan Beckett , Santiago Segarra , Himanshu Raj , Umesh Krishnaswamy , Ramesh Govindan , Srikanth Kandula

Modern machine learning algorithms crucially rely on several design decisions to achieve strong performance, making the problem of Hyperparameter Optimization (HPO) more important than ever. Here, we combine the advantages of the popular…

Machine Learning · Computer Science 2021-10-22 Noor Awad , Neeratyoy Mallik , Frank Hutter

Global optimization solves real-world problems numerically or analytically by minimizing their objective functions. Most of the analytical algorithms are greedy and computationally intractable. Metaheuristics are nature-inspired…

Artificial Intelligence · Computer Science 2021-02-04 Farouq Zitouni , Saad Harous , Abdelghani Belkeram , Lokman Elhakim Baba Hammou

Anticipating the low energy arrangements of atoms in space is an indispensable scientific task. Modern stochastic approaches to searching for these configurations depend on the optimisation of structures to nearby local minima in the energy…

Materials Science · Physics 2019-02-07 Chris J. Pickard

We investigate online convex optimization in non-stationary environments and choose dynamic regret as the performance measure, defined as the difference between cumulative loss incurred by the online algorithm and that of any feasible…

Machine Learning · Computer Science 2024-04-09 Peng Zhao , Yu-Jie Zhang , Lijun Zhang , Zhi-Hua Zhou

The Exponential Moving Average (EMA) is a cornerstone of widely used optimizers such as Adam. However, existing theoretical analyses of Adam-style methods have notable limitations: their guarantees can remain suboptimal in the zero-noise…

Machine Learning · Computer Science 2026-04-17 Ganzhao Yuan

We investigate the sample-memory-pass trade-offs for pure exploration in multi-pass streaming multi-armed bandits (MABs) with the *a priori* knowledge of the optimality gap $\Delta_{[2]}$. Here, and throughout, the optimality gap…

Machine Learning · Computer Science 2025-02-04 Nikolai Karpov , Chen Wang

We compare Evolutionary Algorithms with Minima Hopping for global optimization in the field of cluster structure prediction. We introduce a new {\em average offspring} recombination operator and compare it with previously used operators.…

Other Condensed Matter · Physics 2009-11-13 Sandro E. Schoenborn , Stefan Goedecker , Shantanu Roy , Artem R. Oganov

Larger transformer models always perform better on various tasks but require more costs to scale up the model size. To efficiently enlarge models, the mixture-of-experts (MoE) architecture is widely adopted, which consists of a gate network…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-11-14 Xiaonan Nie , Qibin Liu , Fangcheng Fu , Shenhan Zhu , Xupeng Miao , Xiaoyang Li , Yang Zhang , Shouda Liu , Bin Cui

Multi-modal optimization involves identifying multiple global and local optima of a function, offering valuable insights into diverse optimal solutions within the search space. Evolutionary algorithms (EAs) excel at finding multiple…

Neural and Evolutionary Computing · Computer Science 2025-09-09 Dikshit Chauhan , Shivani , Donghwi Jung , Anupam Yadav

Basin-Hopping (BH) or Monte-Carlo Minimization (MCM) is so far the most reliable algorithms in chemical physics to search for the lowest-energy structure of atomic clusters and macromolecular systems. BH transforms the complex energy…

Materials Science · Physics 2009-11-10 Masao Iwamatsu , Yutaka Okabe

The majority of ML research concerns slow, statistical learning of i.i.d. samples from large, labelled datasets. Animals do not learn this way. An enviable characteristic of animal learning is `episodic' learning - the ability to memorise a…

Neural and Evolutionary Computing · Computer Science 2020-03-26 Gideon Kowadlo , Abdelrahman Ahmed , David Rawlinson

Multi-Head Attention (MHA) is the core computational primitive underlying modern Large Language Models (LLMs). However, MHA suffers from a fundamental linear scaling limitation: $H$ attention heads produce exactly $H$ independent attention…

Learning-assisted algorithm design often has to make reliable search decisions under small evaluation budgets, where committing to a single metaheuristic can be unreliable. We propose WASHH, a Whale-guided Adaptive Selection Hyper-Heuristic…

Neural and Evolutionary Computing · Computer Science 2026-05-29 Yifu Zhao , Xiaofan Zou , Junhao Wei , Yanxiao Li , Baili Lu , Zhenhong Peng , Dexing Yao , Haochen Li , Qinbin He , Sio-Kei Im , Xu Yang , Yapeng Wang

We introduce Local Reinforcement-Based Selection of Auxiliary Objectives (LRSAO), a novel approach that selects auxiliary objectives using reinforcement learning (RL) to support the optimization process of an evolutionary algorithm (EA) as…

Neural and Evolutionary Computing · Computer Science 2025-04-22 Abderrahim Bendahi , Adrien Fradin , Matthieu Lerasle

In this paper, we study the behavior of the Hedge algorithm in the online stochastic setting. We prove that anytime Hedge with decreasing learning rate, which is one of the simplest algorithm for the problem of prediction with expert…

Machine Learning · Statistics 2019-07-10 Jaouad Mourtada , Stéphane Gaïffas

In this paper, we develop novel accuracy and performance guarantees for optimal state estimation of general nonlinear systems (in particular, moving horizon estimation, MHE). Our results rely on a turnpike property of the optimal state…

Optimization and Control · Mathematics 2025-01-31 Julian D. Schiller , Lars Grüne , and Matthias A. Müller

For sufficiently smooth targets of product form it is known that the variance of a single coordinate of the proposal in RWM (Random walk Metropolis) and MALA (Metropolis adjusted Langevin algorithm) should optimally scale as $n^{-1}$ and as…

Probability · Mathematics 2020-07-15 Jure Vogrinc , Wilfrid Stephen Kendall

The article presents a local search approach for the solution of timetabling problems in general, with a particular implementation for competition track 3 of the International Timetabling Competition 2007 (ITC 2007). The heuristic search…

Artificial Intelligence · Computer Science 2008-10-02 Martin Josef Geiger

We study a $K$-armed non-stationary bandit model where rewards change smoothly, as captured by H\"{o}lder class assumptions on rewards as functions of time. Such smooth changes are parametrized by a H\"{o}lder exponent $\beta$ and…

Machine Learning · Statistics 2025-02-27 Joe Suk