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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…
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…
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…
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…
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…
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…
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…
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.…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…