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The flawless functioning of a protein is essentially linked to its own three-dimensional structure. Therefore, the prediction of a protein structure from its amino acid sequence is a fundamental problem in many fields that draws researchers…

Neural and Evolutionary Computing · Computer Science 2019-07-10 Nabil Boumedine , Sadek Bouroubi

Since the rise of Large Language Models (LLMs) a couple of years ago, researchers in metaheuristics (MHs) have wondered how to use their power in a beneficial way within their algorithms. This paper introduces a novel approach that…

Artificial Intelligence · Computer Science 2025-02-13 Camilo Chacón Sartori , Christian Blum , Filippo Bistaffa , Guillem Rodríguez Corominas

This paper proposes a practical and efficient solution for computing convolutions using hybrid dealiasing. It offers an alternative to explicit or implicit dealiasing and includes an optimized hyperparameter tuning algorithm that uses…

Numerical Analysis · Mathematics 2023-06-21 Robert Joseph George , Noel Murasko , John C. Bowman

Optimization aims at selecting a feasible set of parameters in an attempt to solve a particular problem, being applied in a wide range of applications, such as operations research, machine learning fine-tuning, and control engineering,…

Neural and Evolutionary Computing · Computer Science 2020-12-03 Gustavo H. de Rosa , Douglas Rodrigues , João P. Papa

The Vehicle Routing Problem (VRP) is a complex optimization problem with numerous real-world applications, mostly solved using metaheuristic algorithms due to its $\mathcal{NP}$-Hard nature. Traditionally, these metaheuristics rely on…

Artificial Intelligence · Computer Science 2025-08-11 Bachtiar Herdianto , Romain Billot , Flavien Lucas , Marc Sevaux

Hybridizing machine learning techniques with metaheuristics has attracted significant attention in recent years. Many attempts employ supervised or reinforcement learning to support the decision-making of heuristic methods. However, in some…

Machine Learning · Computer Science 2026-02-25 Bruna C. B. Charytitsch , Mariá C. V. Nascimento

Metaheuristic search algorithms look for solutions that either maximise or minimise a set of objectives, such as cost or performance. However most real-world optimisation problems consist of nonlinear problems with complex constraints and…

Neural and Evolutionary Computing · Computer Science 2022-06-29 Manjinder Singh , Alexander E. I. Brownlee , David Cairns

In this paper, we describe the hyper-parameter search problem in the field of machine learning and present a heuristic approach in an attempt to tackle it. In most learning algorithms, a set of hyper-parameters must be determined before…

Machine Learning · Computer Science 2020-01-14 Wei Hao Khoong

The paper describes the proposition and application of a local search metaheuristic for multi-objective optimization problems. It is based on two main principles of heuristic search, intensification through variable neighborhoods, and…

Artificial Intelligence · Computer Science 2008-09-03 Martin Josef Geiger

In a shotgun proteomics experiment, proteins are the most biologically meaningful output. The success of proteomics studies depends on the ability to accurately and efficiently identify proteins. Many methods have been proposed to…

Quantitative Methods · Quantitative Biology 2012-11-30 Chao Yang , Zengyou He , Weichuan Yu

Heuristic algorithms play a vital role in solving combinatorial optimization (CO) problems, yet traditional designs depend heavily on manual expertise and struggle to generalize across diverse instances. We introduce \textbf{HeurAgenix}, a…

Artificial Intelligence · Computer Science 2025-06-25 Xianliang Yang , Ling Zhang , Haolong Qian , Lei Song , Jiang Bian

We present a unified view of likelihood based Gaussian progress regression for simulation experiments exhibiting input-dependent noise. Replication plays an important role in that context, however previous methods leveraging replicates have…

Methodology · Statistics 2019-01-18 Mickael Binois , Robert B. Gramacy , Michael Ludkovski

In certain real-world optimization scenarios, practitioners are not interested in solving multiple problems but rather in finding the best solution to a single, specific problem. When the computational budget is large relative to the cost…

Machine Learning · Computer Science 2026-02-10 Judith Echevarrieta , Etor Arza , Aritz Pérez , Josu Ceberio

Mixed Integer Programming (MIP) is NP-hard, and yet modern solvers often solve large real-world problems within minutes. This success can partially be attributed to heuristics. Since their behavior is highly instance-dependent, relying on…

Optimization and Control · Mathematics 2023-04-10 Antonia Chmiela , Ambros Gleixner , Pawel Lichocki , Sebastian Pokutta

A hybrid evolutionary algorithm with importance sampling method is proposed for multi-dimensional optimization problems in this paper. In order to make use of the information provided in the search process, a set of visited solutions is…

Neural and Evolutionary Computing · Computer Science 2013-08-26 Guanghui Huang , Zhifeng Pan

Inference after model selection has been an active research topic in the past few years, with numerous works offering different approaches to addressing the perils of the reuse of data. In particular, major progress has been made recently…

Methodology · Statistics 2020-06-02 Snigdha Panigrahi , Jonathan Taylor , Asaf Weinstein

Working with exhaustive search on large dataset is infeasible for several reasons. Recently, developed techniques that made pattern set mining feasible by a general solver with long execution time that supports heuristic search and are…

Artificial Intelligence · Computer Science 2015-07-21 Shanjida Khatun , Hasib Ul Alam , Swakkhar Shatabda

While bibliometrics are widely used for research evaluation purposes, a common theoretical framework for conceptually understanding, empirically studying, and effectively teaching its usage is lacking. In this paper, we outline such a…

Digital Libraries · Computer Science 2019-06-26 Lutz Bornmann , Julian N. Marewski

Neural Combinatorial Optimization aims to learn to solve a class of combinatorial problems through data-driven methods and notably through employing neural networks by learning the underlying distribution of problem instances. While, so far…

Machine Learning · Computer Science 2025-08-05 Daniela Thyssens , Tim Dernedde , Wilson Sentanoe , Lars Schmidt-Thieme

To solve a new task from minimal experience, it is essential to effectively reuse knowledge from previous tasks, a problem known as meta-learning. Compositional solutions, where common elements of computation are flexibly recombined into…

Machine Learning · Computer Science 2025-10-03 Jacob J. W. Bakermans , Pablo Tano , Reidar Riveland , Charles Findling , Alexandre Pouget
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