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Virtual screening applications are highly parameterized to optimize the balance between quality and execution performance. While output quality is critical, the entire screening process must be completed within a reasonable time. In fact, a…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-10-22 Bruno Guindani , Davide Gadioli , Roberto Rocco , Danilo Ardagna , Gianluca Palermo

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

Optimizing expensive-to-evaluate black-box functions of discrete (and potentially continuous) design parameters is a ubiquitous problem in scientific and engineering applications. Bayesian optimization (BO) is a popular, sample-efficient…

Machine Learning · Computer Science 2022-10-20 Samuel Daulton , Xingchen Wan , David Eriksson , Maximilian Balandat , Michael A. Osborne , Eytan Bakshy

Stiffener layout optimization of complex surfaces is fulfilled within the framework of topology optimization. A combined parameterization method is developed in two aspects. One is to parameterize the material distribution of the stiffener…

Computational Engineering, Finance, and Science · Computer Science 2022-01-26 Weihong Zhang , Shengqi Feng

Breakthroughs in aerodynamic optimization have made it possible to develop efficient modes of transport with lesser exploitation of valuable resources. This makes it crucial for technical professionals such as engineers and scientists to…

Fluid Dynamics · Physics 2023-11-09 Paras Singh , Harshit Gupta , Ojas Vinayak , Aryan Tyagi

Search-based test-generation algorithms have countless configuration options. Users rarely adjust these options and usually stick to the default values, which may not lead to the best possible results. Tuning an algorithm's hyperparameters…

Software Engineering · Computer Science 2025-10-13 Stephan Lukasczyk , Gordon Fraser

We propose a new method for optimistic planning in infinite-horizon discounted Markov decision processes based on the idea of adding regularization to the updates of an otherwise standard approximate value iteration procedure. This…

Machine Learning · Computer Science 2023-06-16 Antoine Moulin , Gergely Neu

In dynamic MRI, sufficient time resolution can often only be obtained using imaging protocols which produce undersampled data for each image in the time series. This has led to the popularity of compressed sensing (CS) based image…

Subspace optimization methods have the attractive property of reducing large-scale optimization problems to a sequence of low-dimensional subspace optimization problems. However, existing subspace optimization frameworks adopt a fixed…

Optimization and Control · Mathematics 2022-03-03 Yoni Choukroun , Michael Katz

Micro- and mesostructures of multiphase materials obtained from tomography and image acquisition are an ever more important database for simulation analyses. Huge data sets for reconstructed 3d volumes typically as voxel grids call for…

Computational Engineering, Finance, and Science · Computer Science 2021-03-17 Ajinkya Gote , Andreas Fischer , Chuanzeng Zhang , Bernhard Eidel

This work explores a novel approach for adaptive, differentiable parametrization of large-scale non-stationary random fields. Coupled with any gradient-based algorithm, the method can be applied to variety of optimization problems,…

Optimization and Control · Mathematics 2019-03-19 Andrei Mukhin , Aleksey Khlyupin

In earthquake-prone zones, the seismic performance of reinforced concrete cantilever (RCC) retaining walls is significant. In this study, the seismic performance was investigated using horizontal and vertical pseudo-static coefficients. To…

Neural and Evolutionary Computing · Computer Science 2023-02-02 Farshid Keivanian , Raymond Chiong , Ali R. Kashani , Amir H. Gandomi

In this article the most fundamental decomposition-based optimization method - block coordinate search, based on the sequential decomposition of problems in subproblems - and building performance simulation programs are used to reason about…

Optimization and Control · Mathematics 2016-09-12 Gian Luca Brunetti

Deep ensemble methods often improve predictive performance, yet they suffer from three practical limitations: redundancy among base models that inflates computational cost and degrades conditioning, unstable weighting under…

Machine Learning · Computer Science 2026-04-27 Noor Islam S. Mohammad , Md Muntaqim Meherab

This study introduces a novel computational framework for Robust Topology Optimization (RTO) considering imprecise random field parameters. Unlike the worst-case approach, the present method provides upper and lower bounds for the mean and…

Computational Engineering, Finance, and Science · Computer Science 2022-01-28 Kang Gao , Duy Minh Doc , Sheng Chu , Gang Wu , H. Alicia Kim , Carol A. Featherston

Stochastic, iterative search methods such as Evolutionary Algorithms (EAs) are proven to be efficient optimizers. However, they require evaluation of the candidate solutions which may be prohibitively expensive in many real world…

Neural and Evolutionary Computing · Computer Science 2013-03-12 Maumita Bhattacharya

Finding the best configuration of algorithms' hyperparameters for a given optimization problem is an important task in evolutionary computation. We compare in this work the results of four different hyperparameter tuning approaches for a…

Neural and Evolutionary Computing · Computer Science 2022-03-18 Furong Ye , Carola Doerr , Hao Wang , Thomas Bäck

Establishing a low-dimensional representation of the data leads to efficient data learning strategies. In many cases, the reduced dimension needs to be explicitly stated and estimated from the data. We explore the estimation of dimension in…

Methodology · Statistics 2022-02-10 Wei Q. Deng , Radu V. Craiu

This research is focused on solving problems in the area of software project management using metaheuristic search algorithms and as such is research in the field of search based software engineering. The main aim of this research is to…

Neural and Evolutionary Computing · Computer Science 2016-05-09 Andy M. Connor , Amit Shah

The performance of optimization algorithms relies crucially on their parameterizations. Finding good parameter settings is called algorithm tuning. The sequential parameter optimization (SPOT) package for R is a toolbox for tuning and…

Mathematical Software · Computer Science 2021-03-05 Thomas Bartz-Beielstein , Martin Zaefferer , Frederik Rehbach