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Prediction+optimization is a common real-world paradigm where we have to predict problem parameters before solving the optimization problem. However, the criteria by which the prediction model is trained are often inconsistent with the goal…

Machine Learning · Computer Science 2021-11-23 Kai Yan , Jie Yan , Chuan Luo , Liting Chen , Qingwei Lin , Dongmei Zhang

The performance of modern reinforcement learning algorithms critically relies on tuning ever-increasing numbers of hyperparameters. Often, small changes in a hyperparameter can lead to drastic changes in performance, and different…

Machine Learning · Computer Science 2025-02-05 Jacob Adkins , Michael Bowling , Adam White

Accurate forecasting of electrical demand is essential for maintaining a stable and reliable power grid, optimizing the allocation of energy resources, and promoting efficient energy consumption practices. This study investigates the…

Machine Learning · Computer Science 2026-02-27 Tugrul Cabir Hakyemez , Omer Adar

Optimizing costly black-box functions within a constrained evaluation budget presents significant challenges in many real-world applications. Surrogate Optimization (SO) is a common resolution, yet its proprietary nature introduced by the…

Machine Learning · Computer Science 2024-10-21 Nazanin Nezami , Hadis Anahideh

Zeroth-order optimization (ZO) is widely used for solving black-box optimization and control problems. In particular, single-point ZO (SZO) is well-suited to online or dynamic problem settings due to its requirement of only a single…

Optimization and Control · Mathematics 2026-02-06 Xin Chen , Zhaolin Ren

When training deep learning models, the performance depends largely on the selected hyperparameters. However, hyperparameter optimization (HPO) is often one of the most expensive parts of model design. Classical HPO methods treat this as a…

Purpose: Optimization challenges in science, engineering, and real-world applications often involve complex, high-dimensional, and multimodal search spaces. Traditional optimization methods frequently struggle with local optima entrapment,…

Neural and Evolutionary Computing · Computer Science 2025-11-04 Sreeja Singh , Tamal Ghosh

Hyperparameter optimization (HPO) is an important step in machine learning (ML) model development, but common practices are archaic -- primarily relying on manual or grid searches. This is partly because adopting advanced HPO algorithms…

Machine Learning · Computer Science 2024-02-08 Sungduk Yu , Mike Pritchard , Po-Lun Ma , Balwinder Singh , Sam Silva

The exploration of novel architectures requires physics-based simulation due to a lack of prior experience to start from, which introduces two specific challenges for optimization algorithms: evaluations become more expensive (in time) and…

Machine Learning · Computer Science 2025-04-14 Jasper Bussemaker , Paul Saves , Nathalie Bartoli , Thierry Lefebvre , Björn Nagel

Recently surrogate functions based on the tail inequalities were developed to evaluate the chance constraints in the context of evolutionary computation and several Pareto optimization algorithms using these surrogates were successfully…

Artificial Intelligence · Computer Science 2024-04-19 Xiankun Yan , Aneta Neumann , Frank Neumann

This paper presents a methodological framework for training, self-optimising, and self-organising surrogate models to approximate and speed up multiobjective optimisation of technical systems based on multiphysics simulations. At the hand…

Machine Learning · Computer Science 2024-04-04 Diego Botache , Jens Decke , Winfried Ripken , Abhinay Dornipati , Franz Götz-Hahn , Mohamed Ayeb , Bernhard Sick

Automatic performance tuning (auto-tuning) is widely used to optimize performance-critical applications across many scientific domains by finding the best program variant among many choices. Efficient optimization algorithms are crucial for…

Machine Learning · Computer Science 2025-10-10 Floris-Jan Willemsen , Rob V. van Nieuwpoort , Ben van Werkhoven

Selecting the optimal combination of a machine learning (ML) algorithm and its hyper-parameters is crucial for the development of high-performance ML systems. However, since the combination of ML algorithms and hyper-parameters is enormous,…

Machine Learning · Computer Science 2025-02-14 Kazuki Ishikawa , Ryota Ozaki , Yohei Kanzaki , Ichiro Takeuchi , Masayuki Karasuyama

In this paper, we propose a novel approach (SAPEO) to support the survival selection process in multi-objective evolutionary algorithms with surrogate models - it dynamically chooses individuals to evaluate exactly based on the model…

Neural and Evolutionary Computing · Computer Science 2016-11-02 Vanessa Volz , Günter Rudolph , Boris Naujoks

Deep neural networks have seen great success in recent years; however, training a deep model is often challenging as its performance heavily depends on the hyper-parameters used. In addition, finding the optimal hyper-parameter…

A body of work has been done to automate machine learning algorithm to highlight the importance of model choice. Automating the process of choosing the best forecasting model and its corresponding parameters can result to improve a wide…

Machine Learning · Computer Science 2021-09-02 Nadhir Hassen , Irina Rish

Bayesian Optimization is the state of the art technique for the optimization of black boxes, i.e., functions where we do not have access to their analytical expression nor its gradients, they are expensive to evaluate and its evaluation is…

Artificial Intelligence · Computer Science 2021-01-13 Eduardo C. Garrido Merchán , Luis C. Jariego Pérez

Autodock is a widely used molecular modeling tool which predicts how small molecules bind to a receptor of known 3D structure. The current version of AutoDock uses meta-heuristic algorithms in combination with local search methods for doing…

Machine Learning · Statistics 2018-12-07 Hojjat Rakhshani , Lhassane Idoumghar , Julien Lepagnot , Mathieu Brevilliers , Edward Keedwell

Hyperparameter selection in continual learning scenarios is a challenging and underexplored aspect, especially in practical non-stationary environments. Traditional approaches, such as grid searches with held-out validation data from all…

Machine Learning · Computer Science 2024-06-21 Rudy Semola , Julio Hurtado , Vincenzo Lomonaco , Davide Bacciu

Parametric shape optimization aims at minimizing an objective function f(x) where x are CAD parameters. This task is difficult when f is the output of an expensive-to-evaluate numerical simulator and the number of CAD parameters is large.…

Machine Learning · Statistics 2021-05-06 David Gaudrie , Rodolphe Le Riche , Victor Picheny , Benoit Enaux , Vincent Herbert