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We introduce the hyperparameter search problem in the field of machine learning and discuss its main challenges from an optimization perspective. Machine learning methods attempt to build models that capture some element of interest based…

Machine Learning · Computer Science 2015-04-07 Marc Claesen , Bart De Moor

The loss surface of deep neural networks has recently attracted interest in the optimization and machine learning communities as a prime example of high-dimensional non-convex problem. Some insights were recently gained using spin glass…

Machine Learning · Statistics 2017-06-05 C. Daniel Freeman , Joan Bruna

Hyperparameter optimization constitutes a large part of typical modern machine learning workflows. This arises from the fact that machine learning methods and corresponding preprocessing steps often only yield optimal performance when…

Exploratory landscape analysis (ELA) supports supervised learning approaches for automated algorithm selection and configuration by providing sets of features that quantify the most relevant characteristics of the optimization problem at…

Neural and Evolutionary Computing · Computer Science 2022-12-08 Quentin Renau , Carola Doerr , Johann Dreo , Benjamin Doerr

In continual learning (CL) -- where a learner trains on a stream of data -- standard hyperparameter optimisation (HPO) cannot be applied, as a learner does not have access to all of the data at the same time. This has prompted the…

Machine Learning · Computer Science 2025-03-17 Thomas L. Lee , Sigrid Passano Hellan , Linus Ericsson , Elliot J. Crowley , Amos Storkey

Modern software systems are often highly configurable to tailor varied requirements from diverse stakeholders. Understanding the mapping between configurations and the desired performance attributes plays a fundamental role in advancing the…

Software Engineering · Computer Science 2024-02-12 Mingyu Huang , Peili Mao , Ke Li

Lane topology reasoning techniques play a crucial role in high-definition (HD) mapping and autonomous driving applications. While recent years have witnessed significant advances in this field, there has been limited effort to consolidate…

Robotics · Computer Science 2025-04-04 Yi Yao , Miao Fan , Shengtong Xu , Haoyi Xiong , Xiangzeng Liu , Wenbo Hu , Wenbing Huang

Most of the machine learning models have associated hyper-parameters along with their parameters. While the algorithm gives the solution for parameters, its utility for model performance is highly dependent on the choice of hyperparameters.…

Machine Learning · Computer Science 2022-01-19 Shashank Shekhar , Adesh Bansode , Asif Salim

Local Optima Networks (LONs) have been recently proposed as an alternative model of combinatorial fitness landscapes. The model compresses the information given by the whole search space into a smaller mathematical object that is the graph…

Artificial Intelligence · Computer Science 2012-10-16 Fabio Daolio , Sébastien Verel , Gabriela Ochoa , Marco Tomassini

Recent advances in Large Language Models (LLMs) are fostering their integration into several reasoning-related fields, including Automated Planning (AP). However, their integration into Hierarchical Planning (HP), a subfield of AP that…

Artificial Intelligence · Computer Science 2025-11-25 Israel Puerta-Merino , Carlos Núñez-Molina , Pablo Mesejo , Juan Fernández-Olivares

High-entropy alloys (HEAs) have attracted extensive interest due to their exceptional mechanical properties and the vast compositional space for new HEAs. However, understanding their novel physical mechanisms and then using these…

Materials Science · Physics 2022-09-08 Xianglin Liu , Jiaxin Zhang , Zongrui Pei

Hyperparameter optimization (HPO) plays a central role in the automated machine learning (AutoML). It is a challenging task as the response surfaces of hyperparameters are generally unknown, hence essentially a global optimization problem.…

Machine Learning · Computer Science 2021-06-18 Zebin Yang , Aijun Zhang

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 rise of multimodal large language models (MLLMs) has sparked an unprecedented wave of applications in the field of medical imaging analysis. However, as one of the earliest and most fundamental tasks integrated into this paradigm,…

Computer Vision and Pattern Recognition · Computer Science 2026-04-10 Xun Zhu , Fanbin Mo , Xi Chen , Kaili Zheng , Shaoshuai Yang , Yiming Shi , Jian Gao , Miao Li , Ji Wu

The increasing demand for democratizing machine learning algorithms calls for hyperparameter optimization (HPO) solutions at low cost. Many machine learning algorithms have hyperparameters which can cause a large variation in the training…

Machine Learning · Computer Science 2020-12-24 Qingyun Wu , Chi Wang , Silu Huang

Recently, the study of graph neural network (GNN) has attracted much attention and achieved promising performance in molecular property prediction. Most GNNs for molecular property prediction are proposed based on the idea of learning the…

Machine Learning · Computer Science 2021-04-15 Yingfang Yuan , Wenjun Wang , Wei Pang

Modern neural networks are undeniably successful. Numerous works study how the curvature of loss landscapes can affect the quality of solutions. In this work we study the loss landscape by considering the Hessian matrix during network…

Machine Learning · Computer Science 2023-07-25 Lawrence Wang , Stephen Roberts

Training a neural network requires navigating a high-dimensional, non-convex loss surface to find parameters that minimize this loss. In many ways, it is surprising that optimizers such as stochastic gradient descent and ADAM can reliably…

Machine Learning · Computer Science 2026-02-06 Conor Rowan , Finn Murphy-Blanchard

A Local Optima Network (LON) is a graph model that compresses the fitness landscape of a particular combinatorial optimization problem based on a specific neighborhood operator and a local search algorithm. Determining which and how…

Neural and Evolutionary Computing · Computer Science 2020-04-30 Marcella Scoczynski Ribeiro Martins , Mohamed El Yafrani , Myriam R. B. S. Delgado , Ricardo Luders

The ability to explain decisions made by machine learning models remains one of the most significant hurdles towards widespread adoption of AI in highly sensitive areas such as medicine, cybersecurity or autonomous driving. Great interest…

Machine Learning · Computer Science 2024-12-17 Maximilian P Niroomand , David J Wales
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