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In recent years, graph neural networks (GNNs) have gained increasing attention, as they possess the excellent capability of processing graph-related problems. In practice, hyperparameter optimisation (HPO) is critical for GNNs to achieve…

Machine Learning · Computer Science 2021-04-29 Yingfang Yuan , Wenjun Wang , Wei Pang

Learning to optimize is a rapidly growing area that aims to solve optimization problems or improve existing optimization algorithms using machine learning (ML). In particular, the graph neural network (GNN) is considered a suitable ML model…

Machine Learning · Computer Science 2023-05-29 Ziang Chen , Jialin Liu , Xinshang Wang , Jianfeng Lu , Wotao Yin

Genetic Programming (GP), an evolutionary learning technique, has multiple applications in machine learning such as curve fitting, data modelling, feature selection, classification etc. GP has several inherent parallel steps, making it an…

Neural and Evolutionary Computing · Computer Science 2021-10-22 Vimarsh Sathia , Venkataramana Ganesh , Shankara Rao Thejaswi Nanditale

In the genomic era, the identification of gene signatures associated with disease is of significant interest. Such signatures are often used to predict clinical outcomes in new patients and aid clinical decision-making. However, recent…

Methodology · Statistics 2019-03-27 Naim U. Rashid , Quefeng Li , Jen Jen Yeh , Joseph G. Ibrahim

Gaussian processes (GPs), or distributions over arbitrary functions in a continuous domain, can be generalized to the multi-output case: a linear model of coregionalization (LMC) is one approach. LMCs estimate and exploit correlations…

Machine Learning · Statistics 2017-10-24 Vladimir Feinberg , Li-Fang Cheng , Kai Li , Barbara E Engelhardt

This work presents the use of graph learning for the prediction of multi-step experimental outcomes for applications across experimental research, including material science, chemistry, and biology. The viability of geometric learning for…

Machine Learning · Computer Science 2024-08-13 Amanda A. Volk , Robert W. Epps , Jeffrey G. Ethier , Luke A. Baldwin

Multi-output Gaussian processes (MOGPs) have been introduced to deal with multiple tasks by exploiting the correlations between different outputs. Generally, MOGPs models assume a flat correlation structure between the outputs. However,…

Machine Learning · Computer Science 2023-09-01 Chunchao Ma , Arthur Leroy , Mauricio Alvarez

Heuristic optimisation algorithms explore the search space by sampling solutions, evaluating their fitness, and biasing the search in the direction of promising solutions. However, in many cases, this fitness function involves executing…

Neural and Evolutionary Computing · Computer Science 2024-10-07 Pablo S. Naharro , Pablo Toharia , Antonio LaTorre , José-María Peña

Generative models are now capable of producing highly realistic images that look nearly indistinguishable from the data on which they are trained. This raises the question: if we have good enough generative models, do we still need…

Computer Vision and Pattern Recognition · Computer Science 2022-03-17 Ali Jahanian , Xavier Puig , Yonglong Tian , Phillip Isola

Phylogenies (ancestry trees) depict the evolutionary history of an evolving population. In evolutionary computing, a phylogeny can reveal how an evolutionary algorithm steers a population through a search space, illuminating the…

Neural and Evolutionary Computing · Computer Science 2023-06-08 Alexander Lalejini , Matthew Andres Moreno , Jose Guadalupe Hernandez , Emily Dolson

Gene expression programming is an evolutionary optimization algorithm with the potential to generate interpretable and easily implementable equations for regression problems. Despite knowledge gained from previous optimizations being…

Neural and Evolutionary Computing · Computer Science 2025-02-05 Maximilian Reissmann , Yuan Fang , Andrew S. H. Ooi , Richard D. Sandberg

Genetic Algorithms (GAs) are used to solve search and optimization problems in which an optimal solution can be found using an iterative process with probabilistic and non-deterministic transitions. However, depending on the problem's…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-01-23 Matheus F. Torquato , Marcelo A. C. Fernandes

This paper introduces an enhanced Genetic Algorithm technique, which optimizes neural networks for binary image classification tasks, such as cat vs. non-cat classification. The proposed method employs only two individuals for crossover,…

Neural and Evolutionary Computing · Computer Science 2025-06-11 Tran Thuy Nga Truong , Jooyong Kim

In many applications of evolutionary algorithms the computational cost of applying operators and storing populations is comparable to the cost of fitness evaluation. Furthermore, by knowing what exactly has changed in an individual by an…

Neural and Evolutionary Computing · Computer Science 2023-06-30 Maxim Buzdalov

Choosing the most adequate kernel is crucial in many Machine Learning applications. Gaussian Process is a state-of-the-art technique for regression and classification that heavily relies on a kernel function. However, in the Gaussian…

Machine Learning · Computer Science 2019-10-15 Ibai Roman , Roberto Santana , Alexander Mendiburu , Jose A. Lozano

Transformer architectures, capable of capturing sequential dependencies in the history of user interactions, have become the dominant approach in sequential recommender systems. Despite their success, such models consider sequence elements…

Information Retrieval · Computer Science 2026-03-02 Artur Gimranov , Viacheslav Yusupov , Elfat Sabitov , Tatyana Matveeva , Anton Lysenko , Ruslan Israfilov , Evgeny Frolov

Genetic algorithms, computer programs that simulate natural evolution, are increasingly applied across many disciplines. They have been used to solve various optimisation problems from neural network architecture search to strategic games,…

Neural and Evolutionary Computing · Computer Science 2021-09-14 Aymeric Vie , Alissa M. Kleinnijenhuis , Doyne J. Farmer

Data-driven genetic programming (GP) has proven highly effective in solving combinatorial optimization problems under dynamic and uncertain environments. A central challenge lies in fast fitness evaluations on large training datasets,…

Neural and Evolutionary Computing · Computer Science 2025-04-16 Leshan Tan , Chenwei Jin , Xinan Chen , Rong Qu , Ruibin Bai

The goal in Symbolic Regression (SR) is to discover expressions that accurately map input to output data. Because often the intent is to understand these expressions, there is a trade-off between accuracy and the interpretability of…

Neural and Evolutionary Computing · Computer Science 2025-05-05 Joe Harrison , Peter A. N. Bosman , Tanja Alderliesten

We propose a novel approach for the challenge of designing less complex yet highly effective convolutional neural networks (CNNs) through the use of cartesian genetic programming (CGP) for neural architecture search (NAS). Our approach…

Neural and Evolutionary Computing · Computer Science 2023-06-06 Cosijopii Garcia-Garcia , Alicia Morales-Reyes , Hugo Jair Escalante