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Recent years have witnessed the popularity of Graph Neural Networks (GNN) in various scenarios. To obtain optimal data-specific GNN architectures, researchers turn to neural architecture search (NAS) methods, which have made impressive…

机器学习 · 计算机科学 2020-09-08 Huan Zhao , Lanning Wei , Quanming Yao

The increasing availability of graph-structured data motivates the task of optimising over functions defined on the node set of graphs. Traditional graph search algorithms can be applied in this case, but they may be sample-inefficient and…

机器学习 · 计算机科学 2023-10-31 Xingchen Wan , Pierre Osselin , Henry Kenlay , Binxin Ru , Michael A. Osborne , Xiaowen Dong

Bayesian optimization (BO) is a widely used iterative algorithm for optimizing black-box functions. Each iteration requires maximizing an acquisition function, such as the upper confidence bound (UCB) or a sample path from the Gaussian…

机器学习 · 统计学 2025-06-16 Hwanwoo Kim , Chong Liu , Yuxin Chen

For Bayesian optimization (BO) on high-dimensional data with complex structure, neural network-based kernels for Gaussian processes (GPs) have been used to learn flexible surrogate functions by the high representation power of deep…

机器学习 · 统计学 2021-11-02 Tomoharu Iwata

Bayesian Optimization (BO) is a widely used approach for blackbox optimization that leverages a Gaussian process (GP) model and an acquisition function to guide future sampling. While effective in low-dimensional settings, BO faces…

机器学习 · 计算机科学 2025-11-26 Pavankumar Koratikere , Leifur Leifsson

Bayesian Optimization (BO) is an effective framework for globally optimizing functions whose evaluations are expensive. It is particularly effective for optimizing functions defined over continuous domains and explicitly handles stochastic…

计算工程、金融与科学 · 计算机科学 2026-05-21 Buqing Ou , Frederike Dümbgen

Automatic neural architecture design has shown its potential in discovering powerful neural network architectures. Existing methods, no matter based on reinforcement learning or evolutionary algorithms (EA), conduct architecture search in a…

机器学习 · 计算机科学 2019-09-05 Renqian Luo , Fei Tian , Tao Qin , Enhong Chen , Tie-Yan Liu

Graph neural networks (GNN) has been successfully applied to operate on the graph-structured data. Given a specific scenario, rich human expertise and tremendous laborious trials are usually required to identify a suitable GNN architecture.…

机器学习 · 计算机科学 2019-09-11 Kaixiong Zhou , Qingquan Song , Xiao Huang , Xia Hu

Neural architecture search (NAS) is a promising method for automatically design neural architectures. NAS adopts a search strategy to explore the predefined search space to find outstanding performance architecture with the minimum…

机器学习 · 计算机科学 2020-09-11 Chen Wei , Chuang Niu , Yiping Tang , Yue Wang , Haihong Hu , Jimin Liang

Bayesian optimization (BO) provides a powerful framework for optimizing black-box, expensive-to-evaluate functions. It is therefore an attractive tool for engineering design problems, typically involving multiple objectives. Thanks to the…

机器学习 · 计算机科学 2024-09-06 Navid Ansari , Alireza Javanmardi , Eyke Hüllermeier , Hans-Peter Seidel , Vahid Babaei

This work proposes a novel Graph-based neural ArchiTecture Encoding Scheme, a.k.a. GATES, to improve the predictor-based neural architecture search. Specifically, different from existing graph-based schemes, GATES models the operations as…

机器学习 · 计算机科学 2020-09-02 Xuefei Ning , Yin Zheng , Tianchen Zhao , Yu Wang , Huazhong Yang

Recurrent neural networks (RNNs) are a powerful approach for time series prediction. However, their performance is strongly affected by their architecture and hyperparameter settings. The architecture optimization of RNNs is a…

机器学习 · 计算机科学 2021-04-26 Andrés Camero , Hao Wang , Enrique Alba , Thomas Bäck

Bayesian optimization (BO) is a popular algorithm for solving challenging optimization tasks. It is designed for problems where the objective function is expensive to evaluate, perhaps not available in exact form, without gradient…

机器学习 · 统计学 2018-08-22 Umberto Noè , Dirk Husmeier

Bayesian Optimization (BO) has shown significant success in tackling expensive low-dimensional black-box optimization problems. Many optimization problems of interest are high-dimensional, and scaling BO to such settings remains an…

机器学习 · 统计学 2022-06-02 Eric Han , Ishank Arora , Jonathan Scarlett

Bayesian optimization (BO) is a model-based approach to sequentially optimize expensive black-box functions, such as the validation error of a deep neural network with respect to its hyperparameters. In many real-world scenarios, the…

Bayesian optimization (BO) is a popular paradigm for global optimization of expensive black-box functions, but there are many domains where the function is not completely a black-box. The data may have some known structure (e.g. symmetries)…

机器学习 · 计算机科学 2022-12-08 Samuel Kim , Peter Y. Lu , Charlotte Loh , Jamie Smith , Jasper Snoek , Marin Soljačić

Bayesian optimization (BO) is an attractive machine learning framework for performing sample-efficient global optimization of black-box functions. The optimization process is guided by an acquisition function that selects points to acquire…

机器学习 · 计算机科学 2024-10-14 Felix Teufel , Carsten Stahlhut , Jesper Ferkinghoff-Borg

Scaling Bayesian optimisation (BO) to high-dimensional search spaces is a active and open research problems particularly when no assumptions are made on function structure. The main reason is that at each iteration, BO requires to find…

机器学习 · 统计学 2026-04-28 Hung Tran-The , Sunil Gupta , Santu Rana , Svetha Venkatesh

Performing analytical tasks over graph data has become increasingly interesting due to the ubiquity and large availability of relational information. However, unlike images or sentences, there is no notion of sequence in networks. Nodes…

神经与进化计算 · 计算机科学 2020-10-28 Matheus Nunes , Gisele L. Pappa

This study investigates the application of Bayesian Optimization (BO) for the hyperparameter tuning of neural networks, specifically targeting the enhancement of Convolutional Neural Networks (CNN) for image classification tasks. Bayesian…

机器学习 · 计算机科学 2024-10-30 Gabriele Onorato