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Hyperparameters are configuration variables controlling the behavior of machine learning algorithms. They are ubiquitous in machine learning and artificial intelligence and the choice of their values determines the effectiveness of systems…

Microstructures, i.e., architected materials, are designed today, typically, by maximizing an objective, such as bulk modulus, subject to a volume constraint. However, in many applications, it is often more appropriate to impose constraints…

Materials Science · Physics 2022-07-15 Saketh Sridhara , Aaditya Chandrasekhar , Krishnan Suresh

Due to the high computational demands executing a rigorous comparison between hyperparameter optimization (HPO) methods is often cumbersome. The goal of this paper is to facilitate a better empirical evaluation of HPO methods by providing…

Machine Learning · Computer Science 2019-05-14 Aaron Klein , Frank Hutter

Deep learning techniques play an increasingly important role in industrial and research environments due to their outstanding results. However, the large number of hyper-parameters to be set may lead to errors if they are set manually. The…

Machine Learning · Computer Science 2020-06-04 Michele Fraccaroli , Evelina Lamma , Fabrizio Riguzzi

We give a simple, fast algorithm for hyperparameter optimization inspired by techniques from the analysis of Boolean functions. We focus on the high-dimensional regime where the canonical example is training a neural network with a large…

Machine Learning · Computer Science 2018-01-23 Elad Hazan , Adam Klivans , Yang Yuan

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

While Bayesian neural networks (BNNs) have drawn increasing attention, their posterior inference remains challenging, due to the high-dimensional and over-parameterized nature. To address this issue, several highly flexible and scalable…

Machine Learning · Statistics 2019-05-10 Ziyu Wang , Tongzheng Ren , Jun Zhu , Bo Zhang

Neural Combinatorial Optimization attempts to learn good heuristics for solving a set of problems using Neural Network models and Reinforcement Learning. Recently, its good performance has encouraged many practitioners to develop neural…

Artificial Intelligence · Computer Science 2022-05-04 Andoni I. Garmendia , Josu Ceberio , Alexander Mendiburu

Neural network realizes multi-parameter optimization and control by simulating certain mechanisms of the human brain. It can be used in many fields such as signal processing, intelligent driving, optimal combination, vehicle abnormality…

Neural and Evolutionary Computing · Computer Science 2020-11-11 Yu Qi , Zhaolan Zheng

Deep learning models are defined in terms of a large number of hyperparameters, such as network architectures and optimiser settings. These hyperparameters must be determined separately from the model parameters such as network weights, and…

High Energy Physics - Phenomenology · Physics 2024-10-22 Juan Cruz-Martinez , Aaron Jansen , Gijs van Oord , Tanjona R. Rabemananjara , Carlos M. R. Rocha , Juan Rojo , Roy Stegeman

Machine learning algorithms have made remarkable achievements in the field of artificial intelligence. However, most machine learning algorithms are sensitive to the hyper-parameters. Manually optimizing the hyper-parameters is a common…

Machine Learning · Computer Science 2020-03-05 Bozhou Chen , Kaixin Zhang , Longshen Ou , Chenmin Ba , Hongzhi Wang , Chunnan Wang

The paper aims to investigate relevant computational issues of deep neural network architectures with an eye to the interaction between the optimization algorithm and the classification performance. In particular, we aim to analyze the…

Optimization and Control · Mathematics 2024-05-06 Corrado Coppola , Lorenzo Papa , Marco Boresta , Irene Amerini , Laura Palagi

Neural Networks (NNs) are the method of choice for building learning algorithms. Their popularity stems from their empirical success on several challenging learning problems. However, most scholars agree that a convincing theoretical…

Numerical Analysis · Mathematics 2021-01-01 Ronald DeVore , Boris Hanin , Guergana Petrova

Choosing appropriate hyperparameters plays a crucial role in the success of neural networks as hyper-parameters directly control the behavior and performance of the training algorithms. To obtain efficient tuning, Bayesian optimization…

Machine Learning · Statistics 2024-02-08 Jiazhao Zhang , Ying Hung , Chung-Ching Lin , Zicheng Liu

Sampling-based motion planning algorithms have been continuously developed for more than two decades. Apart from mobile robots, they are also widely used in manipulator motion planning. Hence, these methods play a key role in collaborative…

Robotics · Computer Science 2023-07-13 Carl Gaebert , Sascha Kaden , Benjamin Fischer , Ulrike Thomas

Machine learning methods usually depend on internal parameters -- so called hyperparameters -- that need to be optimized for best performance. Such optimization poses a burden on machine learning practitioners, requiring expert knowledge,…

Chemical Physics · Physics 2020-04-03 Annika Stuke , Patrick Rinke , Milica Todorović

Modern applications of atomic physics, including the determination of frequency standards, and the analysis of astrophysical spectra, require prediction of atomic properties with exquisite accuracy. For complex atomic systems,…

Atomic Physics · Physics 2024-08-02 Pavlo Bilous , Charles Cheung , Marianna Safronova

Most learning algorithms require the practitioner to manually set the values of many hyperparameters before the learning process can begin. However, with modern algorithms, the evaluation of a given hyperparameter setting can take a…

Neural and Evolutionary Computing · Computer Science 2018-07-20 Tobias Hinz , Nicolás Navarro-Guerrero , Sven Magg , Stefan Wermter

Many computer vision algorithms depend on a variety of parameter choices and settings that are typically hand-tuned in the course of evaluating the algorithm. While such parameter tuning is often presented as being incidental to the…

Computer Vision and Pattern Recognition · Computer Science 2012-09-25 J. Bergstra , D. Yamins , D. D. Cox

Training time budget and size of the dataset are among the factors affecting the performance of a Deep Neural Network (DNN). This paper shows that Neural Architecture Search (NAS), Hyper Parameters Optimization (HPO), and Data Augmentation…

Machine Learning · Computer Science 2023-01-24 Mahdi Zolnouri , Dounia Lakhmiri , Christophe Tribes , Eyyüb Sari , Sébastien Le Digabel