On Hyperparameter Optimization of Machine Learning Algorithms: Theory and Practice

Machine learning algorithms have been used widely in various applications and areas. To fit a machine learning model into different problems, its hyper-parameters must be tuned. Selecting the best hyper-parameter configuration for machine learning models has a direct impact on the model's performance. It often requires deep knowledge of machine learning algorithms and appropriate hyper-parameter optimization techniques. Although several automatic optimization techniques exist, they have different strengths and drawbacks when applied to different types of problems. In this paper, optimizing the hyper-parameters of common machine learning models is studied. We introduce several state-of-the-art optimization techniques and discuss how to apply them to machine learning algorithms. Many available libraries and frameworks developed for hyper-parameter optimization problems are provided, and some open challenges of hyper-parameter optimization research are also discussed in this paper. Moreover, experiments are conducted on benchmark datasets to compare the performance of different optimization methods and provide practical examples of hyper-parameter optimization. This survey paper will help industrial users, data analysts, and researchers to better develop machine learning models by identifying the proper hyper-parameter configurations effectively.Comment: 69 Pages, 10 tables, accepted in Neurocomputing, Elsevier. Github link: https://github.com/LiYangHart/Hyperparameter-Optimization-of-Machine-Learning-Algorithm

A Particle Swarm Optimization-based Flexible Convolutional Auto-Encoder for Image Classification

Convolutional auto-encoders have shown their remarkable performance in stacking to deep convolutional neural networks for classifying image data during past several years. However, they are unable to construct the state-of-the-art convolutional neural networks due to their intrinsic architectures. In this regard, we propose a flexible convolutional auto-encoder by eliminating the constraints on the numbers of convolutional layers and pooling layers from the traditional convolutional auto-encoder. We also design an architecture discovery method by using particle swarm optimization, which is capable of automatically searching for the optimal architectures of the proposed flexible convolutional auto-encoder with much less computational resource and without any manual intervention. We use the designed architecture optimization algorithm to test the proposed flexible convolutional auto-encoder through utilizing one graphic processing unit card on four extensively used image classification datasets. Experimental results show that our work in this paper significantly outperform the peer competitors including the state-of-the-art algorithm.Comment: Accepted by IEEE Transactions on Neural Networks and Learning Systems, 201

An Evolutionary Optimization Algorithm for Automated Classical Machine Learning

Machine learning is an evolving branch of computational algorithms that allow computers to learn from experiences, make predictions, and solve different problems without being explicitly programmed. However, building a useful machine learning model is a challenging process, requiring human expertise to perform various proper tasks and ensure that the machine learning\u27s primary objective --determining the best and most predictive model-- is achieved. These tasks include pre-processing, feature selection, and model selection. Many machine learning models developed by experts are designed manually and by trial and error. In other words, even experts need the time and resources to create good predictive machine learning models. The idea of automated machine learning (AutoML) is to automate a machine learning pipeline to release the burden of substantial development costs and manual processes. The algorithms leveraged in these systems have different hyper-parameters. On the other hand, different input datasets have various features. In both cases, the final performance of the model is closely related to the final selected configuration of features and hyper-parameters. That is why they are considered as crucial tasks in the AutoML. The challenges regarding the computationally expensive nature of tuning hyper-parameters and optimally selecting features create significant opportunities for filling the research gaps in the AutoML field. This dissertation explores how to select the features and tune the hyper-parameters of conventional machine learning algorithms efficiently and automatically. To address the challenges in the AutoML area, novel algorithms for hyper-parameter tuning and feature selection are proposed. The hyper-parameter tuning algorithm aims to provide the optimal set of hyper-parameters in three conventional machine learning models (Random Forest, XGBoost and Support Vector Machine) to obtain best scores regarding performance. On the other hand, the feature selection algorithm looks for the optimal subset of features to achieve the highest performance. Afterward, a hybrid framework is designed for both hyper-parameter tuning and feature selection. The proposed framework can discover close to the optimal configuration of features and hyper-parameters. The proposed framework includes the following components: (1) an automatic feature selection component based on artificial bee colony algorithms and machine learning training, and (2) an automatic hyper-parameter tuning component based on artificial bee colony algorithms and machine learning training for faster training and convergence of the learning models. The whole framework has been evaluated using four real-world datasets in different applications. This framework is an attempt to alleviate the challenges of hyper-parameter tuning and feature selection by using efficient algorithms. However, distributed processing, distributed learning, parallel computing, and other big data solutions are not taken into consideration in this framework

Automatic machine learning:methods, systems, challenges

This open access book presents the first comprehensive overview of general methods in Automatic Machine Learning (AutoML), collects descriptions of existing systems based on these methods, and discusses the first international challenge of AutoML systems. The book serves as a point of entry into this quickly-developing field for researchers and advanced students alike, as well as providing a reference for practitioners aiming to use AutoML in their work. The recent success of commercial ML applications and the rapid growth of the field has created a high demand for off-the-shelf ML methods that can be used easily and without expert knowledge. Many of the recent machine learning successes crucially rely on human experts, who select appropriate ML architectures (deep learning architectures or more traditional ML workflows) and their hyperparameters; however the field of AutoML targets a progressive automation of machine learning, based on principles from optimization and machine learning itself

State-of-the-art in aerodynamic shape optimisation methods

Aerodynamic optimisation has become an indispensable component for any aerodynamic design over the past 60 years, with applications to aircraft, cars, trains, bridges, wind turbines, internal pipe flows, and cavities, among others, and is thus relevant in many facets of technology. With advancements in computational power, automated design optimisation procedures have become more competent, however, there is an ambiguity and bias throughout the literature with regards to relative performance of optimisation architectures and employed algorithms. This paper provides a well-balanced critical review of the dominant optimisation approaches that have been integrated with aerodynamic theory for the purpose of shape optimisation. A total of 229 papers, published in more than 120 journals and conference proceedings, have been classified into 6 different optimisation algorithm approaches. The material cited includes some of the most well-established authors and publications in the field of aerodynamic optimisation. This paper aims to eliminate bias toward certain algorithms by analysing the limitations, drawbacks, and the benefits of the most utilised optimisation approaches. This review provides comprehensive but straightforward insight for non-specialists and reference detailing the current state for specialist practitioners

Bio-inspired computation: where we stand and what's next

In recent years, the research community has witnessed an explosion of literature dealing with the adaptation of behavioral patterns and social phenomena observed in nature towards efficiently solving complex computational tasks. This trend has been especially dramatic in what relates to optimization problems, mainly due to the unprecedented complexity of problem instances, arising from a diverse spectrum of domains such as transportation, logistics, energy, climate, social networks, health and industry 4.0, among many others. Notwithstanding this upsurge of activity, research in this vibrant topic should be steered towards certain areas that, despite their eventual value and impact on the field of bio-inspired computation, still remain insufficiently explored to date. The main purpose of this paper is to outline the state of the art and to identify open challenges concerning the most relevant areas within bio-inspired optimization. An analysis and discussion are also carried out over the general trajectory followed in recent years by the community working in this field, thereby highlighting the need for reaching a consensus and joining forces towards achieving valuable insights into the understanding of this family of optimization techniques