Rethinking Default Values: a Low Cost and Efficient Strategy to Define Hyperparameters

Machine Learning (ML) algorithms have been increasingly applied to problems from several different areas. Despite their growing popularity, their predictive performance is usually affected by the values assigned to their hyperparameters (HPs). As consequence, researchers and practitioners face the challenge of how to set these values. Many users have limited knowledge about ML algorithms and the effect of their HP values and, therefore, do not take advantage of suitable settings. They usually define the HP values by trial and error, which is very subjective, not guaranteed to find good values and dependent on the user experience. Tuning techniques search for HP values able to maximize the predictive performance of induced models for a given dataset, but have the drawback of a high computational cost. Thus, practitioners use default values suggested by the algorithm developer or by tools implementing the algorithm. Although default values usually result in models with acceptable predictive performance, different implementations of the same algorithm can suggest distinct default values. To maintain a balance between tuning and using default values, we propose a strategy to generate new optimized default values. Our approach is grounded on a small set of optimized values able to obtain predictive performance values better than default settings provided by popular tools. After performing a large experiment and a careful analysis of the results, we concluded that our approach delivers better default values. Besides, it leads to competitive solutions when compared to tuned values, making it easier to use and having a lower cost. We also extracted simple rules to guide practitioners in deciding whether to use our new methodology or a HP tuning approach.Comment: 44 pages, 13 figure

Automatic selection of clustering algorithms using supervised graph embedding

The widespread adoption of machine learning (ML) techniques and the extensive expertise required to apply them have led to increased interest in automated ML solutions that reduce the need for human intervention. One of the main challenges in applying ML to previously unseen problems is algorithm selection - the identification of high-performing algorithm(s) for a given dataset, task, and evaluation measure. This study addresses the algorithm selection challenge for data clustering, a fundamental task in data mining that is aimed at grouping similar objects. We present MARCO-GE, a novel meta-learning approach for the automated recommendation of clustering algorithms. MARCO-GE first transforms datasets into graphs and then utilizes a graph convolutional neural network technique to extract their latent representation. Using the embedding representations obtained, MARCO-GE trains a ranking meta-model capable of accurately recommending top-performing algorithms for a new dataset and clustering evaluation measure. Extensive evaluation on 210 datasets, 13 clustering algorithms, and 10 clustering measures demonstrates the effectiveness of our approach and its superiority in terms of predictive and generalization performance over state-of-the-art clustering meta-learning approaches

A meta-learning recommender system for hyperparameter tuning: predicting when tuning improves SVM classifiers

For many machine learning algorithms, predictive performance is critically affected by the hyperparameter values used to train them. However, tuning these hyperparameters can come at a high computational cost, especially on larger datasets, while the tuned settings do not always significantly outperform the default values. This paper proposes a recommender system based on meta-learning to identify exactly when it is better to use default values and when to tune hyperparameters for each new dataset. Besides, an in-depth analysis is performed to understand what they take into account for their decisions, providing useful insights. An extensive analysis of different categories of meta-features, meta-learners, and setups across 156 datasets is performed. Results show that it is possible to accurately predict when tuning will significantly improve the performance of the induced models. The proposed system reduces the time spent on optimization processes, without reducing the predictive performance of the induced models (when compared with the ones obtained using tuned hyperparameters). We also explain the decision-making process of the meta-learners in terms of linear separability-based hypotheses. Although this analysis is focused on the tuning of Support Vector Machines, it can also be applied to other algorithms, as shown in experiments performed with decision trees.Comment: 49 pages, 11 figure