Binary Bleed: Fast Distributed and Parallel Method for Automatic Model Selection

In several Machine Learning (ML) clustering and dimensionality reduction approaches, such as nonnegative matrix factorization (NMF), RESCAL, and K-Means clustering, users must select a hyper-parameter <tex xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">$k$</tex> to define the number of clusters or components that yield an ideal separation of samples or clean clusters. This selection, while difficult, is crucial to avoid overfitting or underfitting the data. Several ML applications use scoring methods (e.g., Silhouette and Davies Boulding scores) to evaluate the cluster pattern stability for a specific <tex xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">$k$</tex>. The score is calculated for different trials over a range of <tex xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">$k$</tex>, and the ideal <tex xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">$k$</tex> is heuristically selected as the value before the model starts overfitting, indicated by a drop or increase in the score resembling an elbow curve plot. While the grid-search method can be used to accurately find a good <tex xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">$k$</tex> value, visiting a range of <tex xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">$k$</tex> can become time-consuming and computationally resource-intensive. In this paper, we introduce the Binary Bleed method based on binary search, which significantly reduces the <tex xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">$k$</tex> search space for these grid-search ML algorithms by truncating the target <tex xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">$k$</tex> values from the search space using a heuristic with thresholding over the scores. Binary Bleed is designed to work with single-node serial, single-node multi-processing, and distributed computing resources. In our experiments, we demonstrate the reduced search space gain over a naive sequential search of the ideal <tex xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">$k$</tex> and the accuracy of the Binary Bleed in identifying the correct <tex xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">$k$</tex> for NMFk, K-Means pyDNMFk, and pyDRESCALk with Silhouette and Davies Boulding scores. We make our implementation of Binary Bleed for the NMF algorithm available on GitHub.