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Parametric UMAP Embeddings for Representation and Semisupervised Learning.

Tim Sainburg1, Leland McInnes2, Timothy Q Gentner3

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Parametric UMAP extends the dimensionality reduction algorithm using neural networks for faster embeddings and improved performance. This approach enhances autoencoders and semisupervised learning by preserving data structure.

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Area of Science:

  • Machine Learning
  • Data Science
  • Computational Topology

Background:

  • Uniform Manifold Approximation and Projection (UMAP) is a powerful nonparametric method for dimensionality reduction.
  • UMAP leverages Riemannian geometry and algebraic topology to create low-dimensional embeddings of complex data structures.
  • The standard UMAP algorithm involves graph construction and stochastic gradient descent optimization.

Purpose of the Study:

  • To extend the UMAP algorithm by introducing a parametric optimization approach using neural networks.
  • To enable fast, online embeddings for new data points through a learned parametric mapping.
  • To explore the application of parametric UMAP as a regularization technique and for enhancing semisupervised learning.

Main Methods:

  • Developed a parametric extension of the UMAP algorithm by optimizing neural network weights.
  • Implemented stochastic gradient descent for optimizing the low-dimensional embedding based on neural network parameters.
  • Integrated parametric UMAP into autoencoder architectures and semisupervised learning frameworks.

Main Results:

  • Parametric UMAP demonstrated performance comparable to the original nonparametric UMAP.
  • The learned parametric mapping allows for rapid embedding of new data points.
  • Utilizing UMAP as a regularization improved classifier accuracy in semisupervised learning tasks by effectively capturing unlabeled data structure.

Conclusions:

  • The parametric UMAP framework offers a computationally efficient and effective alternative to nonparametric methods.
  • Parametric UMAP provides a flexible tool for various machine learning applications, including representation learning and semi-supervised classification.
  • This research highlights the potential of integrating deep learning with topological data analysis for advanced data embedding and analysis.