We present two graph-based algorithms for multiclass segmentation of high-dimensional data, motivated by the binary diffuse interface model. One algorithm generalizes Ginzburg-Landau (GL) functional minimization on graphs to the Gibbs simplex. The other algorithm uses a reduction of GL minimization, based on the Merriman-Bence-Osher scheme for motion by mean curvature. These yield accurate and efficient algorithms for semi-supervised learning. Our algorithms outperform existing methods, including supervised learning approaches, on the benchmark datasets that we used. We refer to Garcia-Cardona (2014) for a more detailed illustration of the methods, as well as different experimental examples. © 2014 Elsevier Ltd. All rights reserved.

We present two graph-based algorithms for multiclass segmentation of high-dimensional data on graphs. The algorithms use a diffuse interface model based on the Ginzburg-Landau functional, related to total variation and graph cuts. A multiclass extension is introduced using the Gibbs simplex, with the functional's double-well potential modified to handle the multiclass case. The first algorithm minimizes the functional using a convex splitting numerical scheme. The second algorithm uses a graph adaptation of the classical numerical Merriman-Bence-Osher (MBO) scheme, which alternates between diffusion and thresholding. We demonstrate the performance of both algorithms experimentally on synthetic data, image labeling, and several benchmark data sets such as MNIST, COIL and WebKB. We also make use of fast numerical solvers for finding the eigenvectors and eigenvalues of the graph Laplacian, and take advantage of the sparsity of the matrix. Experiments indicate that the results are competitive with or better than the current state-of-the-art in multiclass graph-based segmentation algorithms for high-dimensional data.

Rapid growth in data, computational methods, and computing power is driving a remarkable revolution in what variously is termed machine learning (ML), statistical learning, computational learning, and artificial intelligence. In addition to highly visible successes in machine-based natural language translation, playing the game Go, and self-driving cars, these new technologies also have profound implications for computational and experimental science and engineering, as well as for the exascale computing systems that the Department of Energy (DOE) is developing to support those disciplines. Not only do these learning technologies open up exciting opportunities for scientific discovery on exascale systems, they also appear poised to have important implications for the design and use of exascale computers themselves, including high-performance computing (HPC) for ML and ML for HPC. The overarching goal of the ExaLearn co-design project is to provide exascale ML software for use by Exascale Computing Project (ECP) applications, other ECP co-design centers, and DOE experimental facilities and leadership class computing facilities.