Graph kernels between point clouds

Point clouds are sets of points in two or three dimensions. Most kernel methods for learning on sets of points have not yet dealt with the specific geometrical invariances and practical constraints associated with point clouds in computer vision and graphics. In this paper, we present extensions of graph kernels for point clouds, which allow to use kernel methods for such ob jects as shapes, line drawings, or any three-dimensional point clouds. In order to design rich and numerically efficient kernels with as few free parameters as possible, we use kernels between covariance matrices and their factorizations on graphical models. We derive polynomial time dynamic programming recursions and present applications to recognition of handwritten digits and Chinese characters from few training examples

Mining Point Cloud Local Structures by Kernel Correlation and Graph Pooling

Unlike on images, semantic learning on 3D point clouds using a deep network is challenging due to the naturally unordered data structure. Among existing works, PointNet has achieved promising results by directly learning on point sets. However, it does not take full advantage of a point's local neighborhood that contains fine-grained structural information which turns out to be helpful towards better semantic learning. In this regard, we present two new operations to improve PointNet with a more efficient exploitation of local structures. The first one focuses on local 3D geometric structures. In analogy to a convolution kernel for images, we define a point-set kernel as a set of learnable 3D points that jointly respond to a set of neighboring data points according to their geometric affinities measured by kernel correlation, adapted from a similar technique for point cloud registration. The second one exploits local high-dimensional feature structures by recursive feature aggregation on a nearest-neighbor-graph computed from 3D positions. Experiments show that our network can efficiently capture local information and robustly achieve better performances on major datasets. Our code is available at http://www.merl.com/research/license#KCNetComment: Accepted in CVPR'18. *indicates equal contributio

Identification of functionally related enzymes by learning-to-rank methods

Enzyme sequences and structures are routinely used in the biological sciences as queries to search for functionally related enzymes in online databases. To this end, one usually departs from some notion of similarity, comparing two enzymes by looking for correspondences in their sequences, structures or surfaces. For a given query, the search operation results in a ranking of the enzymes in the database, from very similar to dissimilar enzymes, while information about the biological function of annotated database enzymes is ignored. In this work we show that rankings of that kind can be substantially improved by applying kernel-based learning algorithms. This approach enables the detection of statistical dependencies between similarities of the active cleft and the biological function of annotated enzymes. This is in contrast to search-based approaches, which do not take annotated training data into account. Similarity measures based on the active cleft are known to outperform sequence-based or structure-based measures under certain conditions. We consider the Enzyme Commission (EC) classification hierarchy for obtaining annotated enzymes during the training phase. The results of a set of sizeable experiments indicate a consistent and significant improvement for a set of similarity measures that exploit information about small cavities in the surface of enzymes

Propagation Kernels

We introduce propagation kernels, a general graph-kernel framework for efficiently measuring the similarity of structured data. Propagation kernels are based on monitoring how information spreads through a set of given graphs. They leverage early-stage distributions from propagation schemes such as random walks to capture structural information encoded in node labels, attributes, and edge information. This has two benefits. First, off-the-shelf propagation schemes can be used to naturally construct kernels for many graph types, including labeled, partially labeled, unlabeled, directed, and attributed graphs. Second, by leveraging existing efficient and informative propagation schemes, propagation kernels can be considerably faster than state-of-the-art approaches without sacrificing predictive performance. We will also show that if the graphs at hand have a regular structure, for instance when modeling image or video data, one can exploit this regularity to scale the kernel computation to large databases of graphs with thousands of nodes. We support our contributions by exhaustive experiments on a number of real-world graphs from a variety of application domains