Unsupervised Representation Learning with Minimax Distance Measures

We investigate the use of Minimax distances to extract in a nonparametric way the features that capture the unknown underlying patterns and structures in the data. We develop a general-purpose and computationally efficient framework to employ Minimax distances with many machine learning methods that perform on numerical data. We study both computing the pairwise Minimax distances for all pairs of objects and as well as computing the Minimax distances of all the objects to/from a fixed (test) object. We first efficiently compute the pairwise Minimax distances between the objects, using the equivalence of Minimax distances over a graph and over a minimum spanning tree constructed on that. Then, we perform an embedding of the pairwise Minimax distances into a new vector space, such that their squared Euclidean distances in the new space equal to the pairwise Minimax distances in the original space. We also study the case of having multiple pairwise Minimax matrices, instead of a single one. Thereby, we propose an embedding via first summing up the centered matrices and then performing an eigenvalue decomposition to obtain the relevant features. In the following, we study computing Minimax distances from a fixed (test) object which can be used for instance in K-nearest neighbor search. Similar to the case of all-pair pairwise Minimax distances, we develop an efficient and general-purpose algorithm that is applicable with any arbitrary base distance measure. Moreover, we investigate in detail the edges selected by the Minimax distances and thereby explore the ability of Minimax distances in detecting outlier objects. Finally, for each setting, we perform several experiments to demonstrate the effectiveness of our framework.Comment: 32 page

Bolt: Accelerated Data Mining with Fast Vector Compression

Vectors of data are at the heart of machine learning and data mining. Recently, vector quantization methods have shown great promise in reducing both the time and space costs of operating on vectors. We introduce a vector quantization algorithm that can compress vectors over 12x faster than existing techniques while also accelerating approximate vector operations such as distance and dot product computations by up to 10x. Because it can encode over 2GB of vectors per second, it makes vector quantization cheap enough to employ in many more circumstances. For example, using our technique to compute approximate dot products in a nested loop can multiply matrices faster than a state-of-the-art BLAS implementation, even when our algorithm must first compress the matrices. In addition to showing the above speedups, we demonstrate that our approach can accelerate nearest neighbor search and maximum inner product search by over 100x compared to floating point operations and up to 10x compared to other vector quantization methods. Our approximate Euclidean distance and dot product computations are not only faster than those of related algorithms with slower encodings, but also faster than Hamming distance computations, which have direct hardware support on the tested platforms. We also assess the errors of our algorithm's approximate distances and dot products, and find that it is competitive with existing, slower vector quantization algorithms.Comment: Research track paper at KDD 201

Hashing for Similarity Search: A Survey

Similarity search (nearest neighbor search) is a problem of pursuing the data items whose distances to a query item are the smallest from a large database. Various methods have been developed to address this problem, and recently a lot of efforts have been devoted to approximate search. In this paper, we present a survey on one of the main solutions, hashing, which has been widely studied since the pioneering work locality sensitive hashing. We divide the hashing algorithms two main categories: locality sensitive hashing, which designs hash functions without exploring the data distribution and learning to hash, which learns hash functions according the data distribution, and review them from various aspects, including hash function design and distance measure and search scheme in the hash coding space

A semismooth newton method for the nearest Euclidean distance matrix problem

The Nearest Euclidean distance matrix problem (NEDM) is a fundamentalcomputational problem in applications such asmultidimensional scaling and molecularconformation from nuclear magnetic resonance data in computational chemistry.Especially in the latter application, the problem is often large scale with the number ofatoms ranging from a few hundreds to a few thousands.In this paper, we introduce asemismooth Newton method that solves the dual problem of (NEDM). We prove that themethod is quadratically convergent.We then present an application of the Newton method to NEDM with $H$-weights.We demonstrate the superior performance of the Newton method over existing methodsincluding the latest quadratic semi-definite programming solver.This research also opens a new avenue towards efficient solution methods for the molecularembedding problem