Maximum Inner-Product Search using Tree Data-structures

The problem of {\em efficiently} finding the best match for a query in a given set with respect to the Euclidean distance or the cosine similarity has been extensively studied in literature. However, a closely related problem of efficiently finding the best match with respect to the inner product has never been explored in the general setting to the best of our knowledge. In this paper we consider this general problem and contrast it with the existing best-match algorithms. First, we propose a general branch-and-bound algorithm using a tree data structure. Subsequently, we present a dual-tree algorithm for the case where there are multiple queries. Finally we present a new data structure for increasing the efficiency of the dual-tree algorithm. These branch-and-bound algorithms involve novel bounds suited for the purpose of best-matching with inner products. We evaluate our proposed algorithms on a variety of data sets from various applications, and exhibit up to five orders of magnitude improvement in query time over the naive search technique.Comment: Under submission in KDD 201

On the Sample Complexity of Predictive Sparse Coding

The goal of predictive sparse coding is to learn a representation of examples as sparse linear combinations of elements from a dictionary, such that a learned hypothesis linear in the new representation performs well on a predictive task. Predictive sparse coding algorithms recently have demonstrated impressive performance on a variety of supervised tasks, but their generalization properties have not been studied. We establish the first generalization error bounds for predictive sparse coding, covering two settings: 1) the overcomplete setting, where the number of features k exceeds the original dimensionality d; and 2) the high or infinite-dimensional setting, where only dimension-free bounds are useful. Both learning bounds intimately depend on stability properties of the learned sparse encoder, as measured on the training sample. Consequently, we first present a fundamental stability result for the LASSO, a result characterizing the stability of the sparse codes with respect to perturbations to the dictionary. In the overcomplete setting, we present an estimation error bound that decays as \tilde{O}(sqrt(d k/m)) with respect to d and k. In the high or infinite-dimensional setting, we show a dimension-free bound that is \tilde{O}(sqrt(k^2 s / m)) with respect to k and s, where s is an upper bound on the number of non-zeros in the sparse code for any training data point.Comment: Sparse Coding Stability Theorem from version 1 has been relaxed considerably using a new notion of coding margin. Old Sparse Coding Stability Theorem still in new version, now as Theorem 2. Presentation of all proofs simplified/improved considerably. Paper reorganized. Empirical analysis showing new coding margin is non-trivial on real dataset

Automatic Derivation of Statistical Algorithms: The EM Family and Beyond

Machine learning has reached a point where many probabilistic methods can be understood as variations, extensions and combinations of a much smaller set of abstract themes, e.g., as different instances of the EM algorithm. This enables the systematic derivation of algorithms customized for different models. Here, we describe the AUTOBAYES system which takes a high-level statistical model specification, uses powerful symbolic techniques based on schema-based program synthesis and computer algebra to derive an efficient specialized algorithm for learning that model, and generates executable code implementing that algorithm. This capability is far beyond that of code collections such as Matlab toolboxes or even tools for model-independent optimization such as BUGS for Gibbs sampling: complex new algorithms can be generated without new programming, algorithms can be highly specialized and tightly crafted for the exact structure of the model and data, and efficient and commented code can be generated for different languages or systems. We present automatically-derived algorithms ranging from closed-form solutions of Bayesian textbook problems to recently-proposed EM algorithms for clustering, regression, and a multinomial form of PCA

Multibody Multipole Methods

A three-body potential function can account for interactions among triples of particles which are uncaptured by pairwise interaction functions such as Coulombic or Lennard-Jones potentials. Likewise, a multibody potential of order $n$ can account for interactions among $n$-tuples of particles uncaptured by interaction functions of lower orders. To date, the computation of multibody potential functions for a large number of particles has not been possible due to its $O(N^n)$ scaling cost. In this paper we describe a fast tree-code for efficiently approximating multibody potentials that can be factorized as products of functions of pairwise distances. For the first time, we show how to derive a Barnes-Hut type algorithm for handling interactions among more than two particles. Our algorithm uses two approximation schemes: 1) a deterministic series expansion-based method; 2) a Monte Carlo-based approximation based on the central limit theorem. Our approach guarantees a user-specified bound on the absolute or relative error in the computed potential with an asymptotic probability guarantee. We provide speedup results on a three-body dispersion potential, the Axilrod-Teller potential.Comment: To appear in Journal of Computational Physic