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Deep Kernel Learning

arXiv.org Machine Learning

We introduce scalable deep kernels, which combine the structural properties of deep learning architectures with the non-parametric flexibility of kernel methods. Specifically, we transform the inputs of a spectral mixture base kernel with a deep architecture, using local kernel interpolation, inducing points, and structure exploiting (Kronecker and Toeplitz) algebra for a scalable kernel representation. These closed-form kernels can be used as drop-in replacements for standard kernels, with benefits in expressive power and scalability. We jointly learn the properties of these kernels through the marginal likelihood of a Gaussian process. Inference and learning cost $O(n)$ for $n$ training points, and predictions cost $O(1)$ per test point. On a large and diverse collection of applications, including a dataset with 2 million examples, we show improved performance over scalable Gaussian processes with flexible kernel learning models, and stand-alone deep architectures.


An Extended Frank-Wolfe Method with "In-Face" Directions, and its Application to Low-Rank Matrix Completion

arXiv.org Machine Learning

Motivated principally by the low-rank matrix completion problem, we present an extension of the Frank-Wolfe method that is designed to induce near-optimal solutions on low-dimensional faces of the feasible region. This is accomplished by a new approach to generating ``in-face" directions at each iteration, as well as through new choice rules for selecting between in-face and ``regular" Frank-Wolfe steps. Our framework for generating in-face directions generalizes the notion of away-steps introduced by Wolfe. In particular, the in-face directions always keep the next iterate within the minimal face containing the current iterate. We present computational guarantees for the new method that trade off efficiency in computing near-optimal solutions with upper bounds on the dimension of minimal faces of iterates. We apply the new method to the matrix completion problem, where low-dimensional faces correspond to low-rank matrices. We present computational results that demonstrate the effectiveness of our methodological approach at producing nearly-optimal solutions of very low rank. On both artificial and real datasets, we demonstrate significant speed-ups in computing very low-rank nearly-optimal solutions as compared to either the Frank-Wolfe method or its traditional away-step variant.


Optimal Non-Asymptotic Lower Bound on the Minimax Regret of Learning with Expert Advice

arXiv.org Machine Learning

We prove non-asymptotic lower bounds on the expectation of the maximum of $d$ independent Gaussian variables and the expectation of the maximum of $d$ independent symmetric random walks. Both lower bounds recover the optimal leading constant in the limit. A simple application of the lower bound for random walks is an (asymptotically optimal) non-asymptotic lower bound on the minimax regret of online learning with expert advice.


Neutralized Empirical Risk Minimization with Generalization Neutrality Bound

arXiv.org Machine Learning

Currently, machine learning plays an important role in the lives and individual activities of numerous people. Accordingly, it has become necessary to design machine learning algorithms to ensure that discrimination, biased views, or unfair treatment do not result from decision making or predictions made via machine learning. In this work, we introduce a novel empirical risk minimization (ERM) framework for supervised learning, neutralized ERM (NERM) that ensures that any classifiers obtained can be guaranteed to be neutral with respect to a viewpoint hypothesis. More specifically, given a viewpoint hypothesis, NERM works to find a target hypothesis that minimizes the empirical risk while simultaneously identifying a target hypothesis that is neutral to the viewpoint hypothesis. Within the NERM framework, we derive a theoretical bound on empirical and generalization neutrality risks. Furthermore, as a realization of NERM with linear classification, we derive a max-margin algorithm, neutral support vector machine (SVM). Experimental results show that our neutral SVM shows improved classification performance in real datasets without sacrificing the neutrality guarantee.


Bayesian Dark Knowledge

arXiv.org Machine Learning

We consider the problem of Bayesian parameter estimation for deep neural networks, which is important in problem settings where we may have little data, and/ or where we need accurate posterior predictive densities, e.g., for applications involving bandits or active learning. One simple approach to this is to use online Monte Carlo methods, such as SGLD (stochastic gradient Langevin dynamics). Unfortunately, such a method needs to store many copies of the parameters (which wastes memory), and needs to make predictions using many versions of the model (which wastes time). We describe a method for "distilling" a Monte Carlo approximation to the posterior predictive density into a more compact form, namely a single deep neural network. We compare to two very recent approaches to Bayesian neural networks, namely an approach based on expectation propagation [Hernandez-Lobato and Adams, 2015] and an approach based on variational Bayes [Blundell et al., 2015]. Our method performs better than both of these, is much simpler to implement, and uses less computation at test time.


Hierarchical Coupled Geometry Analysis for Neuronal Structure and Activity Pattern Discovery

arXiv.org Machine Learning

A fundamental goal in neuroscience is to understand how information is represented, stored and modified in cortical networks. New experimental methods in neuroscience not only enable chronic, minimally invasive, recordings of large populations of neurons with cellular level resolution, but also allow recordings from identified neuronal subtypes [1]. The ability to acquire complex large-scale detailed behavioral and neuronal datasets calls for the development of advanced data analysis tools, as commonly used techniques do not suffice to capture the spatiotemporal network complexity. Such a framework should deal effectively with the challenging characteristics of neuronal and behavioral data, namely connectivity structures between neurons and dynamic patterns at multiple timescales. Due to natural and physical constraints, the accessible highdimensional data often exhibit geometric structures and lie on a low-dimensional manifold. Manifold learning is a class of data driven methods; these methods aim to find meaningful geometry-based nonlinear representations that parametrize the manifold underlying the data [2]-[6]. Only very recently have we begun to witness seeds of its applicability to real biological data, and, in particular, to neuroscience (e.g., [7], [8]).


Interpretable classifiers using rules and Bayesian analysis: Building a better stroke prediction model

arXiv.org Machine Learning

We aim to produce predictive models that are not only accurate, but are also interpretable to human experts. Our models are decision lists, which consist of a series of if...then... statements (e.g., if high blood pressure, then stroke) that discretize a high-dimensional, multivariate feature space into a series of simple, readily interpretable decision statements. We introduce a generative model called Bayesian Rule Lists that yields a posterior distribution over possible decision lists. It employs a novel prior structure to encourage sparsity. Our experiments show that Bayesian Rule Lists has predictive accuracy on par with the current top algorithms for prediction in machine learning. Our method is motivated by recent developments in personalized medicine, and can be used to produce highly accurate and interpretable medical scoring systems. We demonstrate this by producing an alternative to the CHADS$_2$ score, actively used in clinical practice for estimating the risk of stroke in patients that have atrial fibrillation. Our model is as interpretable as CHADS$_2$, but more accurate.


Point Localization and Density Estimation from Ordinal kNN graphs using Synchronization

arXiv.org Machine Learning

We consider the problem of embedding unweighted, directed k-nearest neighbor graphs in low-dimensional Euclidean space. The k-nearest neighbors of each vertex provides ordinal information on the distances between points, but not the distances themselves. We use this ordinal information along with the low-dimensionality to recover the coordinates of the points up to arbitrary similarity transformations (rigid transformations and scaling). Furthermore, we also illustrate the possibility of robustly recovering the underlying density via the Total Variation Maximum Penalized Likelihood Estimation (TV-MPLE) method. We make existing approaches scalable by using an instance of a local-to-global algorithm based on group synchronization, recently proposed in the literature in the context of sensor network localization and structural biology, which we augment with a scaling synchronization step. We demonstrate the scalability of our approach on large graphs, and show how it compares to the Local Ordinal Embedding (LOE) algorithm, which was recently proposed for recovering the configuration of a cloud of points from pairwise ordinal comparisons between a sparse set of distances.


Thoughts on Massively Scalable Gaussian Processes

arXiv.org Machine Learning

We introduce a framework and early results for massively scalable Gaussian processes (MSGP), significantly extending the KISS-GP approach of Wilson and Nickisch (2015). The MSGP framework enables the use of Gaussian processes (GPs) on billions of datapoints, without requiring distributed inference, or severe assumptions. In particular, MSGP reduces the standard $O(n^3)$ complexity of GP learning and inference to $O(n)$, and the standard $O(n^2)$ complexity per test point prediction to $O(1)$. MSGP involves 1) decomposing covariance matrices as Kronecker products of Toeplitz matrices approximated by circulant matrices. This multi-level circulant approximation allows one to unify the orthogonal computational benefits of fast Kronecker and Toeplitz approaches, and is significantly faster than either approach in isolation; 2) local kernel interpolation and inducing points to allow for arbitrarily located data inputs, and $O(1)$ test time predictions; 3) exploiting block-Toeplitz Toeplitz-block structure (BTTB), which enables fast inference and learning when multidimensional Kronecker structure is not present; and 4) projections of the input space to flexibly model correlated inputs and high dimensional data. The ability to handle many ($m \approx n$) inducing points allows for near-exact accuracy and large scale kernel learning.


Sparse approximation by greedy algorithms

arXiv.org Machine Learning

It is a survey on recent results in constructive sparse approximation. Three directions are discussed here: (1) Lebesgue-type inequalities for greedy algorithms with respect to a special class of dictionaries, (2) constructive sparse approximation with respect to the trigonometric system, (3) sparse approximation with respect to dictionaries with tensor product structure. In all three cases constructive ways are provided for sparse approximation. The technique used is based on fundamental results from the theory of greedy approximation. In particular, results in the direction (1) are based on deep methods developed recently in compressed sensing. We present some of these results with detailed proofs.