We introduce a novel algorithm that computes the $k$-sparse principal component of a positive semidefinite matrix $A$. Our algorithm is combinatorial and operates by examining a discrete set of special vectors lying in a low-dimensional eigen-subspace of $A$. We obtain provable approximation guarantees that depend on the spectral decay profile of the matrix: the faster the eigenvalue decay, the better the quality of our approximation. For example, if the eigenvalues of $A$ follow a power-law decay, we obtain a polynomial-time approximation algorithm for any desired accuracy. A key algorithmic component of our scheme is a combinatorial feature elimination step that is provably safe and in practice significantly reduces the running complexity of our algorithm. We implement our algorithm and test it on multiple artificial and real data sets. Due to the feature elimination step, it is possible to perform sparse PCA on data sets consisting of millions of entries in a few minutes. Our experimental evaluation shows that our scheme is nearly optimal while finding very sparse vectors. We compare to the prior state of the art and show that our scheme matches or outperforms previous algorithms in all tested data sets.

Social media systems rely on user feedback and rating mechanisms for personalization, ranking, and content filtering. However, when users evaluate content contributed by fellow users (e.g., by liking a post or voting on a comment), these evaluations create complex social feedback effects. This paper investigates how ratings on a piece of content affect its author's future behavior. By studying four large comment-based news communities, we find that negative feedback leads to significant behavioral changes that are detrimental to the community. Not only do authors of negatively-evaluated content contribute more, but also their future posts are of lower quality, and are perceived by the community as such. Moreover, these authors are more likely to subsequently evaluate their fellow users negatively, percolating these effects through the community. In contrast, positive feedback does not carry similar effects, and neither encourages rewarded authors to write more, nor improves the quality of their posts. Interestingly, the authors that receive no feedback are most likely to leave a community. Furthermore, a structural analysis of the voter network reveals that evaluations polarize the community the most when positive and negative votes are equally split.

We present a machine learning framework for modeling protein dynamics. Our approach uses L1-regularized, reversible hidden Markov models to understand large protein datasets generated via molecular dynamics simulations. Our model is motivated by three design principles: (1) the requirement of massive scalability; (2) the need to adhere to relevant physical law; and (3) the necessity of providing accessible interpretations, critical for both cellular biology and rational drug design. We present an EM algorithm for learning and introduce a model selection criteria based on the physical notion of convergence in relaxation timescales. We contrast our model with standard methods in biophysics and demonstrate improved robustness. We implement our algorithm on GPUs and apply the method to two large protein simulation datasets generated respectively on the NCSA Bluewaters supercomputer and the Folding@Home distributed computing network. Our analysis identifies the conformational dynamics of the ubiquitin protein critical to cellular signaling, and elucidates the stepwise activation mechanism of the c-Src kinase protein.

We consider the question of learning in general topological vector spaces. By exploiting known (or parametrized) covariance structures, our Main Theorem demonstrates that any continuous linear map corresponds to a certain isomorphism of embedded Hilbert spaces. By inverting this isomorphism and extending continuously, we construct a version of the Ordinary Least Squares estimator in absolute generality. Our Gauss-Markov theorem demonstrates that OLS is a "best linear unbiased estimator", extending the classical result. We construct a stochastic version of the OLS estimator, which is a continuous disintegration exactly for the class of "uncorrelated implies independent" (UII) measures. As a consequence, Gaussian measures always exhibit continuous disintegrations through continuous linear maps, extending a theorem of the first author. Applying this framework to some problems in machine learning, we prove a useful representation theorem for covariance tensors, and show that OLS defines a good kriging predictor for vector-valued arrays on general index spaces. We also construct a support-vector machine classifier in this setting. We hope that our article shines light on some deeper connections between probability theory, statistics and machine learning, and may serve as a point of intersection for these three communities.

Learning to rank is a supervised learning problem where the output space is the space of rankings but the supervision space is the space of relevance scores. We make theoretical contributions to the learning to rank problem both in the online and batch settings. First, we propose a perceptron-like algorithm for learning a ranking function in an online setting. Our algorithm is an extension of the classic perceptron algorithm for the classification problem. Second, in the setting of batch learning, we introduce a sufficient condition for convex ranking surrogates to ensure a generalization bound that is independent of number of objects per query. Our bound holds when linear ranking functions are used: a common practice in many learning to rank algorithms. En route to developing the online algorithm and generalization bound, we propose a novel family of listwise large margin ranking surrogates. Our novel surrogate family is obtained by modifying a well-known pairwise large margin ranking surrogate and is distinct from the listwise large margin surrogates developed using the structured prediction framework. Using the proposed family, we provide a guaranteed upper bound on the cumulative NDCG (or MAP) induced loss under the perceptron-like algorithm. We also show that the novel surrogates satisfy the generalization bound condition.

Contrastive divergence (CD) is a promising method of inference in high dimensional distributions with intractable normalizing constants, however, the theoretical foundations justifying its use are somewhat shaky. This document proposes a framework for understanding CD inference, how/when it works, and provides multiple justifications for the CD moment conditions, including framing them as a variational approximation. Algorithms for performing inference are discussed and are applied to social network data using an exponential-family random graph models (ERGM). The framework also provides guidance about how to construct MCMC kernels providing good CD inference, which turn out to be quite different from those used typically to provide fast global mixing.

We propose a novel non-parametric adaptive anomaly detection algorithm for high dimensional data based on rank-SVM. Data points are first ranked based on scores derived from nearest neighbor graphs on n-point nominal data. We then train a rank-SVM using this ranked data. A test-point is declared as an anomaly at alpha-false alarm level if the predicted score is in the alpha-percentile. The resulting anomaly detector is shown to be asymptotically optimal and adaptive in that for any false alarm rate alpha, its decision region converges to the alpha-percentile level set of the unknown underlying density. In addition we illustrate through a number of synthetic and real-data experiments both the statistical performance and computational efficiency of our anomaly detector.

Developing feature selection algorithms that move beyond a pure correlational to a more causal analysis of observational data is an important problem in the sciences. Several algorithms attempt to do so by discovering the Markov blanket of a target, but they all contain a forward selection step which variables must pass in order to be included in the conditioning set. As a result, these algorithms may not consider all possible conditional multivariate combinations. We improve on this limitation by proposing a backward elimination method that uses a kernel-based conditional dependence measure to identify the Markov blanket in a fully multivariate fashion. The algorithm is easy to implement and compares favorably to other methods on synthetic and real datasets.

This paper proposes an online tree-based Bayesian approach for reinforcement learning. For inference, we employ a generalised context tree model. This defines a distribution on multivariate Gaussian piecewise-linear models, which can be updated in closed form. The tree structure itself is constructed using the cover tree method, which remains efficient in high dimensional spaces. We combine the model with Thompson sampling and approximate dynamic programming to obtain effective exploration policies in unknown environments. The flexibility and computational simplicity of the model render it suitable for many reinforcement learning problems in continuous state spaces. We demonstrate this in an experimental comparison with a Gaussian process model, a linear model and simple least squares policy iteration.

We develop a nested hierarchical Dirichlet process (nHDP) for hierarchical topic modeling. The nHDP is a generalization of the nested Chinese restaurant process (nCRP) that allows each word to follow its own path to a topic node according to a document-specific distribution on a shared tree. This alleviates the rigid, single-path formulation of the nCRP, allowing a document to more easily express thematic borrowings as a random effect. We derive a stochastic variational inference algorithm for the model, in addition to a greedy subtree selection method for each document, which allows for efficient inference using massive collections of text documents. We demonstrate our algorithm on 1.8 million documents from The New York Times and 3.3 million documents from Wikipedia.