We investigate the geometrical structure of probabilistic generative dimensionality reduction models using the tools of Riemannian geometry. We explicitly define a distribution over the natural metric given by the models. We provide the necessary algorithms to compute expected metric tensors where the distribution over mappings is given by a Gaussian process. We treat the corresponding latent variable model as a Riemannian manifold and we use the expectation of the metric under the Gaussian process prior to define interpolating paths and measure distance between latent points. We show how distances that respect the expected metric lead to more appropriate generation of new data.

Identifying important components or factors in large amounts of noisy data is a key problem in machine learning and data mining. Motivated by a pattern decomposition problem in materials discovery, aimed at discovering new materials for renewable energy, e.g. for fuel and solar cells, we introduce CombiFD, a framework for factor based pattern decomposition that allows the incorporation of a-priori knowledge as constraints, including complex combinatorial constraints. In addition, we propose a new pattern decomposition algorithm, called AMIQO, based on solving a sequence of (mixed-integer) quadratic programs. Our approach considerably outperforms the state of the art on the materials discovery problem, scaling to larger datasets and recovering more precise and physically meaningful decompositions. We also show the effectiveness of our approach for enforcing background knowledge on other application domains.

We show two novel concentration inequalities for suprema of empirical processes when sampling without replacement, which both take the variance of the functions into account. While these inequalities may potentially have broad applications in learning theory in general, we exemplify their significance by studying the transductive setting of learning theory. For which we provide the first excess risk bounds based on the localized complexity of the hypothesis class, which can yield fast rates of convergence also in the transductive learning setting. We give a preliminary analysis of the localized complexities for the prominent case of kernel classes.

The exact nonnegative matrix factorization (exact NMF) problem is the following: given an $m$-by-$n$ nonnegative matrix $X$ and a factorization rank $r$, find, if possible, an $m$-by-$r$ nonnegative matrix $W$ and an $r$-by-$n$ nonnegative matrix $H$ such that $X = WH$. In this paper, we propose two heuristics for exact NMF, one inspired from simulated annealing and the other from the greedy randomized adaptive search procedure. We show that these two heuristics are able to compute exact nonnegative factorizations for several classes of nonnegative matrices (namely, linear Euclidean distance matrices, slack matrices, unique-disjointness matrices, and randomly generated matrices) and as such demonstrate their superiority over standard multi-start strategies. We also consider a hybridization between these two heuristics that allows us to combine the advantages of both methods. Finally, we discuss the use of these heuristics to gain insight on the behavior of the nonnegative rank, i.e., the minimum factorization rank such that an exact NMF exists. In particular, we disprove a conjecture on the nonnegative rank of a Kronecker product, propose a new upper bound on the extension complexity of generic $n$-gons and conjecture the exact value of (i) the extension complexity of regular $n$-gons and (ii) the nonnegative rank of a submatrix of the slack matrix of the correlation polytope.

In this paper, we propose an efficient semidefinite programming (SDP) approach to worst-case linear discriminant analysis (WLDA). Compared with the traditional LDA, WLDA considers the dimensionality reduction problem from the worst-case viewpoint, which is in general more robust for classification. However, the original problem of WLDA is non-convex and difficult to optimize. In this paper, we reformulate the optimization problem of WLDA into a sequence of semidefinite feasibility problems. To efficiently solve the semidefinite feasibility problems, we design a new scalable optimization method with quasi-Newton methods and eigen-decomposition being the core components. The proposed method is orders of magnitude faster than standard interior-point based SDP solvers. Experiments on a variety of classification problems demonstrate that our approach achieves better performance than standard LDA. Our method is also much faster and more scalable than standard interior-point SDP solvers based WLDA. The computational complexity for an SDP with $m$ constraints and matrices of size $d$ by $d$ is roughly reduced from $\mathcal{O}(m^3+md^3+m^2d^2)$ to $\mathcal{O}(d^3)$ ($m>d$ in our case).

We propose a new algorithm called PLUTO for building logistic regression trees to binary response data. PLUTO can capture the nonlinear and interaction patterns in messy data by recursively partitioning the sample space. It fits a simple or a multiple linear logistic regression model in each partition. PLUTO employs the cyclical coordinate descent method for estimation of multiple linear logistic regression models with elastic net penalties, which allows it to deal with high-dimensional data efficiently. The tree structure comprises a graphical description of the data. Together with the logistic regression models, it provides an accurate classifier as well as a piecewise smooth estimate of the probability of "success". PLUTO controls selection bias by: (1) separating split variable selection from split point selection; (2) applying an adjusted chi-squared test to find the split variable instead of exhaustive search. A bootstrap calibration technique is employed to further correct selection bias. Comparison on real datasets shows that on average, the multiple linear PLUTO models predict more accurately than other algorithms.

We propose the product-of-filters (PoF) model, a generative model that decomposes audio spectra as sparse linear combinations of "filters" in the log-spectral domain. PoF makes similar assumptions to those used in the classic homomorphic filtering approach to signal processing, but replaces hand-designed decompositions built of basic signal processing operations with a learned decomposition based on statistical inference. This paper formulates the PoF model and derives a mean-field method for posterior inference and a variational EM algorithm to estimate the model's free parameters. We demonstrate PoF's potential for audio processing on a bandwidth expansion task, and show that PoF can serve as an effective unsupervised feature extractor for a speaker identification task.

We consider the problem of learning a set from random samples. We show how relevant geometric and topological properties of a set can be studied analytically using concepts from the theory of reproducing kernel Hilbert spaces. A new kind of reproducing kernel, that we call separating kernel, plays a crucial role in our study and is analyzed in detail. We prove a new analytic characterization of the support of a distribution, that naturally leads to a family of provably consistent regularized learning algorithms and we discuss the stability of these methods with respect to random sampling. Numerical experiments show that the approach is competitive, and often better, than other state of the art techniques.

We explore the idea that authoring a piece of text is an act of maximizing one's expected utility. To make this idea concrete, we consider the societally important decisions of the Supreme Court of the United States. Extensive past work in quantitative political science provides a framework for empirically modeling the decisions of justices and how they relate to text. We incorporate into such a model texts authored by amici curiae ("friends of the court" separate from the litigants) who seek to weigh in on the decision, then explicitly model their goals in a random utility model. We demonstrate the benefits of this approach in improved vote prediction and the ability to perform counterfactual analysis.

This paper establishes the consistency of a family of graph-cut-based algorithms for clustering of data clouds. We consider point clouds obtained as samples of a ground-truth measure. We investigate approaches to clustering based on minimizing objective functionals defined on proximity graphs of the given sample. Our focus is on functionals based on graph cuts like the Cheeger and ratio cuts. We show that minimizers of the these cuts converge as the sample size increases to a minimizer of a corresponding continuum cut (which partitions the ground truth measure). Moreover, we obtain sharp conditions on how the connectivity radius can be scaled with respect to the number of sample points for the consistency to hold. We provide results for two-way and for multiway cuts. Furthermore we provide numerical experiments that illustrate the results and explore the optimality of scaling in dimension two.