Clustering is an important unsupervised learning problem in machine learning and statistics. Among many existing algorithms, kernel k-means has drawn much research attention due to its ability to find nonlinear cluster boundaries and its inherent simplicity. There are two main approaches for kernel k-means: SVD of the kernel matrix and convex relaxations. Despite the attention kernel clustering hasreceived both from theoretical and applied quarters, not much is known about robustness of the methods. In this paper we first introduce a semidefinite programming relaxation for the kernel clustering problem, then prove that under a suitable model specification, both K-SVD and SDP approaches are consistent in the limit, albeit SDP is strongly consistent, i.e. achieves exact recovery, whereas K-SVD is weakly consistent, i.e. the fraction of misclassified nodes vanish. Also the error bounds suggest that SDP is more resilient towards outliers, which we also demonstrate with experiments.

Asynchronous parallel optimization received substantial successes and extensive attention recently. One of core theoretical questions is how much speedup (or benefit) the asynchronous parallelization can bring to us. This paper provides a comprehensive and generic analysis to study the speedup property for a broad range of asynchronous parallel stochastic algorithms from the zeroth order to the first order methods. Our result recovers or improves existing analysis on special cases, provides more insights for understanding the asynchronous parallel behaviors, and suggests a novel asynchronous parallel zeroth order method for the first time. Our experiments provide novel applications of the proposed asynchronous parallel zeroth order method on hyper parameter tuning and model blending problems.

We propose two stochastic gradient MCMC methods for sampling from Bayesian posterior distributions defined on Riemann manifolds with a known geodesic flow, e.g. hyperspheres. Our methods are the first scalable sampling methods on these manifolds, with the aid of stochastic gradients. Novel dynamics are conceived and 2nd-order integrators are developed. By adopting embedding techniques and the geodesic integrator, the methods do not require a global coordinate system of the manifold and do not involve inner iterations. Synthetic experiments show the validity of the method, and its application to the challenging inference for spherical topic models indicate practical usability and efficiency.

Many real world graphs, such as the graphs of molecules, exhibit structure at multiple different scales, but most existing kernels between graphs are either purely local or purely global in character. In contrast, by building a hierarchy of nested subgraphs, the Multiscale Laplacian Graph kernels (MLG kernels) that we define in this paper can account for structure at a range of different scales. At the heart of the MLG construction is another new graph kernel, called the Feature Space Laplacian Graph kernel (FLG kernel), which has the property that it can lift a base kernel defined on the vertices of two graphs to a kernel between the graphs. The MLG kernel applies such FLG kernels to subgraphs recursively. To make the MLG kernel computationally feasible, we also introduce a randomized projection procedure, similar to the Nystro ̈m method, but for RKHS operators.

Stochastic gradient MCMC (SG-MCMC) has played an important role in large-scale Bayesian learning, with well-developed theoretical convergence properties. In such applications of SG-MCMC, it is becoming increasingly popular to employ distributed systems, where stochastic gradients are computed based on some outdated parameters, yielding what are termed stale gradients. While stale gradients could be directly used in SG-MCMC, their impact on convergence properties has not been well studied. In this paper we develop theory to show that while the bias and MSE of an SG-MCMC algorithm depend on the staleness of stochastic gradients, its estimation variance (relative to the expected estimate, based on a prescribed number of samples) is independent of it. In a simple Bayesian distributed system with SG-MCMC, where stale gradients are computed asynchronously by a set of workers, our theory indicates a linear speedup on the decrease of estimation variance w.r.t. the number of workers. Experiments on synthetic data and deep neural networks validate our theory, demonstrating the effectiveness and scalability of SG-MCMC with stale gradients.

Maximum mean discrepancy (MMD) has been successfully applied to learn deep generative models for characterizing a joint distribution of variables via kernel mean embedding. In this paper, we present conditional generative moment-matching networks (CGMMN), which learn a conditional distribution given some input variables based on a conditional maximum mean discrepancy (CMMD) criterion. The learning is performed by stochastic gradient descent with the gradient calculated by back-propagation. We evaluate CGMMN on a wide range of tasks, including predictive modeling, contextual generation, and Bayesian dark knowledge, which distills knowledge from a Bayesian model by learning a relatively small CGMMN student network. Our results demonstrate competitive performance in all the tasks.

Despite the success of kernel-based nonparametric methods, kernel selection still requires considerable expertise, and is often described as a "black art." We present a sophisticated method for automatically searching for an appropriate kernel from an infinite space of potential choices. Previous efforts in this direction have focused on traversing a kernel grammar, only examining the data via computation of marginal likelihood. Our proposed search method is based on Bayesian optimization in model space, where we reason about model evidence as a function to be maximized. We explicitly reason about the data distribution and how it induces similarity between potential model choices in terms of the explanations they can offer for observed data. In this light, we construct a novel kernel between models to explain a given dataset. Our method is capable of finding a model that explains a given dataset well without any human assistance, often with fewer computations of model evidence than previous approaches, a claim we demonstrate empirically.

Over the last years, many variations of the quadratic k-means clustering procedure have been proposed, all aiming to robustify the performance of the algorithm in the presence of outliers. In general terms, two main approaches have been developed: one based on penalized regularization methods, and one based on trimming functions. In this work, we present a theoretical analysis of the robustness and consistency properties of a variant of the classical quadratic k-means algorithm, the robust k-means, which borrows ideas from outlier detection in regression. We show that two outliers in a dataset are enough to breakdown this clustering procedure. However, if we focus on “well-structured” datasets, then robust k-means can recover the underlying cluster structure in spite of the outliers. Finally, we show that, with slight modifications, the most general non-asymptotic results for consistency of quadratic k-means remain valid for this robust variant.

We consider the problem of recommending relevant labels (items) for a given data point (user). In particular, we are interested in the practically important setting where the evaluation is with respect to non-decomposable (over labels) performance metrics like the $F_1$ measure, \emph{and} training data has missing labels. To this end, we propose a generic framework that given a performance metric $\Psi$, can devise a regularized objective function and a threshold such that all the values in the predicted score vector above and only above the threshold are selected to be positive. We show that the regret or generalization error in the given metric $\Psi$ is bounded ultimately by estimation error of certain underlying parameters. In particular, we derive regret bounds under three popular settings: a) collaborative filtering, b) multilabel classification, and c) PU (positive-unlabeled) learning. For each of the above problems, we can obtain precise non-asymptotic regret bound which is small even when a large fraction of labels is missing. Our empirical results on synthetic and benchmark datasets demonstrate that by explicitly modeling for missing labels and optimizing the desired performance metric, our algorithm indeed achieves significantly better performance (like $F_1$ score) when compared to methods that do not model missing label information carefully.

Several works have shown that deep CNN classifiers can be easily transferred across datasets, e.g. the transfer of a CNN trained to recognize objects on ImageNET to an object detector on Pascal VOC. Less clear, however, is the ability of CNNs to transfer knowledge across tasks. A common example of such transfer is the problem of scene classification that should leverage localized object detections to recognize holistic visual concepts. While this problem is currently addressed with Fisher vector representations, these are now shown ineffective for the high-dimensional and highly non-linear features extracted by modern CNNs. It is argued that this is mostly due to the reliance on a model, the Gaussian mixture of diagonal covariances, which has a very limited ability to capture the second order statistics of CNN features. This problem is addressed by the adoption of a better model, the mixture of factor analyzers (MFA), which approximates the non-linear data manifold by a collection of local subspaces. The Fisher score with respect to the MFA (MFA-FS) is derived and proposed as an image representation for holistic image classifiers. Extensive experiments show that the MFA-FS has state of the art performance for object-to-scene transfer and this transfer actually outperforms the training of a scene CNN from a large scene dataset. The two representations are also shown to be complementary, in the sense that their combination outperforms each of the representations by itself. When combined, they produce a state of the art scene classifier.