Improving Neural Network Robustness through Neighborhood Preserving Layers

Robustness against adversarial attack in neural networks is an important research topic in the machine learning community. We observe one major source of vulnerability of neural nets is from overparameterized fully-connected layers. In this paper, we propose a new neighborhood preserving layer which can replace these fully connected layers to improve the network robustness. We demonstrate a novel neural network architecture which can incorporate such layers and also can be trained efficiently. We theoretically prove that our models are more robust against distortion because they effectively control the magnitude of gradients. Finally, we empirically show that our designed network architecture is more robust against state-of-art gradient descent based attacks, such as a PGD attack on the benchmark datasets MNIST and CIFAR10.

A Manifold Proximal Linear Method for Sparse Spectral Clustering with Application to Single-Cell RNA Sequencing Data Analysis

Spectral clustering is one of the fundamental unsupervised learning methods widely used in data analysis. Sparse spectral clustering (SSC) imposes sparsity to the spectral clustering and it improves the interpretability of the model. This paper considers a widely adopted model for SSC, which can be formulated as an optimization problem over the Stiefel manifold with nonsmooth and nonconvex objective. Such an optimization problem is very challenging to solve. Existing methods usually solve its convex relaxation or need to smooth its nonsmooth part using certain smoothing techniques. In this paper, we propose a manifold proximal linear method (ManPL) that solves the original SSC formulation. We also extend the algorithm to solve the multiple-kernel SSC problems, for which an alternating ManPL algorithm is proposed. Convergence and iteration complexity results of the proposed methods are established. We demonstrate the advantage of our proposed methods over existing methods via the single-cell RNA sequencing data analysis.

Fisher's combined probability test for high-dimensional covariance matrices

Testing large covariance matrices is of fundamental importance in statistical analysis with high-dimensional data. In the past decade, three types of test statistics have been studied in the literature: quadratic form statistics, maximum form statistics, and their weighted combination. It is known that quadratic form statistics would suffer from low power against sparse alternatives and maximum form statistics would suffer from low power against dense alternatives. The weighted combination methods were introduced to enhance the power of quadratic form statistics or maximum form statistics when the weights are appropriately chosen. In this paper, we provide a new perspective to exploit the full potential of quadratic form statistics and maximum form statistics for testing high-dimensional covariance matrices. We propose a scale-invariant power enhancement test based on Fisher's method to combine the p-values of quadratic form statistics and maximum form statistics. After carefully studying the asymptotic joint distribution of quadratic form statistics and maximum form statistics, we prove that the proposed combination method retains the correct asymptotic size and boosts the power against more general alternatives. Moreover, we demonstrate the finite-sample performance in simulation studies and a real application.

Riemannian Stochastic Proximal Gradient Methods for Nonsmooth Optimization over the Stiefel Manifold

Riemannian optimization has drawn a lot of attention due to its wide applications in practice. Riemannian stochastic first-order algorithms have been studied in the literature to solve large-scale machine learning problems over Riemannian manifolds. However, most of the existing Riemannian stochastic algorithms require the objective function to be differentiable, and they do not apply to the case where the objective function is nonsmooth. In this paper, we present two Riemannian stochastic proximal gradient methods for minimizing nonsmooth function over the Stiefel manifold. The two methods, named R-ProxSGD and R-ProxSPB, are generalizations of proximal SGD and proximal SpiderBoost in Euclidean setting to the Riemannian setting. Analysis on the incremental first-order oracle (IFO) complexity of the proposed algorithms is provided. Specifically, the R-ProxSPB algorithm finds an $\epsilon$-stationary point with $\mathcal{O}(\epsilon^{-3})$ IFOs in the online case, and $\mathcal{O}(n+\sqrt{n}\epsilon^{-3})$ IFOs in the finite-sum case with $n$ being the number of summands in the objective. Experimental results on online sparse PCA and robust low-rank matrix completion show that our proposed methods significantly outperform the existing methods that uses Riemannian subgradient information.

An Alternating Manifold Proximal Gradient Method for Sparse PCA and Sparse CCA

Sparse principal component analysis (PCA) and sparse canonical correlation analysis (CCA) are two essential techniques from high-dimensional statistics and machine learning for analyzing large-scale data. Both problems can be formulated as an optimization problem with nonsmooth objective and nonconvex constraints. Since non-smoothness and nonconvexity bring numerical difficulties, most algorithms suggested in the literature either solve some relaxations or are heuristic and lack convergence guarantees. In this paper, we propose a new alternating manifold proximal gradient method to solve these two high-dimensional problems and provide a unified convergence analysis. Numerical experiment results are reported to demonstrate the advantages of our algorithm.

Model-Based Clustering of Nonparametric Weighted Networks

Water pollution is a major global environmental problem, and it poses a great environmental risk to public health and biological diversity. This work is motivated by assessing the potential environmental threat of coal mining through increased sulfate concentrations in river networks, which do not belong to any simple parametric distribution. However, existing network models mainly focus on binary or discrete networks and weighted networks with known parametric weight distributions. We propose a principled nonparametric weighted network model based on exponential-family random graph models and local likelihood estimation and study its model-based clustering with application to large-scale water pollution network analysis. We do not require any parametric distribution assumption on network weights. The proposed method greatly extends the methodology and applicability of statistical network models. Furthermore, it is scalable to large and complex networks in large-scale environmental studies and geoscientific research. The power of our proposed methods is demonstrated in simulation studies.

Model-Based Clustering of Time-Evolving Networks through Temporal Exponential-Family Random Graph Models

Dynamic networks are a general language for describing time-evolving complex systems, and discrete time network models provide an emerging statistical technique for various applications. It is a fundamental research question to detect the community structure in time-evolving networks. However, due to significant computational challenges and difficulties in modeling communities of time-evolving networks, there is little progress in the current literature to effectively find communities in time-evolving networks. In this work, we propose a novel model-based clustering framework for time-evolving networks based on discrete time exponential-family random graph models. To choose the number of communities, we use conditional likelihood to construct an effective model selection criterion. Furthermore, we propose an efficient variational expectation-maximization (EM) algorithm to find approximate maximum likelihood estimates of network parameters and mixing proportions. By using variational methods and minorization-maximization (MM) techniques, our method has appealing scalability for large-scale time-evolving networks. The power of our method is demonstrated in simulation studies and empirical applications to international trade networks and the collaboration networks of a large American research university.

Inverse Moment Methods for Sufficient Forecasting using High-Dimensional Predictors

We consider forecasting a single time series using high-dimensional predictors in the presence of a possible nonlinear forecast function. The sufficient forecasting (Fan et al., 2016) used sliced inverse regression to estimate lower-dimensional sufficient indices for nonparametric forecasting using factor models. However, Fan et al. (2016) is fundamentally limited to the inverse first-moment method, by assuming the restricted fixed number of factors, linearity condition for factors, and monotone effect of factors on the response. In this work, we study the inverse second-moment method using directional regression and the inverse third-moment method to extend the methodology and applicability of the sufficient forecasting. As the number of factors diverges with the dimension of predictors, the proposed method relaxes the distributional assumption of the predictor and enhances the capability of capturing the non-monotone effect of factors on the response. We not only provide a high-dimensional analysis of inverse moment methods such as exhaustiveness and rate of convergence, but also prove their model selection consistency. The power of our proposed methods is demonstrated in both simulation studies and an empirical study of forecasting monthly macroeconomic data from Q1 1959 to Q1 2016. During our theoretical development, we prove an invariance result for inverse moment methods, which make a separate contribution to the sufficient dimension reduction.

Nonparametric mixture of Gaussian graphical models

Graphical model has been widely used to investigate the complex dependence structure of high-dimensional data, and it is common to assume that observed data follow a homogeneous graphical model. However, observations usually come from different resources and have heterogeneous hidden commonality in real-world applications. Thus, it is of great importance to estimate heterogeneous dependencies and discover subpopulation with certain commonality across the whole population. In this work, we introduce a novel regularized estimation scheme for learning nonparametric mixture of Gaussian graphical models, which extends the methodology and applicability of Gaussian graphical models and mixture models. We propose a unified penalized likelihood approach to effectively estimate nonparametric functional parameters and heterogeneous graphical parameters. We further design an efficient generalized effective EM algorithm to address three significant challenges: high-dimensionality, non-convexity, and label switching. Theoretically, we study both the algorithmic convergence of our proposed algorithm and the asymptotic properties of our proposed estimators. Numerically, we demonstrate the performance of our method in simulation studies and a real application to estimate human brain functional connectivity from ADHD imaging data, where two heterogeneous conditional dependencies are explained through profiling demographic variables and supported by existing scientific findings.

Joint limiting laws for high-dimensional independence tests

Testing independence is of significant interest in many important areas of large-scale inference. Using extreme-value form statistics to test against sparse alternatives and using quadratic form statistics to test against dense alternatives are two important testing procedures for high-dimensional independence. However, quadratic form statistics suffer from low power against sparse alternatives, and extreme-value form statistics suffer from low power against dense alternatives with small disturbances and may have size distortions due to its slow convergence. For real-world applications, it is important to derive powerful testing procedures against more general alternatives. Based on intermediate limiting distributions, we derive (model-free) joint limiting laws of extreme-value form and quadratic form statistics, and surprisingly, we prove that they are asymptotically independent. Given such asymptotic independencies, we propose (model-free) testing procedures to boost the power against general alternatives and also retain the correct asymptotic size. Under the high-dimensional setting, we derive the closed-form limiting null distributions, and obtain their explicit rates of uniform convergence. We prove their consistent statistical powers against general alternatives. We demonstrate the performance of our proposed test statistics in simulation studies. Our work provides very helpful insights to high-dimensional independence tests, and fills an important gap.