A likelihood approach to nonparametric estimation of a singular distribution using deep generative models

We investigate statistical properties of a likelihood approach to nonparametric estimation of a singular distribution using deep generative models. More specifically, a deep generative model is used to model high-dimensional data that are assumed to concentrate around some low-dimensional structure. Estimating the distribution supported on this low-dimensional structure such as a low-dimensional manifold is challenging due to its singularity with respect to the Lebesgue measure in the ambient space. In the considered model, a usual likelihood approach can fail to estimate the target distribution consistently due to the singularity. We prove that a novel and effective solution exists by perturbing the data with an instance noise which leads to consistent estimation of the underlying distribution with desirable convergence rates. We also characterize the class of distributions that can be efficiently estimated via deep generative models. This class is sufficiently general to contain various structured distributions such as product distributions, classically smooth distributions and distributions supported on a low-dimensional manifold. Our analysis provides some insights on how deep generative models can avoid the curse of dimensionality for nonparametric distribution estimation. We conduct thorough simulation study and real data analysis to empirically demonstrate that the proposed data perturbation technique improves the estimation performance significantly.

Accelerated Algorithms for Convex and Non-Convex Optimization on Manifolds

We propose a general scheme for solving convex and non-convex optimization problems on manifolds. The central idea is that, by adding a multiple of the squared retraction distance to the objective function in question, we "convexify" the objective function and solve a series of convex sub-problems in the optimization procedure. One of the key challenges for optimization on manifolds is the difficulty of verifying the complexity of the objective function, e.g., whether the objective function is convex or non-convex, and the degree of non-convexity. Our proposed algorithm adapts to the level of complexity in the objective function. We show that when the objective function is convex, the algorithm provably converges to the optimum and leads to accelerated convergence. When the objective function is non-convex, the algorithm will converge to a stationary point. Our proposed method unifies insights from Nesterov's original idea for accelerating gradient descent algorithms with recent developments in optimization algorithms in Euclidean space. We demonstrate the utility of our algorithms on several manifold optimization tasks such as estimating intrinsic and extrinsic Fr\'echet means on spheres and low-rank matrix factorization with Grassmann manifolds applied to the Netflix rating data set.

Community detection, pattern recognition, and hypergraph-based learning: approaches using metric geometry and persistent homology

Hypergraph data appear and are hidden in many places in the modern age. They are data structure that can be used to model many real data examples since their structures contain information about higher order relations among data points. One of the main contributions of our paper is to introduce a new topological structure to hypergraph data which bears a resemblance to a usual metric space structure. Using this new topological space structure of hypergraph data, we propose several approaches to study community detection problem, detecting persistent features arising from homological structure of hypergraph data. Also based on the topological space structure of hypergraph data introduced in our paper, we introduce a modified nearest neighbors methods which is a generalization of the classical nearest neighbors methods from machine learning. Our modified nearest neighbors methods have an advantage of being very flexible and applicable even for discrete structures as in hypergraphs. We then apply our modified nearest neighbors methods to study sign prediction problem in hypegraph data constructed using our method.

Weight Prediction for Variants of Weighted Directed Networks

A weighted directed network (WDN) is a directed graph in which each edge is associated to a unique value called weight. These networks are very suitable for modeling real-world social networks in which there is an assessment of one vertex toward other vertices. One of the main problems studied in this paper is prediction of edge weights in such networks. We introduce, for the first time, a metric geometry approach to studying edge weight prediction in WDNs. We modify a usual notion of WDNs, and introduce a new type of WDNs which we coin the term \textit{almost-weighted directed networks} (AWDNs). AWDNs can capture the weight information of a network from a given training set. We then construct a class of metrics (or distances) for AWDNs which equips such networks with a metric space structure. Using the metric geometry structure of AWDNs, we propose modified $k$ nearest neighbors (kNN) methods and modified support-vector machine (SVM) methods which will then be used to predict edge weights in AWDNs. In many real-world datasets, in addition to edge weights, one can also associate weights to vertices which capture information of vertices; association of weights to vertices especially plays an important role in graph embedding problems. Adopting a similar approach, we introduce two new types of directed networks in which weights are associated to either a subset of origin vertices or a subset of terminal vertices . We, for the first time, construct novel classes of metrics on such networks, and based on these new metrics propose modified $k$NN and SVM methods for predicting weights of origins and terminals in these networks. We provide experimental results on several real-world datasets, using our geometric methodologies.

Neural Time-Dependent Partial Differential Equation

Partial differential equations (PDEs) play a crucial role in studying a vast number of problems in science and engineering. Numerically solving nonlinear and/or high-dimensional PDEs is often a challenging task. Inspired by the traditional finite difference and finite elements methods and emerging advancements in machine learning, we propose a sequence deep learning framework called Neural-PDE, which allows to automatically learn governing rules of any time-dependent PDE system from existing data by using a bidirectional LSTM encoder, and predict the next n time steps data. One critical feature of our proposed framework is that the Neural-PDE is able to simultaneously learn and simulate the multiscale variables.We test the Neural-PDE by a range of examples from one-dimensional PDEs to a high-dimensional and nonlinear complex fluids model. The results show that the Neural-PDE is capable of learning the initial conditions, boundary conditions and differential operators without the knowledge of the specific form of a PDE system.In our experiments the Neural-PDE can efficiently extract the dynamics within 20 epochs training, and produces accurate predictions. Furthermore, unlike the traditional machine learning approaches in learning PDE such as CNN and MLP which require vast parameters for model precision, Neural-PDE shares parameters across all time steps, thus considerably reduces the computational complexity and leads to a fast learning algorithm.

Optimization of Graph Neural Networks with Natural Gradient Descent

In this work, we propose to employ information-geometric tools to optimize a graph neural network architecture such as the graph convolutional networks. More specifically, we develop optimization algorithms for the graph-based semi-supervised learning by employing the natural gradient information in the optimization process. This allows us to efficiently exploit the geometry of the underlying statistical model or parameter space for optimization and inference. To the best of our knowledge, this is the first work that has utilized the natural gradient for the optimization of graph neural networks that can be extended to other semi-supervised problems. Efficient computations algorithms are developed and extensive numerical studies are conducted to demonstrate the superior performance of our algorithms over existing algorithms such as ADAM and SGD.

Hierarchical Stochastic Block Model for Community Detection in Multiplex Networks

Multiplex networks have become increasingly more prevalent in many fields, and have emerged as a powerful tool for modeling the complexity of real networks. There is a critical need for developing inference models for multiplex networks that can take into account potential dependencies across different layers, particularly when the aim is community detection. We add to a limited literature by proposing a novel and efficient Bayesian model for community detection in multiplex networks. A key feature of our approach is the ability to model varying communities at different network layers. In contrast, many existing models assume the same communities for all layers. Moreover, our model automatically picks up the necessary number of communities at each layer (as validated by real data examples). This is appealing, since deciding the number of communities is a challenging aspect of community detection, and especially so in the multiplex setting, if one allows the communities to change across layers. Borrowing ideas from hierarchical Bayesian modeling, we use a hierarchical Dirichlet prior to model community labels across layers, allowing dependency in their structure. Given the community labels, a stochastic block model (SBM) is assumed for each layer. We develop an efficient slice sampler for sampling the posterior distribution of the community labels as well as the link probabilities between communities. In doing so, we address some unique challenges posed by coupling the complex likelihood of SBM with the hierarchical nature of the prior on the labels. An extensive empirical validation is performed on simulated and real data, demonstrating the superior performance of the model over single-layer alternatives, as well as the ability to uncover interesting structures in real networks.

Exact slice sampler for Hierarchical Dirichlet Processes

We propose an exact slice sampler for Hierarchical Dirichlet process (HDP) and its associated mixture models (Teh et al., 2006). Although there are existing MCMC algorithms for sampling from the HDP, a slice sampler has been missing from the literature. Slice sampling is well-known for its desirable properties including its fast mixing and its natural potential for parallelization. On the other hand, the hierarchical nature of HDPs poses challenges to adopting a full-fledged slice sampler that automatically truncates all the infinite measures involved without ad-hoc modifications. In this work, we adopt the powerful idea of Bayesian variable augmentation to address this challenge. By introducing new latent variables, we obtain a full factorization of the joint distribution that is suitable for slice sampling. Our algorithm has several appealing features such as (1) fast mixing; (2) remaining exact while allowing natural truncation of the underlying infinite-dimensional measures, as in (Kalli et al., 2011), resulting in updates of only a finite number of necessary atoms and weights in each iteration; and (3) being naturally suited to parallel implementations. The underlying principle for joint factorization of the full likelihood is simple and can be applied to many other settings, such as designing sampling algorithms for general dependent Dirichlet process (DDP) models.

Communication Efficient Parallel Algorithms for Optimization on Manifolds

The last decade has witnessed an explosion in the development of models, theory and computational algorithms for "big data" analysis. In particular, distributed computing has served as a natural and dominating paradigm for statistical inference. However, the existing literature on parallel inference almost exclusively focuses on Euclidean data and parameters. While this assumption is valid for many applications, it is increasingly more common to encounter problems where the data or the parameters lie on a non-Euclidean space, like a manifold for example. Our work aims to fill a critical gap in the literature by generalizing parallel inference algorithms to optimization on manifolds. We show that our proposed algorithm is both communication efficient and carries theoretical convergence guarantees. In addition, we demonstrate the performance of our algorithm to the estimation of Fr\'echet means on simulated spherical data and the low-rank matrix completion problem over Grassmann manifolds applied to the Netflix prize data set.

Robust and Parallel Bayesian Model Selection

Effective and accurate model selection is an important problem in modern data analysis. One of the major challenges is the computational burden required to handle large data sets that cannot be stored or processed on one machine. Another challenge one may encounter is the presence of outliers and contaminations that damage the inference quality. The parallel "divide and conquer" model selection strategy divides the observations of the full data set into roughly equal subsets and perform inference and model selection independently on each subset. After local subset inference, this method aggregates the posterior model probabilities or other model/variable selection criteria to obtain a final model by using the notion of geometric median. This approach leads to improved concentration in finding the "correct" model and model parameters and also is provably robust to outliers and data contamination.