Graphs arising in statistical problems, signal processing, large networks, combinatorial optimization, and data analysis are often dense, which causes both computational and storage bottlenecks. One way of \textit{sparsifying} a \textit{weighted} graph, while sharing the same vertices as the original graph but reducing the number of edges, is through \textit{spectral sparsification}. We study this problem through the perspective of RandNLA. Specifically, we utilize randomized matrix multiplication to give a clean and simple analysis of how sampling according to edge weights gives a spectral approximation to graph Laplacians. Through the $CR$-MM algorithm, we attain a simple and computationally efficient sparsifier whose resulting Laplacian estimate is unbiased and of minimum variance. Furthermore, we define a new notion of \textit{additive spectral sparsifiers}, which has not been considered in the literature.
Shape restriction, like monotonicity or convexity, imposed on a function of interest, such as a regression or density function, allows for its estimation without smoothness assumptions. The concept of $k$-monotonicity encompasses a family of shape restrictions, including decreasing and convex decreasing as special cases corresponding to $k=1$ and $k=2$. We consider Bayesian approaches to estimate a $k$-monotone density. By utilizing a kernel mixture representation and putting a Dirichlet process or a finite mixture prior on the mixing distribution, we show that the posterior contraction rate in the Hellinger distance is $(n/\log n)^{- k/(2k + 1)}$ for a $k$-monotone density, which is minimax optimal up to a polylogarithmic factor. When the true $k$-monotone density is a finite $J_0$-component mixture of the kernel, the contraction rate improves to the nearly parametric rate $\sqrt{(J_0 \log n)/n}$. Moreover, by putting a prior on $k$, we show that the same rates hold even when the best value of $k$ is unknown. A specific application in modeling the density of $p$-values in a large-scale multiple testing problem is considered. Simulation studies are conducted to evaluate the performance of the proposed method.
Matrix-variate time series data are largely available in applications. However, no attempt has been made to study their conditional heteroskedasticity that is often observed in economic and financial data. To address this gap, we propose a novel matrix generalized autoregressive conditional heteroskedasticity (GARCH) model to capture the dynamics of conditional row and column covariance matrices of matrix time series. The key innovation of the matrix GARCH model is the use of a univariate GARCH specification for the trace of conditional row or column covariance matrix, which allows for the identification of conditional row and column covariance matrices. Moreover, we introduce a quasi maximum likelihood estimator (QMLE) for model estimation and develop a portmanteau test for model diagnostic checking. Simulation studies are conducted to assess the finite-sample performance of the QMLE and portmanteau test. To handle large dimensional matrix time series, we also propose a matrix factor GARCH model. Finally, we demonstrate the superiority of the matrix GARCH and matrix factor GARCH models over existing multivariate GARCH-type models in volatility forecasting and portfolio allocations using three applications on credit default swap prices, global stock sector indices, and future prices.
Whole slide image (WSI) refers to a type of high-resolution scanned tissue image, which is extensively employed in computer-assisted diagnosis (CAD). The extremely high resolution and limited availability of region-level annotations make it challenging to employ deep learning methods for WSI-based digital diagnosis. Multiple instance learning (MIL) is a powerful tool to address the weak annotation problem, while Transformer has shown great success in the field of visual tasks. The combination of both should provide new insights for deep learning based image diagnosis. However, due to the limitations of single-level MIL and the attention mechanism's constraints on sequence length, directly applying Transformer to WSI-based MIL tasks is not practical. To tackle this issue, we propose a Multi-level MIL with Transformer (MMIL-Transformer) approach. By introducing a hierarchical structure to MIL, this approach enables efficient handling of MIL tasks that involve a large number of instances. To validate its effectiveness, we conducted a set of experiments on WSIs classification task, where MMIL-Transformer demonstrate superior performance compared to existing state-of-the-art methods. Our proposed approach achieves test AUC 94.74% and test accuracy 93.41% on CAMELYON16 dataset, test AUC 99.04% and test accuracy 94.37% on TCGA-NSCLC dataset, respectively. All code and pre-trained models are available at: //github.com/hustvl/MMIL-Transformer
Estimation of signal-to-noise ratios and residual variances in high-dimensional linear models has various important applications including, e.g. heritability estimation in bioinformatics. One commonly used estimator, usually referred to as REML, is based on the likelihood of the random effects model, in which both the regression coefficients and the noise variables are respectively assumed to be i.i.d Gaussian random variables. In this paper, we aim to establish the consistency and asymptotic distribution of the REML estimator for the SNR, when the actual coefficient vector is fixed, and the actual noise is heteroscedastic and correlated, at the cost of assuming the entries of the design matrix are independent and skew-free. The asymptotic variance can be also consistently estimated when the noise is heteroscedastic but uncorrelated. Extensive numerical simulations illustrate our theoretical findings and also suggest some assumptions imposed in our theoretical results are likely relaxable.
We consider a statistical model for matrix factorization in a regime where the rank of the two hidden matrix factors grows linearly with their dimension and their product is corrupted by additive noise. Despite various approaches, statistical and algorithmic limits of such problems have remained elusive. We study a Bayesian setting with the assumptions that (a) one of the matrix factors is symmetric, (b) both factors as well as the additive noise have rotational invariant priors, (c) the priors are known to the statistician. We derive analytical formulas for Rotation Invariant Estimators to reconstruct the two matrix factors, and conjecture that these are optimal in the large-dimension limit, in the sense that they minimize the average mean-square-error. We provide numerical checks which confirm the optimality conjecture when confronted to Oracle Estimators which are optimal by definition, but involve the ground-truth. Our derivation relies on a combination of tools, namely random matrix theory transforms, spherical integral formulas, and the replica method from statistical mechanics.
General Matrix Multiplication (GEMM) is a fundamental operation widely used in scientific computations. Its performance and accuracy significantly impact the performance and accuracy of applications that depend on it. One such application is semidefinite programming (SDP), and it often requires binary128 or higher precision arithmetic to solve problems involving SDP stably. However, only some processors support binary128 arithmetic, which makes SDP solvers generally slow. In this study, we focused on accelerating GEMM with binary128 arithmetic on field-programmable gate arrays (FPGAs) to enable the flexible design of accelerators for the desired computations. Our binary128 GEMM designs on a recent high-performance FPGA achieved approximately 90GFlops, 147x faster than the computation executed on a recent CPU with 20 threads for large matrices. Using our binary128 GEMM design on the FPGA, we successfully accelerated two numerical applications: LU decomposition and SDP problems, for the first time.
The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.
Graph Neural Networks (GNNs) have recently become increasingly popular due to their ability to learn complex systems of relations or interactions arising in a broad spectrum of problems ranging from biology and particle physics to social networks and recommendation systems. Despite the plethora of different models for deep learning on graphs, few approaches have been proposed thus far for dealing with graphs that present some sort of dynamic nature (e.g. evolving features or connectivity over time). In this paper, we present Temporal Graph Networks (TGNs), a generic, efficient framework for deep learning on dynamic graphs represented as sequences of timed events. Thanks to a novel combination of memory modules and graph-based operators, TGNs are able to significantly outperform previous approaches being at the same time more computationally efficient. We furthermore show that several previous models for learning on dynamic graphs can be cast as specific instances of our framework. We perform a detailed ablation study of different components of our framework and devise the best configuration that achieves state-of-the-art performance on several transductive and inductive prediction tasks for dynamic graphs.
The focus of Part I of this monograph has been on both the fundamental properties, graph topologies, and spectral representations of graphs. Part II embarks on these concepts to address the algorithmic and practical issues centered round data/signal processing on graphs, that is, the focus is on the analysis and estimation of both deterministic and random data on graphs. The fundamental ideas related to graph signals are introduced through a simple and intuitive, yet illustrative and general enough case study of multisensor temperature field estimation. The concept of systems on graph is defined using graph signal shift operators, which generalize the corresponding principles from traditional learning systems. At the core of the spectral domain representation of graph signals and systems is the Graph Discrete Fourier Transform (GDFT). The spectral domain representations are then used as the basis to introduce graph signal filtering concepts and address their design, including Chebyshev polynomial approximation series. Ideas related to the sampling of graph signals are presented and further linked with compressive sensing. Localized graph signal analysis in the joint vertex-spectral domain is referred to as the vertex-frequency analysis, since it can be considered as an extension of classical time-frequency analysis to the graph domain of a signal. Important topics related to the local graph Fourier transform (LGFT) are covered, together with its various forms including the graph spectral and vertex domain windows and the inversion conditions and relations. A link between the LGFT with spectral varying window and the spectral graph wavelet transform (SGWT) is also established. Realizations of the LGFT and SGWT using polynomial (Chebyshev) approximations of the spectral functions are further considered. Finally, energy versions of the vertex-frequency representations are introduced.
Meta-learning extracts the common knowledge acquired from learning different tasks and uses it for unseen tasks. It demonstrates a clear advantage on tasks that have insufficient training data, e.g., few-shot learning. In most meta-learning methods, tasks are implicitly related via the shared model or optimizer. In this paper, we show that a meta-learner that explicitly relates tasks on a graph describing the relations of their output dimensions (e.g., classes) can significantly improve the performance of few-shot learning. This type of graph is usually free or cheap to obtain but has rarely been explored in previous works. We study the prototype based few-shot classification, in which a prototype is generated for each class, such that the nearest neighbor search between the prototypes produces an accurate classification. We introduce "Gated Propagation Network (GPN)", which learns to propagate messages between prototypes of different classes on the graph, so that learning the prototype of each class benefits from the data of other related classes. In GPN, an attention mechanism is used for the aggregation of messages from neighboring classes, and a gate is deployed to choose between the aggregated messages and the message from the class itself. GPN is trained on a sequence of tasks from many-shot to few-shot generated by subgraph sampling. During training, it is able to reuse and update previously achieved prototypes from the memory in a life-long learning cycle. In experiments, we change the training-test discrepancy and test task generation settings for thorough evaluations. GPN outperforms recent meta-learning methods on two benchmark datasets in all studied cases.