Autoencoders have demonstrated remarkable success in learning low-dimensional latent features of high-dimensional data across various applications. Assuming that data are sampled near a low-dimensional manifold, we employ chart autoencoders, which encode data into low-dimensional latent features on a collection of charts, preserving the topology and geometry of the data manifold. Our paper establishes statistical guarantees on the generalization error of chart autoencoders, and we demonstrate their denoising capabilities by considering $n$ noisy training samples, along with their noise-free counterparts, on a $d$-dimensional manifold. By training autoencoders, we show that chart autoencoders can effectively denoise the input data with normal noise. We prove that, under proper network architectures, chart autoencoders achieve a squared generalization error in the order of $\displaystyle n^{-\frac{2}{d+2}}\log^4 n$, which depends on the intrinsic dimension of the manifold and only weakly depends on the ambient dimension and noise level. We further extend our theory on data with noise containing both normal and tangential components, where chart autoencoders still exhibit a denoising effect for the normal component. As a special case, our theory also applies to classical autoencoders, as long as the data manifold has a global parametrization. Our results provide a solid theoretical foundation for the effectiveness of autoencoders, which is further validated through several numerical experiments.
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Stability is an important characteristic of network models that has implications for other desirable aspects such as controllability. The stability of a Boolean network depends on various factors, such as the topology of its wiring diagram and the type of the functions describing its dynamics. In this paper, we study the stability of linear Boolean networks by computing Derrida curves and quantifying the number of attractors and cycle lengths imposed by their network topologies. Derrida curves are commonly used to measure the stability of Boolean networks and several parameters such as the average in-degree K and the output bias p can indicate if a network is stable, critical, or unstable. For random unbiased Boolean networks there is a critical connectivity value Kc=2 such that if K<Kc networks operate in the ordered regime, and if K>Kc networks operate in the chaotic regime. Here, we show that for linear networks, which are the least canalizing and most unstable, the phase transition from order to chaos already happens at an average in-degree of Kc=1. Consistently, we also show that unstable networks exhibit a large number of attractors with very long limit cycles while stable and critical networks exhibit fewer attractors with shorter limit cycles. Additionally, we present theoretical results to quantify important dynamical properties of linear networks. First, we present a formula for the proportion of attractor states in linear systems. Second, we show that the expected number of fixed points in linear systems is 2, while general Boolean networks possess on average one fixed point. Third, we present a formula to quantify the number of bijective linear Boolean networks and provide a lower bound for the percentage of this type of network.
We introduce a priori Sobolev-space error estimates for the solution of nonlinear, and possibly parametric, PDEs using Gaussian process and kernel based methods. The primary assumptions are: (1) a continuous embedding of the reproducing kernel Hilbert space of the kernel into a Sobolev space of sufficient regularity; and (2) the stability of the differential operator and the solution map of the PDE between corresponding Sobolev spaces. The proof is articulated around Sobolev norm error estimates for kernel interpolants and relies on the minimizing norm property of the solution. The error estimates demonstrate dimension-benign convergence rates if the solution space of the PDE is smooth enough. We illustrate these points with applications to high-dimensional nonlinear elliptic PDEs and parametric PDEs. Although some recent machine learning methods have been presented as breaking the curse of dimensionality in solving high-dimensional PDEs, our analysis suggests a more nuanced picture: there is a trade-off between the regularity of the solution and the presence of the curse of dimensionality. Therefore, our results are in line with the understanding that the curse is absent when the solution is regular enough.
Accurate time series forecasting is a fundamental challenge in data science. It is often affected by external covariates such as weather or human intervention, which in many applications, may be predicted with reasonable accuracy. We refer to them as predicted future covariates. However, existing methods that attempt to predict time series in an iterative manner with autoregressive models end up with exponential error accumulations. Other strategies hat consider the past and future in the encoder and decoder respectively limit themselves by dealing with the historical and future data separately. To address these limitations, a novel feature representation strategy -- shifting -- is proposed to fuse the past data and future covariates such that their interactions can be considered. To extract complex dynamics in time series, we develop a parallel deep learning framework composed of RNN and CNN, both of which are used hierarchically. We also utilize the skip connection technique to improve the model's performance. Extensive experiments on three datasets reveal the effectiveness of our method. Finally, we demonstrate the model interpretability using the Grad-CAM algorithm.
Estimating signals underlying noisy data is a significant problem in statistics and engineering. Numerous estimators are available in the literature, depending on the observation model and estimation criterion. This paper introduces a framework that estimates the shape of the unknown signal and the signal itself. The approach utilizes a peak-persistence diagram (PPD), a novel tool that explores the dominant peaks in the potential solutions and estimates the function's shape, which includes the number of internal peaks and valleys. It then imposes this shape constraint on the search space and estimates the signal from partially-aligned data. This approach balances two previous solutions: averaging without alignment and averaging with complete elastic alignment. From a statistical viewpoint, it achieves an optimal estimator under a model with both additive noise and phase or warping noise. We also present a computationally-efficient procedure for implementing this solution and demonstrate its effectiveness on several simulated and real examples. Notably, this geometric approach outperforms the current state-of-the-art in the field.
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.
In contrast to batch learning where all training data is available at once, continual learning represents a family of methods that accumulate knowledge and learn continuously with data available in sequential order. Similar to the human learning process with the ability of learning, fusing, and accumulating new knowledge coming at different time steps, continual learning is considered to have high practical significance. Hence, continual learning has been studied in various artificial intelligence tasks. In this paper, we present a comprehensive review of the recent progress of continual learning in computer vision. In particular, the works are grouped by their representative techniques, including regularization, knowledge distillation, memory, generative replay, parameter isolation, and a combination of the above techniques. For each category of these techniques, both its characteristics and applications in computer vision are presented. At the end of this overview, several subareas, where continuous knowledge accumulation is potentially helpful while continual learning has not been well studied, are discussed.
Classic machine learning methods are built on the $i.i.d.$ assumption that training and testing data are independent and identically distributed. However, in real scenarios, the $i.i.d.$ assumption can hardly be satisfied, rendering the sharp drop of classic machine learning algorithms' performances under distributional shifts, which indicates the significance of investigating the Out-of-Distribution generalization problem. Out-of-Distribution (OOD) generalization problem addresses the challenging setting where the testing distribution is unknown and different from the training. This paper serves as the first effort to systematically and comprehensively discuss the OOD generalization problem, from the definition, methodology, evaluation to the implications and future directions. Firstly, we provide the formal definition of the OOD generalization problem. Secondly, existing methods are categorized into three parts based on their positions in the whole learning pipeline, namely unsupervised representation learning, supervised model learning and optimization, and typical methods for each category are discussed in detail. We then demonstrate the theoretical connections of different categories, and introduce the commonly used datasets and evaluation metrics. Finally, we summarize the whole literature and raise some future directions for OOD generalization problem. The summary of OOD generalization methods reviewed in this survey can be found at //out-of-distribution-generalization.com.
Modern neural network training relies heavily on data augmentation for improved generalization. After the initial success of label-preserving augmentations, there has been a recent surge of interest in label-perturbing approaches, which combine features and labels across training samples to smooth the learned decision surface. In this paper, we propose a new augmentation method that leverages the first and second moments extracted and re-injected by feature normalization. We replace the moments of the learned features of one training image by those of another, and also interpolate the target labels. As our approach is fast, operates entirely in feature space, and mixes different signals than prior methods, one can effectively combine it with existing augmentation methods. We demonstrate its efficacy across benchmark data sets in computer vision, speech, and natural language processing, where it consistently improves the generalization performance of highly competitive baseline networks.
Label Propagation (LPA) and Graph Convolutional Neural Networks (GCN) are both message passing algorithms on graphs. Both solve the task of node classification but LPA propagates node label information across the edges of the graph, while GCN propagates and transforms node feature information. However, while conceptually similar, theoretical relation between LPA and GCN has not yet been investigated. Here we study the relationship between LPA and GCN in terms of two aspects: (1) feature/label smoothing where we analyze how the feature/label of one node is spread over its neighbors; And, (2) feature/label influence of how much the initial feature/label of one node influences the final feature/label of another node. Based on our theoretical analysis, we propose an end-to-end model that unifies GCN and LPA for node classification. In our unified model, edge weights are learnable, and the LPA serves as regularization to assist the GCN in learning proper edge weights that lead to improved classification performance. Our model can also be seen as learning attention weights based on node labels, which is more task-oriented than existing feature-based attention models. In a number of experiments on real-world graphs, our model shows superiority over state-of-the-art GCN-based methods in terms of node classification accuracy.
Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.
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