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We extend results known for the randomized Gauss-Seidel and the Gauss-Southwell methods for the case of a Hermitian and positive definite matrix to certain classes of non-Hermitian matrices. We obtain convergence results for a whole range of parameters describing the probabilities in the randomized method or the greedy choice strategy in the Gauss-Southwell-type methods. We identify those choices which make our convergence bounds best possible. Our main tool is to use weighted l1-norms to measure the residuals. A major result is that the best convergence bounds that we obtain for the expected values in the randomized algorithm are as good as the best for the deterministic, but more costly algorithms of Gauss-Southwell type. Numerical experiments illustrate the convergence of the method and the bounds obtained. Comparisons with the randomized Kaczmarz method are also presented.

Nowadays, owners and developers of deep learning models must consider stringent privacy-preservation rules of their training data, usually crowd-sourced and retaining sensitive information. The most widely adopted method to enforce privacy guarantees of a deep learning model nowadays relies on optimization techniques enforcing differential privacy. According to the literature, this approach has proven to be a successful defence against several models' privacy attacks, but its downside is a substantial degradation of the models' performance. In this work, we compare the effectiveness of the differentially-private stochastic gradient descent (DP-SGD) algorithm against standard optimization practices with regularization techniques. We analyze the resulting models' utility, training performance, and the effectiveness of membership inference and model inversion attacks against the learned models. Finally, we discuss differential privacy's flaws and limits and empirically demonstrate the often superior privacy-preserving properties of dropout and l2-regularization.

We present rectified flow, a surprisingly simple approach to learning (neural) ordinary differential equation (ODE) models to transport between two empirically observed distributions \pi_0 and \pi_1, hence providing a unified solution to generative modeling and domain transfer, among various other tasks involving distribution transport. The idea of rectified flow is to learn the ODE to follow the straight paths connecting the points drawn from \pi_0 and \pi_1 as much as possible. This is achieved by solving a straightforward nonlinear least squares optimization problem, which can be easily scaled to large models without introducing extra parameters beyond standard supervised learning. The straight paths are special and preferred because they are the shortest paths between two points, and can be simulated exactly without time discretization and hence yield computationally efficient models. We show that the procedure of learning a rectified flow from data, called rectification, turns an arbitrary coupling of \pi_0 and \pi_1 to a new deterministic coupling with provably non-increasing convex transport costs. In addition, recursively applying rectification allows us to obtain a sequence of flows with increasingly straight paths, which can be simulated accurately with coarse time discretization in the inference phase. In empirical studies, we show that rectified flow performs superbly on image generation, image-to-image translation, and domain adaptation. In particular, on image generation and translation, our method yields nearly straight flows that give high quality results even with a single Euler discretization step.

In the context of solving inverse problems for physics applications within a Bayesian framework, we present a new approach, Markov Chain Generative Adversarial Neural Networks (MCGANs), to alleviate the computational costs associated with solving the Bayesian inference problem. GANs pose a very suitable framework to aid in the solution of Bayesian inference problems, as they are designed to generate samples from complicated high-dimensional distributions. By training a GAN to sample from a low-dimensional latent space and then embedding it in a Markov Chain Monte Carlo method, we can highly efficiently sample from the posterior, by replacing both the high-dimensional prior and the expensive forward map. We prove that the proposed methodology converges to the true posterior in the Wasserstein-1 distance and that sampling from the latent space is equivalent to sampling in the high-dimensional space in a weak sense. The method is showcased on two test cases where we perform both state and parameter estimation simultaneously. The approach is shown to be up to two orders of magnitude more accurate than alternative approaches while also being up to two orders of magnitude computationally faster, in multiple test cases, including the important engineering setting of detecting leaks in pipelines.

The growing energy and performance costs of deep learning have driven the community to reduce the size of neural networks by selectively pruning components. Similarly to their biological counterparts, sparse networks generalize just as well, if not better than, the original dense networks. Sparsity can reduce the memory footprint of regular networks to fit mobile devices, as well as shorten training time for ever growing networks. In this paper, we survey prior work on sparsity in deep learning and provide an extensive tutorial of sparsification for both inference and training. We describe approaches to remove and add elements of neural networks, different training strategies to achieve model sparsity, and mechanisms to exploit sparsity in practice. Our work distills ideas from more than 300 research papers and provides guidance to practitioners who wish to utilize sparsity today, as well as to researchers whose goal is to push the frontier forward. We include the necessary background on mathematical methods in sparsification, describe phenomena such as early structure adaptation, the intricate relations between sparsity and the training process, and show techniques for achieving acceleration on real hardware. We also define a metric of pruned parameter efficiency that could serve as a baseline for comparison of different sparse networks. We close by speculating on how sparsity can improve future workloads and outline major open problems in the field.

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.

For deploying a deep learning model into production, it needs to be both accurate and compact to meet the latency and memory constraints. This usually results in a network that is deep (to ensure performance) and yet thin (to improve computational efficiency). In this paper, we propose an efficient method to train a deep thin network with a theoretic guarantee. Our method is motivated by model compression. It consists of three stages. In the first stage, we sufficiently widen the deep thin network and train it until convergence. In the second stage, we use this well-trained deep wide network to warm up (or initialize) the original deep thin network. This is achieved by letting the thin network imitate the immediate outputs of the wide network from layer to layer. In the last stage, we further fine tune this well initialized deep thin network. The theoretical guarantee is established by using mean field analysis, which shows the advantage of layerwise imitation over traditional training deep thin networks from scratch by backpropagation. We also conduct large-scale empirical experiments to validate our approach. By training with our method, ResNet50 can outperform ResNet101, and BERT_BASE can be comparable with BERT_LARGE, where both the latter models are trained via the standard training procedures as in the literature.

Sampling methods (e.g., node-wise, layer-wise, or subgraph) has become an indispensable strategy to speed up training large-scale Graph Neural Networks (GNNs). However, existing sampling methods are mostly based on the graph structural information and ignore the dynamicity of optimization, which leads to high variance in estimating the stochastic gradients. The high variance issue can be very pronounced in extremely large graphs, where it results in slow convergence and poor generalization. In this paper, we theoretically analyze the variance of sampling methods and show that, due to the composite structure of empirical risk, the variance of any sampling method can be decomposed into \textit{embedding approximation variance} in the forward stage and \textit{stochastic gradient variance} in the backward stage that necessities mitigating both types of variance to obtain faster convergence rate. We propose a decoupled variance reduction strategy that employs (approximate) gradient information to adaptively sample nodes with minimal variance, and explicitly reduces the variance introduced by embedding approximation. We show theoretically and empirically that the proposed method, even with smaller mini-batch sizes, enjoys a faster convergence rate and entails a better generalization compared to the existing methods.

Since deep neural networks were developed, they have made huge contributions to everyday lives. Machine learning provides more rational advice than humans are capable of in almost every aspect of daily life. However, despite this achievement, the design and training of neural networks are still challenging and unpredictable procedures. To lower the technical thresholds for common users, automated hyper-parameter optimization (HPO) has become a popular topic in both academic and industrial areas. This paper provides a review of the most essential topics on HPO. The first section introduces the key hyper-parameters related to model training and structure, and discusses their importance and methods to define the value range. Then, the research focuses on major optimization algorithms and their applicability, covering their efficiency and accuracy especially for deep learning networks. This study next reviews major services and toolkits for HPO, comparing their support for state-of-the-art searching algorithms, feasibility with major deep learning frameworks, and extensibility for new modules designed by users. The paper concludes with problems that exist when HPO is applied to deep learning, a comparison between optimization algorithms, and prominent approaches for model evaluation with limited computational resources.

Generative adversarial networks (GANs) are a hot research topic recently. GANs have been widely studied since 2014, and a large number of algorithms have been proposed. However, there is few comprehensive study explaining the connections among different GANs variants, and how they have evolved. In this paper, we attempt to provide a review on various GANs methods from the perspectives of algorithms, theory, and applications. Firstly, the motivations, mathematical representations, and structure of most GANs algorithms are introduced in details. Furthermore, GANs have been combined with other machine learning algorithms for specific applications, such as semi-supervised learning, transfer learning, and reinforcement learning. This paper compares the commonalities and differences of these GANs methods. Secondly, theoretical issues related to GANs are investigated. Thirdly, typical applications of GANs in image processing and computer vision, natural language processing, music, speech and audio, medical field, and data science are illustrated. Finally, the future open research problems for GANs are pointed out.