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In this paper, we propose a semigroup method for solving high-dimensional elliptic partial differential equations (PDEs) and the associated eigenvalue problems based on neural networks. For the PDE problems, we reformulate the original equations as variational problems with the help of semigroup operators and then solve the variational problems with neural network (NN) parameterization. The main advantages are that no mixed second-order derivative computation is needed during the stochastic gradient descent training and that the boundary conditions are taken into account automatically by the semigroup operator. Unlike popular methods like PINN \cite{raissi2019physics} and Deep Ritz \cite{weinan2018deep} where the Dirichlet boundary condition is enforced solely through penalty functions and thus changes the true solution, the proposed method is able to address the boundary conditions without penalty functions and it gives the correct true solution even when penalty functions are added, thanks to the semigroup operator. For eigenvalue problems, a primal-dual method is proposed, efficiently resolving the constraint with a simple scalar dual variable and resulting in a faster algorithm compared with the BSDE solver \cite{han2020solving} in certain problems such as the eigenvalue problem associated with the linear Schr\"odinger operator. Numerical results are provided to demonstrate the performance of the proposed methods.

With the fast development of modern deep learning techniques, the study of dynamic systems and neural networks is increasingly benefiting each other in a lot of different ways. Since uncertainties often arise in real world observations, SDEs (stochastic differential equations) come to play an important role. To be more specific, in this paper, we use a collection of SDEs equipped with neural networks to predict long-term trend of noisy time series which has big jump properties and high probability distribution shift. Our contributions are, first, we explored SDEs driven by $\alpha$-stable L\'evy motion to model the time series data and solved the problem through neural network approximation. Second, we theoretically proved the convergence of the model and obtained the convergence rate. Finally, we illustrated our method by applying it to stock marketing time series prediction and found the convergence order of error.

Stochastic majorization-minimization (SMM) is an online extension of the classical principle of majorization-minimization, which consists of sampling i.i.d. data points from a fixed data distribution and minimizing a recursively defined majorizing surrogate of an objective function. In this paper, we introduce stochastic block majorization-minimization, where the surrogates can now be only block multi-convex and a single block is optimized at a time within a diminishing radius. Relaxing the standard strong convexity requirements for surrogates in SMM, our framework gives wider applicability including online CANDECOMP/PARAFAC (CP) dictionary learning and yields greater computational efficiency especially when the problem dimension is large. We provide an extensive convergence analysis on the proposed algorithm, which we derive under possibly dependent data streams, relaxing the standard i.i.d. assumption on data samples. We show that the proposed algorithm converges almost surely to the set of stationary points of a nonconvex objective under constraints at a rate $O((\log n)^{1+\eps}/n^{1/2})$ for the empirical loss function and $O((\log n)^{1+\eps}/n^{1/4})$ for the expected loss function, where $n$ denotes the number of data samples processed. Under some additional assumption, the latter convergence rate can be improved to $O((\log n)^{1+\eps}/n^{1/2})$. Our results provide first convergence rate bounds for various online matrix and tensor decomposition algorithms under a general Markovian data setting.

We argue the Fisher information matrix (FIM) of one hidden layer networks with the ReLU activation function. Let $W$ denote the $d \times p$ weight matrix from the $d$-dimensional input to the hidden layer consisting of $p$ neurons, and $v$ the $p$-dimensional weight vector from the hidden layer to the scalar output. We focus on the FIM of $v$, which we denote as $I$. When $p$ is large, under certain conditions, the following approximately holds. 1) There are three major clusters in the eigenvalue distribution. 2) Since $I$ is non-negative owing to the ReLU, the first eigenvalue is the Perron-Frobenius eigenvalue. 3) For the cluster of the next maximum values, the eigenspace is spanned by the row vectors of $W$. 4) The direct sum of the eigenspace of the first eigenvalue and that of the third cluster is spanned by the set of all the vectors obtained as the Hadamard product of any pair of the row vectors of $W$. We confirmed by numerical simulation that the above is approximately correct when the number of hidden nodes is about 10000.

Although Deep Neural Networks (DNNs) have shown incredible performance in perceptive and control tasks, several trustworthy issues are still open. One of the most discussed topics is the existence of adversarial perturbations, which has opened an interesting research line on provable techniques capable of quantifying the robustness of a given input. In this regard, the Euclidean distance of the input from the classification boundary denotes a well-proved robustness assessment as the minimal affordable adversarial perturbation. Unfortunately, computing such a distance is highly complex due the non-convex nature of NNs. Despite several methods have been proposed to address this issue, to the best of our knowledge, no provable results have been presented to estimate and bound the error committed. This paper addresses this issue by proposing two lightweight strategies to find the minimal adversarial perturbation. Differently from the state-of-the-art, the proposed approach allows formulating an error estimation theory of the approximate distance with respect to the theoretical one. Finally, a substantial set of experiments is reported to evaluate the performance of the algorithms and support the theoretical findings. The obtained results show that the proposed strategies approximate the theoretical distance for samples close to the classification boundary, leading to provable robustness guarantees against any adversarial attacks.

Despite their overwhelming capacity to overfit, deep neural networks trained by specific optimization algorithms tend to generalize well to unseen data. Recently, researchers explained it by investigating the implicit regularization effect of optimization algorithms. A remarkable progress is the work (Lyu&Li, 2019), which proves gradient descent (GD) maximizes the margin of homogeneous deep neural networks. Except GD, adaptive algorithms such as AdaGrad, RMSProp and Adam are popular owing to their rapid training process. However, theoretical guarantee for the generalization of adaptive optimization algorithms is still lacking. In this paper, we study the implicit regularization of adaptive optimization algorithms when they are optimizing the logistic loss on homogeneous deep neural networks. We prove that adaptive algorithms that adopt exponential moving average strategy in conditioner (such as Adam and RMSProp) can maximize the margin of the neural network, while AdaGrad that directly sums historical squared gradients in conditioner can not. It indicates superiority on generalization of exponential moving average strategy in the design of the conditioner. Technically, we provide a unified framework to analyze convergent direction of adaptive optimization algorithms by constructing novel adaptive gradient flow and surrogate margin. Our experiments can well support the theoretical findings on convergent direction of adaptive optimization algorithms.

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.

We study the problem of training deep neural networks with Rectified Linear Unit (ReLU) activiation function using gradient descent and stochastic gradient descent. In particular, we study the binary classification problem and show that for a broad family of loss functions, with proper random weight initialization, both gradient descent and stochastic gradient descent can find the global minima of the training loss for an over-parameterized deep ReLU network, under mild assumption on the training data. The key idea of our proof is that Gaussian random initialization followed by (stochastic) gradient descent produces a sequence of iterates that stay inside a small perturbation region centering around the initial weights, in which the empirical loss function of deep ReLU networks enjoys nice local curvature properties that ensure the global convergence of (stochastic) gradient descent. Our theoretical results shed light on understanding the optimization of deep learning, and pave the way to study the optimization dynamics of training modern deep neural networks.

We propose a new method of estimation in topic models, that is not a variation on the existing simplex finding algorithms, and that estimates the number of topics K from the observed data. We derive new finite sample minimax lower bounds for the estimation of A, as well as new upper bounds for our proposed estimator. We describe the scenarios where our estimator is minimax adaptive. Our finite sample analysis is valid for any number of documents (n), individual document length (N_i), dictionary size (p) and number of topics (K), and both p and K are allowed to increase with n, a situation not handled well by previous analyses. We complement our theoretical results with a detailed simulation study. We illustrate that the new algorithm is faster and more accurate than the current ones, although we start out with a computational and theoretical disadvantage of not knowing the correct number of topics K, while we provide the competing methods with the correct value in our simulations.

We develop an approach to risk minimization and stochastic optimization that provides a convex surrogate for variance, allowing near-optimal and computationally efficient trading between approximation and estimation error. Our approach builds off of techniques for distributionally robust optimization and Owen's empirical likelihood, and we provide a number of finite-sample and asymptotic results characterizing the theoretical performance of the estimator. In particular, we show that our procedure comes with certificates of optimality, achieving (in some scenarios) faster rates of convergence than empirical risk minimization by virtue of automatically balancing bias and variance. We give corroborating empirical evidence showing that in practice, the estimator indeed trades between variance and absolute performance on a training sample, improving out-of-sample (test) performance over standard empirical risk minimization for a number of classification problems.