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Existing analyses of optimization in deep learning are either continuous, focusing on (variants of) gradient flow, or discrete, directly treating (variants of) gradient descent. Gradient flow is amenable to theoretical analysis, but is stylized and disregards computational efficiency. The extent to which it represents gradient descent is an open question in the theory of deep learning. The current paper studies this question. Viewing gradient descent as an approximate numerical solution to the initial value problem of gradient flow, we find that the degree of approximation depends on the curvature around the gradient flow trajectory. We then show that over deep neural networks with homogeneous activations, gradient flow trajectories enjoy favorable curvature, suggesting they are well approximated by gradient descent. This finding allows us to translate an analysis of gradient flow over deep linear neural networks into a guarantee that gradient descent efficiently converges to global minimum almost surely under random initialization. Experiments suggest that over simple deep neural networks, gradient descent with conventional step size is indeed close to gradient flow. We hypothesize that the theory of gradient flows will unravel mysteries behind deep learning.

Gradient flows are a powerful tool for optimizing functionals in general metric spaces, including the space of probabilities endowed with the Wasserstein metric. A typical approach to solving this optimization problem relies on its connection to the dynamic formulation of optimal transport and the celebrated Jordan-Kinderlehrer-Otto (JKO) scheme. However, this formulation involves optimization over convex functions, which is challenging, especially in high dimensions. In this work, we propose an approach that relies on the recently introduced input-convex neural networks (ICNN) to parametrize the space of convex functions in order to approximate the JKO scheme, as well as in designing functionals over measures that enjoy convergence guarantees. We derive a computationally efficient implementation of this JKO-ICNN framework and experimentally demonstrate its feasibility and validity in approximating solutions of low-dimensional partial differential equations with known solutions. We also demonstrate its viability in high-dimensional applications through an experiment in controlled generation for molecular discovery.

A well-known line of work (Barron, 1993; Breiman, 1993; Klusowski & Barron, 2018) provides bounds on the width $n$ of a ReLU two-layer neural network needed to approximate a function $f$ over the ball $\mathcal{B}_R(\mathbb{R}^d)$ up to error $\epsilon$, when the Fourier based quantity $C_f = \frac{1}{(2\pi)^{d/2}} \int_{\mathbb{R}^d} \|\xi\|^2 |\hat{f}(\xi)| \ d\xi$ is finite. More recently Ongie et al. (2019) used the Radon transform as a tool for analysis of infinite-width ReLU two-layer networks. In particular, they introduce the concept of Radon-based $\mathcal{R}$-norms and show that a function defined on $\mathbb{R}^d$ can be represented as an infinite-width two-layer neural network if and only if its $\mathcal{R}$-norm is finite. In this work, we extend the framework of Ongie et al. (2019) and define similar Radon-based semi-norms ($\mathcal{R}, \mathcal{U}$-norms) such that a function admits an infinite-width neural network representation on a bounded open set $\mathcal{U} \subseteq \mathbb{R}^d$ when its $\mathcal{R}, \mathcal{U}$-norm is finite. Building on this, we derive sparse (finite-width) neural network approximation bounds that refine those of Breiman (1993); Klusowski & Barron (2018). Finally, we show that infinite-width neural network representations on bounded open sets are not unique and study their structure, providing a functional view of mode connectivity.

We give the first polynomial-time algorithm to estimate the mean of a $d$-variate probability distribution with bounded covariance from $\tilde{O}(d)$ independent samples subject to pure differential privacy. Prior algorithms for this problem either incur exponential running time, require $\Omega(d^{1.5})$ samples, or satisfy only the weaker concentrated or approximate differential privacy conditions. In particular, all prior polynomial-time algorithms require $d^{1+\Omega(1)}$ samples to guarantee small privacy loss with "cryptographically" high probability, $1-2^{-d^{\Omega(1)}}$, while our algorithm retains $\tilde{O}(d)$ sample complexity even in this stringent setting. Our main technique is a new approach to use the powerful Sum of Squares method (SoS) to design differentially private algorithms. SoS proofs to algorithms is a key theme in numerous recent works in high-dimensional algorithmic statistics -- estimators which apparently require exponential running time but whose analysis can be captured by low-degree Sum of Squares proofs can be automatically turned into polynomial-time algorithms with the same provable guarantees. We demonstrate a similar proofs to private algorithms phenomenon: instances of the workhorse exponential mechanism which apparently require exponential time but which can be analyzed with low-degree SoS proofs can be automatically turned into polynomial-time differentially private algorithms. We prove a meta-theorem capturing this phenomenon, which we expect to be of broad use in private algorithm design. Our techniques also draw new connections between differentially private and robust statistics in high dimensions. In particular, viewed through our proofs-to-private-algorithms lens, several well-studied SoS proofs from recent works in algorithmic robust statistics directly yield key components of our differentially private mean estimation algorithm.

Satellite networks are promising to provide ubiquitous and high-capacity global wireless connectivity. Traditionally, satellite networks are modeled by placing satellites on a grid of multiple circular orbit geometries. Such a network model, however, requires intricate system-level simulations to evaluate coverage performance, and analytical understanding of the satellite network is limited. Continuing the success of stochastic geometry in a tractable analysis for terrestrial networks, in this paper, we develop novel models that are tractable for the coverage analysis of satellite networks using stochastic geometry. By modeling the locations of satellites and users using Poisson point processes on the surfaces of concentric spheres, we characterize analytical expressions for the coverage probability of a typical downlink user as a function of relevant parameters, including path-loss exponent, satellite height, density, and Nakagami fading parameter. Then, we also derive a tight lower bound of the coverage probability in closed-form expression while keeping full generality. Leveraging the derived expression, we identify the optimal density of satellites in terms of the height and the path-loss exponent. Our key finding is that the optimal average number of satellites decreases logarithmically with the network height to maximize the coverage performance. Simulation results verify the exactness of the derived expressions.

The estimation of information measures of continuous distributions based on samples is a fundamental problem in statistics and machine learning. In this paper, we analyze estimates of differential entropy in $K$-dimensional Euclidean space, computed from a finite number of samples, when the probability density function belongs to a predetermined convex family $\mathcal{P}$. First, estimating differential entropy to any accuracy is shown to be infeasible if the differential entropy of densities in $\mathcal{P}$ is unbounded, clearly showing the necessity of additional assumptions. Subsequently, we investigate sufficient conditions that enable confidence bounds for the estimation of differential entropy. In particular, we provide confidence bounds for simple histogram based estimation of differential entropy from a fixed number of samples, assuming that the probability density function is Lipschitz continuous with known Lipschitz constant and known, bounded support. Our focus is on differential entropy, but we provide examples that show that similar results hold for mutual information and relative entropy as well.

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 investigate how the final parameters found by stochastic gradient descent are influenced by over-parameterization. We generate families of models by increasing the number of channels in a base network, and then perform a large hyper-parameter search to study how the test error depends on learning rate, batch size, and network width. We find that the optimal SGD hyper-parameters are determined by a "normalized noise scale," which is a function of the batch size, learning rate, and initialization conditions. In the absence of batch normalization, the optimal normalized noise scale is directly proportional to width. Wider networks, with their higher optimal noise scale, also achieve higher test accuracy. These observations hold for MLPs, ConvNets, and ResNets, and for two different parameterization schemes ("Standard" and "NTK"). We observe a similar trend with batch normalization for ResNets. Surprisingly, since the largest stable learning rate is bounded, the largest batch size consistent with the optimal normalized noise scale decreases as the width increases.

Graph Neural Networks (GNNs) for representation learning of graphs broadly follow a neighborhood aggregation framework, where the representation vector of a node is computed by recursively aggregating and transforming feature vectors of its neighboring nodes. Many GNN variants have been proposed and have achieved state-of-the-art results on both node and graph classification tasks. However, despite GNNs revolutionizing graph representation learning, there is limited understanding of their representational properties and limitations. Here, we present a theoretical framework for analyzing the expressive power of GNNs in capturing different graph structures. Our results characterize the discriminative power of popular GNN variants, such as Graph Convolutional Networks and GraphSAGE, and show that they cannot learn to distinguish certain simple graph structures. We then develop a simple architecture that is provably the most expressive among the class of GNNs and is as powerful as the Weisfeiler-Lehman graph isomorphism test. We empirically validate our theoretical findings on a number of graph classification benchmarks, and demonstrate that our model achieves state-of-the-art performance.

In this paper, we study the optimal convergence rate for distributed convex optimization problems in networks. We model the communication restrictions imposed by the network as a set of affine constraints and provide optimal complexity bounds for four different setups, namely: the function $F(\xb) \triangleq \sum_{i=1}^{m}f_i(\xb)$ is strongly convex and smooth, either strongly convex or smooth or just convex. Our results show that Nesterov's accelerated gradient descent on the dual problem can be executed in a distributed manner and obtains the same optimal rates as in the centralized version of the problem (up to constant or logarithmic factors) with an additional cost related to the spectral gap of the interaction matrix. Finally, we discuss some extensions to the proposed setup such as proximal friendly functions, time-varying graphs, improvement of the condition numbers.