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 $\mathcal{B}_R(\R^d)$ up to error $\epsilon$, when the Fourier based quantity $C_f = \int_{\R^d} \|\xi\|^2 |\hat{f}(\xi)| \ d\xi$ 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 $\R^d$ 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 $\mathcal{U} \subseteq \R^d$ 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.
Defeaturing consists in simplifying geometrical models by removing the geometrical features that are considered not relevant for a given simulation. Feature removal and simplification of computer-aided design models enables faster simulations for engineering analysis problems, and simplifies the meshing problem that is otherwise often unfeasible. The effects of defeaturing on the analysis are then neglected and, as of today, there are basically very few strategies to quantitatively evaluate such an impact. Understanding well the effects of this process is an important step for automatic integration of design and analysis. We formalize the process of defeaturing by understanding its effect on the solution of Poisson equation defined on the geometrical model of interest containing a single feature, with Neumann boundary conditions on the feature itself. We derive an a posteriori estimator of the energy error between the solutions of the exact and the defeatured geometries in $\mathbb{R}^n$, $n\in\{2,3\}$, that is simple, reliable and efficient up to oscillations. The dependence of the estimator upon the size of the features is explicit.
Given a simple graph $G$ and an integer $k$, the goal of $k$-Clique problem is to decide if $G$ contains a complete subgraph of size $k$. We say an algorithm approximates $k$-Clique within a factor $g(k)$ if it can find a clique of size at least $k / g(k)$ when $G$ is guaranteed to have a $k$-clique. Recently, it was shown that approximating $k$-Clique within a constant factor is W[1]-hard [Lin21]. We study the approximation of $k$-Clique under the Exponential Time Hypothesis (ETH). The reduction of [Lin21] already implies an $n^{\Omega(\sqrt[6]{\log k})}$-time lower bound under ETH. We improve this lower bound to $n^{\Omega(\log k)}$. Using the gap-amplification technique by expander graphs, we also prove that there is no $k^{o(1)}$ factor FPT-approximation algorithm for $k$-Clique under ETH. We also suggest a new way to prove the Parameterized Inapproximability Hypothesis (PIH) under ETH. We show that if there is no $n^{O(\frac{k}{\log k})}$ algorithm to approximate $k$-Clique within a constant factor, then PIH is true.
Large-scale optimization problems that seek sparse solutions have become ubiquitous. They are routinely solved with various specialized first-order methods. Although such methods are often fast, they usually struggle with not-so-well conditioned problems. In this paper, specialized variants of an interior point-proximal method of multipliers are proposed and analyzed for problems of this class. Computational experience on a variety of problems, namely, multi-period portfolio optimization, classification of data coming from functional Magnetic Resonance Imaging, restoration of images corrupted by Poisson noise, and classification via regularized logistic regression, provides substantial evidence that interior point methods, equipped with suitable linear algebra, can offer a noticeable advantage over first-order approaches.
Among the several paradigms of artificial intelligence (AI) or machine learning (ML), a remarkably successful paradigm is deep learning. Deep learning's phenomenal success has been hoped to be interpreted via fundamental research on the theory of deep learning. Accordingly, applied research on deep learning has spurred the theory of deep learning-oriented depth and breadth of developments. Inspired by such developments, we pose these fundamental questions: can we accurately approximate an arbitrary matrix-vector product using deep rectified linear unit (ReLU) feedforward neural networks (FNNs)? If so, can we bound the resulting approximation error? In light of these questions, we derive error bounds in Lebesgue and Sobolev norms that comprise our developed deep approximation theory. Guided by this theory, we have successfully trained deep ReLU FNNs whose test results justify our developed theory. The developed theory is also applicable for guiding and easing the training of teacher deep ReLU FNNs in view of the emerging teacher-student AI or ML paradigms that are essential for solving several AI or ML problems in wireless communications and signal processing; network science and graph signal processing; and network neuroscience and brain physics.
We study the problem of density estimation for a random vector ${\boldsymbol X}$ in $\mathbb R^d$ with probability density $f(\boldsymbol x)$. For a spanning tree $T$ defined on the vertex set $\{1,\dots ,d\}$, the tree density $f_{T}$ is a product of bivariate conditional densities. The optimal spanning tree $T^*$ is the spanning tree $T$, for which the Kullback-Leibler divergence of $f$ and $f_{T}$ is the smallest. From i.i.d. data we identify the optimal tree $T^*$ and computationally efficiently construct a tree density estimate $f_n$ such that, without any regularity conditions on the density $f$, one has that $\lim_{n\to \infty} \int |f_n(\boldsymbol x)-f_{T^*}(\boldsymbol x)|d\boldsymbol x=0$ a.s. For Lipschitz continuous $f$ with bounded support, $\mathbb E\{ \int |f_n(\boldsymbol x)-f_{T^*}(\boldsymbol x)|d\boldsymbol x\}=O(n^{-1/4})$.
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.
We introduce definitions of computable PAC learning for binary classification over computable metric spaces. We provide sufficient conditions for learners that are empirical risk minimizers (ERM) to be computable, and bound the strong Weihrauch degree of an ERM learner under more general conditions. We also give a presentation of a hypothesis class that does not admit any proper computable PAC learner with computable sample function, despite the underlying class being PAC learnable.
When and why can a neural network be successfully trained? This article provides an overview of optimization algorithms and theory for training neural networks. First, we discuss the issue of gradient explosion/vanishing and the more general issue of undesirable spectrum, and then discuss practical solutions including careful initialization and normalization methods. Second, we review generic optimization methods used in training neural networks, such as SGD, adaptive gradient methods and distributed methods, and theoretical results for these algorithms. Third, we review existing research on the global issues of neural network training, including results on bad local minima, mode connectivity, lottery ticket hypothesis and infinite-width analysis.
Graph Convolutional Networks (GCNs) have recently become the primary choice for learning from graph-structured data, superseding hash fingerprints in representing chemical compounds. However, GCNs lack the ability to take into account the ordering of node neighbors, even when there is a geometric interpretation of the graph vertices that provides an order based on their spatial positions. To remedy this issue, we propose Geometric Graph Convolutional Network (geo-GCN) which uses spatial features to efficiently learn from graphs that can be naturally located in space. Our contribution is threefold: we propose a GCN-inspired architecture which (i) leverages node positions, (ii) is a proper generalisation of both GCNs and Convolutional Neural Networks (CNNs), (iii) benefits from augmentation which further improves the performance and assures invariance with respect to the desired properties. Empirically, geo-GCN outperforms state-of-the-art graph-based methods on image classification and chemical tasks.
In this work, we consider the distributed optimization of non-smooth convex functions using a network of computing units. We investigate this problem under two regularity assumptions: (1) the Lipschitz continuity of the global objective function, and (2) the Lipschitz continuity of local individual functions. Under the local regularity assumption, we provide the first optimal first-order decentralized algorithm called multi-step primal-dual (MSPD) and its corresponding optimal convergence rate. A notable aspect of this result is that, for non-smooth functions, while the dominant term of the error is in $O(1/\sqrt{t})$, the structure of the communication network only impacts a second-order term in $O(1/t)$, where $t$ is time. In other words, the error due to limits in communication resources decreases at a fast rate even in the case of non-strongly-convex objective functions. Under the global regularity assumption, we provide a simple yet efficient algorithm called distributed randomized smoothing (DRS) based on a local smoothing of the objective function, and show that DRS is within a $d^{1/4}$ multiplicative factor of the optimal convergence rate, where $d$ is the underlying dimension.