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1. Convex Geometry and Duality of Over-parameterized Neural Networks

   Ergen, T.; Pilanci, M. (January 2021, Journal of machine learning research)

   We develop a convex analytic approach to analyze finite width two-layer ReLU networks. We first prove that an optimal solution to the regularized training problem can be characterized as extreme points of a convex set, where simple solutions are encouraged via its convex geometrical properties. We then leverage this characterization to show that an optimal set of parameters yield linear spline interpolation for regression problems involving one dimensional or rank-one data. We also characterize the classification decision regions in terms of a kernel matrix and minimum `1-norm solutions. This is in contrast to Neural Tangent Kernel which is unable to explain predictions of finite width networks. Our convex geometric characterization also provides intuitive explanations of hidden neurons as auto-encoders. In higher dimensions, we show that the training problem can be cast as a finite dimensional convex problem with infinitely many constraints. Then, we apply certain convex relaxations and introduce a cutting-plane algorithm to globally optimize the network. We further analyze the exactness of the relaxations to provide conditions for the convergence to a global optimum. Our analysis also shows that optimal network parameters can be also characterized as interpretable closed-form formulas in some practically relevant special cases. 

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2. Revealing the Structure of Deep Neural Networks via Convex Duality

   Ergen, T.; Pilanci, M. (January 2021, International Conference on Machine Learning (ICML) 2021)

   We study regularized deep neural networks (DNNs) and introduce a convex analytic framework to characterize the structure of the hidden layers. We show that a set of optimal hidden layer weights for a norm regularized DNN training problem can be explicitly found as the extreme points of a convex set. For the special case of deep linear networks, we prove that each optimal weight matrix aligns with the previous layers via duality. More importantly, we apply the same characterization to deep ReLU networks with whitened data and prove the same weight alignment holds. As a corollary, we also prove that norm regularized deep ReLU networks yield spline interpolation for one-dimensional datasets which was previously known only for two-layer networks. Furthermore, we provide closed-form solutions for the optimal layer weights when data is rank-one or whitened. The same analysis also applies to architectures with batch normalization even for arbitrary data. Therefore, we obtain a complete explanation for a recent empirical observation termed Neural Collapse where class means collapse to the vertices of a simplex equiangular tight frame. 

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3. Neural Networks are Convex Regularizers: Exact Polynomial-time Convex Optimization Formulations for Two-Layer Networks

   Pilanci, Mert; Ergen, Tolga (January 2020, International Conference on Machine Learning)

   null (Ed.)

   We develop exact representations of training twolayer neural networks with rectified linear units (ReLUs) in terms of a single convex program with number of variables polynomial in the number of training samples and the number of hidden neurons. Our theory utilizes semi-infinite duality and minimum norm regularization. We show that ReLU networks trained with standard weight decay are equivalent to block `1 penalized convex models. Moreover, we show that certain standard convolutional linear networks are equivalent semidefinite programs which can be simplified to `1 regularized linear models in a polynomial sized discrete Fourier feature space. 

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4. Banach Space Representer Theorems for Neural Networks and Ridge Splines

   Parhi, Rahul; Nowak, Robert D (February 2021, Journal of machine learning research)

   We develop a variational framework to understand the properties of the functions learned by neural networks fit to data. We propose and study a family of continuous-domain linear inverse problems with total variation-like regularization in the Radon domain subject to data fitting constraints. We derive a representer theorem showing that finite-width, singlehidden layer neural networks are solutions to these inverse problems. We draw on many techniques from variational spline theory and so we propose the notion of polynomial ridge splines, which correspond to single-hidden layer neural networks with truncated power functions as the activation function. The representer theorem is reminiscent of the classical reproducing kernel Hilbert space representer theorem, but we show that the neural network problem is posed over a non-Hilbertian Banach space. While the learning problems are posed in the continuous-domain, similar to kernel methods, the problems can be recast as finite-dimensional neural network training problems. These neural network training problems have regularizers which are related to the well-known weight decay and path-norm regularizers. Thus, our result gives insight into functional characteristics of trained neural networks and also into the design neural network regularizers. We also show that these regularizers promote neural network solutions with desirable generalization properties. Keywords: neural networks, splines, inverse problems, regularization, sparsity 

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5. The Role of Neural Network Activation Functions

   https://doi.org/10.1109/LSP.2020.3027517  

   Parhi, Rahul; Nowak, Robert D (January 2020, IEEE Signal Processing Letters)

   A wide variety of activation functions have been proposed for neural networks. The Rectified Linear Unit (ReLU) is especially popular today. There are many practical reasons that motivate the use of the ReLU. This paper provides new theoretical characterizations that support the use of the ReLU, its variants such as the leaky ReLU, as well as other activation functions in the case of univariate, single-hidden layer feedforward neural networks. Our results also explain the importance of commonly used strategies in the design and training of neural networks such as “weight decay” and “path-norm” regularization, and provide a new justification for the use of “skip connections” in network architectures. These new insights are obtained through the lens of spline theory. In particular, we show how neural network training problems are related to infinite-dimensional optimizations posed over Banach spaces of functions whose solutions are well-known to be fractional and polynomial splines, where the particular Banach space (which controls the order of the spline) depends on the choice of activation function. 

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