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1. The Recurrent Neural Tangent Kernel

   Alemohammad, Sina ; Wang, Zichao ; Balestriero, Randall ; Baraniuk, Richard ( May 2021 , The International Conference on Learning Representations)

   The study of deep neural networks (DNNs) in the infinite-width limit, via the so-called neural tangent kernel (NTK) approach, has provided new insights into the dynamics of learning, generalization, and the impact of initialization. One key DNN architecture remains to be kernelized, namely, the recurrent neural network (RNN). In this paper we introduce and study the Recurrent Neural Tangent Kernel (RNTK), which provides new insights into the behavior of overparametrized RNNs. A key property of the RNTK should greatly benefit practitioners is its ability to compare inputs of different length. To this end, we characterize how the RNTK weights different time steps to form its output under different initialization parameters and nonlinearity choices. A synthetic and 56 real-world data experiments demonstrate that the RNTK offers significant performance gains over other kernels, including standard NTKs, across a wide array of data sets.
2. Convex Geometry and Duality of Over-parameterized Neural Networks

   Ergen, Tolga ; Pilanci, Mert ( January 2000 , International Conference on Artificial Intelligence and Statistics (AISTATS 2020))

   We develop a convex analytic framework for ReLU neural networks which elucidates the inner workings of hidden neurons and their function space characteristics. We show that neural networks with rectified linear units act as convex regularizers, where simple solutions are encouraged via extreme points of a certain convex set. For one dimensional regression and classification, as well as rank-one data matrices, we prove that finite two-layer ReLU networks with norm regularization yield linear spline interpolation. We characterize the classification decision regions in terms of a closed form kernel matrix and minimum L1 norm solutions. This is in contrast to Neural Tangent Kernel which is unable to explain neural network predictions with finitely many neurons. Our convex geometric description also provides intuitive explanations of hidden neurons as auto encoders. In higher dimensions, we show that the training problem for two-layer networks can be cast as a finite dimensional convex optimization problem with infinitely many constraints. We then provide a family of convex relaxations to approximate the solution, and a cutting-plane algorithm to improve the relaxations. We derive conditions for the exactness of the relaxations and provide simple closed form formulas for the optimal neural network weights in certain cases. We alsomore »establish a connection to ℓ0-ℓ1 equivalence for neural networks analogous to the minimal cardinality solutions in compressed sensing. Extensive experimental results show that the proposed approach yields interpretable and accurate models.« less
3. On Kernel Method–Based Connectionist Models and Supervised Deep Learning Without Backpropagation

   https://doi.org/10.1162/neco_a_01250  

   Duan, Shiyu ; Yu, Shujian ; Chen, Yunmei ; Principe, Jose ( January 2020 , Neural computation)

   We propose a novel family of connectionist models based on kernel machines and consider the problem of learning layer by layer a compositional hypothesis class (i.e., a feedforward, multilayer architecture) in a supervised setting. In terms of the models, we present a principled method to “kernelize” (partly or completely) any neural network (NN). With this method, we obtain a counterpart of any given NN that is powered by kernel machines instead of neurons. In terms of learning, when learning a feedforward deep architecture in a supervised setting, one needs to train all the components simultaneously using backpropagation (BP) since there are no explicit targets for the hidden layers (Rumelhart, Hinton, & Williams, 1986). We consider without loss of generality the two-layer case and present a general framework that explicitly characterizes a target for the hidden layer that is optimal for minimizing the objective function of the network. This characterization then makes possible a purely greedy training scheme that learns one layer at a time, starting from the input layer. We provide instantiations of the abstract framework under certain architectures and objective functions. Based on these instantiations, we present a layer-wise training algorithm for an l-layer feedforward network for classification, wheremore »l≥2 can be arbitrary. This algorithm can be given an intuitive geometric interpretation that makes the learning dynamics transparent. Empirical results are provided to complement our theory. We show that the kernelized networks, trained layer-wise, compare favorably with classical kernel machines as well as other connectionist models trained by BP. We also visualize the inner workings of the greedy kernelized models to validate our claim on the transparency of the layer-wise algorithm.« less
4. Deep learning versus kernel learning: an empirical study of loss landscape geometry and the time evolution of the Neural Tangent Kernel

   Fort, S ; Dziugaite, G.K. ; Paul, M. ; Kharaghani, S. ; Roy, D.M. ; Ganguli, S. ( December 2020 , Advances in neural information processing systems)

   In suitably initialized wide networks, small learning rates transform deep neural networks (DNNs) into neural tangent kernel (NTK) machines, whose training dynamics is well-approximated by a linear weight expansion of the network at initialization. Standard training, however, diverges from its linearization in ways that are poorly understood. We study the relationship between the training dynamics of nonlinear deep networks, the geometry of the loss landscape, and the time evolution of a data-dependent NTK. We do so through a large-scale phenomenological analysis of training, synthesizing diverse measures characterizing loss landscape geometry and NTK dynamics. In multiple neural architectures and datasets, we find these diverse measures evolve in a highly correlated manner, revealing a universal picture of the deep learning process. In this picture, deep network training exhibits a highly chaotic rapid initial transient that within 2 to 3 epochs determines the final linearly connected basin of low loss containing the end point of training. During this chaotic transient, the NTK changes rapidly, learning useful features from the training data that enables it to outperform the standard initial NTK by a factor of 3 in less than 3 to 4 epochs. After this rapid chaotic transient, the NTK changes at constant velocity,more »and its performance matches that of full network training in 15\% to 45\% of training time. Overall, our analysis reveals a striking correlation between a diverse set of metrics over training time, governed by a rapid chaotic to stable transition in the first few epochs, that together poses challenges and opportunities for the development of more accurate theories of deep learning.« less
5. 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.