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1. On the Equivalence between Neural Network and Support Vector Machine

   Chen, Y. ; Huang, W. ; Nguyen, L. ; Weng, T.-W. ( December 2021 , Advances in neural information processing systems)

   Recent research shows that the dynamics of an infinitely wide neural network (NN) trained by gradient descent can be characterized by Neural Tangent Kernel (NTK) [27]. Under the squared loss, the infinite-width NN trained by gradient descent with an infinitely small learning rate is equivalent to kernel regression with NTK [4]. However, the equivalence is only known for ridge regression currently [6], while the equivalence between NN and other kernel machines (KMs), e.g. support vector machine (SVM), remains unknown. Therefore, in this work, we propose to establish the equivalence between NN and SVM, and specifically, the infinitely wide NN trained by soft margin loss and the standard soft margin SVM with NTK trained by subgradient descent. Our main theoretical results include establishing the equivalence between NN and a broad family of L2 regularized KMs with finite width bounds, which cannot be handled by prior work, and showing that every finite-width NN trained by such regularized loss functions is approximately a KM. Furthermore, we demonstrate our theory can enable three practical applications, including (i) non-vacuous generalization bound of NN via the corresponding KM; (ii) nontrivial robustness certificate for the infinite-width NN (while existing robustness verification methods would provide vacuous bounds); (iii) intrinsically more robust infinite-width NNs than those from previous kernel regression. 

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2. On the Neural Tangent Kernel Analysis of Randomly Pruned Neural Networks

   Yang, Hongru ; Wang, Zhangyang ( April 2023 , International Conference on Artificial Intelligence and Statistics)

   Motivated by both theory and practice, we study how random pruning of the weights affects a neural network's neural tangent kernel (NTK). In particular, this work establishes an equivalence of the NTKs between a fully-connected neural network and its randomly pruned version. The equivalence is established under two cases. The first main result studies the infinite-width asymptotic. It is shown that given a pruning probability, for fully-connected neural networks with the weights randomly pruned at the initialization, as the width of each layer grows to infinity sequentially, the NTK of the pruned neural network converges to the limiting NTK of the original network with some extra scaling. If the network weights are rescaled appropriately after pruning, this extra scaling can be removed. The second main result considers the finite-width case. It is shown that to ensure the NTK's closeness to the limit, the dependence of width on the sparsity parameter is asymptotically linear, as the NTK's gap to its limit goes down to zero. Moreover, if the pruning probability is set to zero (i.e., no pruning), the bound on the required width matches the bound for fully-connected neural networks in previous works up to logarithmic factors. The proof of this result requires developing a novel analysis of a network structure which we called mask-induced pseudo-networks. Experiments are provided to evaluate our results. 

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3. 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. 

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4. What Can the Neural Tangent Kernel Tell Us About Adversarial Robustness?

   Tsilivis, Nikolaos ; Kempe, Julia ( October 2022 , NeurIPS)

   The adversarial vulnerability of neural nets, and subsequent techniques to create robust models have attracted significant attention; yet we still lack a full understanding of this phenomenon. Here, we study adversarial examples of trained neural networks through analytical tools afforded by recent theory advances connecting neural networks and kernel methods, namely the Neural Tangent Kernel (NTK), following a growing body of work that leverages the NTK approximation to successfully analyze important deep learning phenomena and design algorithms for new applications. We show how NTKs allow to generate adversarial examples in a ``training-free'' fashion, and demonstrate that they transfer to fool their finite-width neural net counterparts in the ``lazy'' regime. We leverage this connection to provide an alternative view on robust and non-robust features, which have been suggested to underlie the adversarial brittleness of neural nets. Specifically, we define and study features induced by the eigendecomposition of the kernel to better understand the role of robust and non-robust features, the reliance on both for standard classification and the robustness-accuracy trade-off. We find that such features are surprisingly consistent across architectures, and that robust features tend to correspond to the largest eigenvalues of the model, and thus are learned early during training. Our framework allows us to identify and visualize non-robust yet useful features. Finally, we shed light on the robustness mechanism underlying adversarial training of neural nets used in practice: quantifying the evolution of the associated empirical NTK, we demonstrate that its dynamics falls much earlier into the ``lazy'' regime and manifests a much stronger form of the well known bias to prioritize learning features within the top eigenspaces of the kernel, compared to standard training. 

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5. Infinite neural network quantum states: entanglement and training dynamics

   https://doi.org/10.1088/2632-2153/ace02f  

   Luo, Di ; Halverson, James ( June 2023 , Machine Learning: Science and Technology)

   We study infinite limits of neural network quantum states ($\mathrm{\infty }$-NNQS), which exhibit representation power through ensemble statistics, and also tractable gradient descent dynamics. Ensemble averages of entanglement entropies are expressed in terms of neural network correlators, and architectures that exhibit volume-law entanglement are presented. The analytic calculations of entanglement entropy bound are tractable because the ensemble statistics are simplified in the Gaussian process limit. A general framework is developed for studying the gradient descent dynamics of neural network quantum states (NNQS), using a quantum state neural tangent kernel (QS-NTK). For$\mathrm{\infty }$-NNQS the training dynamics is simplified, since the QS-NTK becomes deterministic and constant. An analytic solution is derived for quantum state supervised learning, which allows an$\mathrm{\infty }$-NNQS to recover any target wavefunction. Numerical experiments on finite and infinite NNQS in the transverse field Ising model and Fermi Hubbard model demonstrate excellent agreement with theory.$\mathrm{\infty }$-NNQS opens up new opportunities for studying entanglement and training dynamics in other physics applications, such as in finding ground states.

    

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