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Register a new userWeighted Neural Tangent Kernel: A Generalized and Improved Network-Induced Kernel
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Lei Tan
Publication date
2021
fields
Informatics Engineering
and research's language is
English
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The Neural Tangent Kernel (NTK) has recently attracted intense study, as it describes the evolution of an over-parameterized Neural Network (NN) trained by gradient descent. However, it is now well-known that gradient descent is not always a good optimizer for NNs, which can partially explain the unsatisfactory practical performance of the NTK regression estimator. In this paper, we introduce the Weighted Neural Tangent Kernel (WNTK), a generalized and improved tool, which can capture an over-parameterized NNs training dynamics under different optimizers. Theoretically, in the infinite-width limit, we prove: i) the stability of the WNTK at initialization and during training, and ii) the equivalence between the WNTK regression estimator and the corresponding NN estimator with different learning rates on different parameters. With the proposed weight update algorithm, both empirical and analytical WNTKs outperform the corresponding NTKs in numerical experiments.
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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.
A remarkable recent discovery in machine learning has been that deep neural networks can achieve impressive performance (in terms of both lower training error and higher generalization capacity) in the regime where they are massively over-parameterized. Consequently, over the past year, the community has devoted growing interest in analyzing optimization and generalization properties of over-parameterized networks, and several breakthrough works have led to important theoretical progress. However, the majority of existing work only applies to supervised learning scenarios and hence are limited to settings such as classification and regression. In contrast, the role of over-parameterization in the unsupervised setting has gained far less attention. In this paper, we study the gradient dynamics of two-layer over-parameterized autoencoders with ReLU activation. We make very few assumptions about the given training dataset (other than mild non-degeneracy conditions). Starting from a randomly initialized autoencoder network, we rigorously prove the linear convergence of gradient descent in two learning regimes, namely: (i) the weakly-trained regime where only the encoder is trained, and (ii) the jointly-trained regime where both the encoder and the decoder are trained. Our results indicate the considerable benefits of joint training over weak training for finding global optima, achieving a dramatic decrease in the required level of over-parameterization. We also analyze the case of weight-tied autoencoders (which is a commonly used architectural choice in practical settings) and prove that in the over-parameterized setting, training such networks from randomly initialized points leads to certain unexpected degeneracies.
Kernels derived from deep neural networks (DNNs) in the infinite-width provide not only high performance in a range of machine learning tasks but also new theoretical insights into DNN training dynamics and generalization. In this paper, we extend the family of kernels associated with recurrent neural networks (RNNs), which were previously derived only for simple RNNs, to more complex architectures that are bidirectional RNNs and RNNs with average pooling. We also develop a fast GPU implementation to exploit its full practical potential. While RNNs are typically only applied to time-series data, we demonstrate that classifiers using RNN-based kernels outperform a range of baseline methods on 90 non-time-series datasets from the UCI data repository.
The Neural Tangent Kernel (NTK) has discovered connections between deep neural networks and kernel methods with insights of optimization and generalization. Motivated by this, recent works report that NTK can achieve better performances compared to training neural networks on small-scale datasets. However, results under large-scale settings are hardly studied due to the computational limitation of kernel methods. In this work, we propose an efficient feature map construction of the NTK of fully-connected ReLU network which enables us to apply it to large-scale datasets. We combine random features of the arc-cosine kernels with a sketching-based algorithm which can run in linear with respect to both the number of data points and input dimension. We show that dimension of the resulting features is much smaller than other baseline feature map constructions to achieve comparable error bounds both in theory and practice. We additionally utilize the leverage score based sampling for improved bounds of arc-cosine random features and prove a spectral approximation guarantee of the proposed feature map to the NTK matrix of two-layer neural network. We benchmark a variety of machine learning tasks to demonstrate the superiority of the proposed scheme. In particular, our algorithm can run tens of magnitude faster than the exact kernel methods for large-scale settings without performance loss.
We present a novel neural network Maximum Mean Discrepancy (MMD) statistic by identifying a connection between neural tangent kernel (NTK) and MMD statistic. This connection enables us to develop a computationally efficient and memory-efficient approach to compute the MMD statistic and perform neural network based two-sample tests towards addressing the long-standing challenge of memory and computational complexity of the MMD statistic, which is essential for online implementation to assimilate new samples. Theoretically, such a connection allows us to understand the properties of the new test statistic, such as Type-I error and testing power for performing the two-sample test, by leveraging analysis tools for kernel MMD. Numerical experiments on synthetic and real-world datasets validate the theory and demonstrate the effectiveness of the proposed NTK-MMD statistic.
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