A quantum neural network (QNN) is a parameterized mapping efficiently implementable on near- term Noisy Intermediate-Scale Quantum (NISQ) computers. It can be used for supervised learn- ing when combined with classical gradient-based optimizers. Despite the existing empirical and theoretical investigations, the convergence of QNN training is not fully understood. Inspired by the success of the neural tangent kernels (NTKs) in probing into the dynamics of classical neural net- works, a recent line of works proposes to study over-parameterized QNNs by examining a quantum version of tangent kernels. In this work, we study the dynamics of QNNs and show that contrary to popular belief it is qualitatively different from that of any kernel regression: due to the unitarity of quantum operations, there is a non- negligible deviation from the tangent kernel regression derived at the random initialization. As a result of the deviation, we prove the at-most sub- linear convergence for QNNs with Pauli measurements, which is beyond the explanatory power of any kernel regression dynamics. We then present the actual dynamics of QNNs in the limit of over- parameterization. The new dynamics capture the change of convergence rate during training, and implies that the range of measurements is crucial to the fast QNN convergence.
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The Recurrent Neural Tangent Kernel
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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- NSF-PAR ID:
- 10374184
- Date Published:
- Journal Name:
- The International Conference on Learning Representations
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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A quantum neural network (QNN) is a parameterized mapping efficiently implementable on near-term Noisy Intermediate-Scale Quantum (NISQ) computers. It can be used for supervised learning when combined with classical gradient-based optimizers. Despite the existing empirical and theoretical investigations, the convergence of QNN training is not fully understood. Inspired by the success of the neural tangent kernels (NTKs) in probing into the dynamics of classical neural networks, a recent line of works proposes to study over-parameterized QNNs by examining a quantum version of tangent kernels. In this work, we study the dynamics of QNNs and show that contrary to popular belief it is qualitatively different from that of any kernel regression: due to the unitarity of quantum operations, there is a nonnegligible deviation from the tangent kernel regression derived at the random initialization. As a result of the deviation, we prove the at-most sublinear convergence for QNNs with Pauli measurements, which is beyond the explanatory power of any kernel regression dynamics. We then present the actual dynamics of QNNs in the limit of over-parameterization. The new dynamics capture the change of convergence rate during training, and implies that the range of measurements is crucial to the fast QNN convergence.more » « less
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null (Ed.)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, 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.more » « less
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Understanding the learning dynamics and inductive bias of neural networks (NNs) is hindered by the opacity of the relationship between NN parameters and the function represented. Partially, this is due to symmetries inherent within the NN parameterization, allowing multiple different parameter settings to result in an identical output function, resulting in both an unclear relationship and redundant degrees of freedom. The NN parameterization is invariant under two symmetries: permutation of the neurons and a continuous family of transformations of the scale of weight and bias parameters. We propose taking a quotient with respect to the second symmetry group and reparametrizing ReLU NNs as continuous piecewise linear splines. Using this spline lens, we study learning dynamics in shallow univariate ReLU NNs, finding unexpected insights and explanations for several perplexing phenomena. We develop a surprisingly simple and transparent view of the structure of the loss surface, including its critical and fixed points, Hessian, and Hessian spectrum. We also show that standard weight initializations yield very flat initial functions, and that this flatness, together with overparametrization and the initial weight scale, is responsible for the strength and type of implicit regularization, consistent with previous work. Our implicit regularization results are complementary to recent work, showing that initialization scale critically controls implicit regularization via a kernel-based argument. Overall, removing the weight scale symmetry enables us to prove these results more simply and enables us to prove new results and gain new insights while offering a far more transparent and intuitive picture. Looking forward, our quotiented spline-based approach will extend naturally to the multivariate and deep settings, and alongside the kernel-based view, we believe it will play a foundational role in efforts to understand neural networks. Videos of learning dynamics using a spline-based visualization are available at http://shorturl.at/tFWZ2 .more » « less
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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.more » « less
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