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Register a new userOptimization of Graph Neural Networks with Natural Gradient Descent
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In this work, we propose to employ information-geometric tools to optimize a graph neural network architecture such as the graph convolutional networks. More specifically, we develop optimization algorithms for the graph-based semi-supervised learning by employing the natural gradient information in the optimization process. This allows us to efficiently exploit the geometry of the underlying statistical model or parameter space for optimization and inference. To the best of our knowledge, this is the first work that has utilized the natural gradient for the optimization of graph neural networks that can be extended to other semi-supervised problems. Efficient computations algorithms are developed and extensive numerical studies are conducted to demonstrate the superior performance of our algorithms over existing algorithms such as ADAM and SGD.
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Deep neural networks with batch normalization (BN-DNNs) are invariant to weight rescaling due to their normalization operations. However, using weight decay (WD) benefits these weight-scale-invariant networks, which is often attributed to an increase of the effective learning rate when the weight norms are decreased. In this paper, we demonstrate the insufficiency of the previous explanation and investigate the implicit biases of stochastic gradient descent (SGD) on BN-DNNs to provide a theoretical explanation for the efficacy of weight decay. We identity two implicit biases of SGD on BN-DNNs: 1) the weight norms in SGD training remain constant in the continuous-time domain and keep increasing in the discrete-time domain; 2) SGD optimizes weight vectors in fully-connected networks or convolution kernels in convolution neural networks by updating components lying in the input feature span, while leaving those components orthogonal to the input feature span unchanged. Thus, SGD without WD accumulates weight noise orthogonal to the input feature span, and cannot eliminate such noise. Our empirical studies corroborate the hypothesis that weight decay suppresses weight noise that is left untouched by SGD. Furthermore, we propose to use weight rescaling (WRS) instead of weight decay to achieve the same regularization effect, while avoiding performance degradation of WD on some momentum-based optimizers. Our empirical results on image recognition show that regardless of optimization methods and network architectures, training BN-DNNs using WRS achieves similar or better performance compared with using WD. We also show that training with WRS generalizes better compared to WD, on other computer vision tasks.
We empirically demonstrate that full-batch gradient descent on neural network training objectives typically operates in a regime we call the Edge of Stability. In this regime, the maximum eigenvalue of the training loss Hessian hovers just above the numerical value $2 / text{(step size)}$, and the training loss behaves non-monotonically over short timescales, yet consistently decreases over long timescales. Since this behavior is inconsistent with several widespread presumptions in the field of optimization, our findings raise questions as to whether these presumptions are relevant to neural network training. We hope that our findings will inspire future efforts aimed at rigorously understanding optimization at the Edge of Stability. Code is available at https://github.com/locuslab/edge-of-stability.
Natural gradient descent has proven effective at mitigating the effects of pathological curvature in neural network optimization, but little is known theoretically about its convergence properties, especially for emph{nonlinear} networks. In this work, we analyze for the first time the speed of convergence of natural gradient descent on nonlinear neural networks with squared-error loss. We identify two conditions which guarantee efficient convergence from random initializations: (1) the Jacobian matrix (of networks output for all training cases with respect to the parameters) has full row rank, and (2) the Jacobian matrix is stable for small perturbations around the initialization. For two-layer ReLU neural networks, we prove that these two conditions do in fact hold throughout the training, under the assumptions of nondegenerate inputs and overparameterization. We further extend our analysis to more general loss functions. Lastly, we show that K-FAC, an approximate natural gradient descent method, also converges to global minima under the same assumptions, and we give a bound on the rate of this convergence.
Developing efficient and principled neural architecture optimization methods is a critical challenge of modern deep learning. Recently, Liu et al.[19] proposed a splitting steepest descent (S2D) method that jointly optimizes the neural parameters and architectures based on progressively growing network structures by splitting neurons into multiple copies in a steepest descent fashion. However, S2D suffers from a local optimality issue when all the neurons become splitting stable, a concept akin to local stability in parametric optimization. In this work, we develop a significant and surprising extension of the splitting descent framework that addresses the local optimality issue. The idea is to observe that the original S2D is unnecessarily restricted to splitting neurons into positive weighted copies. By simply allowing both positive and negative weights during splitting, we can eliminate the appearance of splitting stability in S2D and hence escape the local optima to obtain better performance. By incorporating signed splittings, we significantly extend the optimization power of splitting steepest descent both theoretically and empirically. We verify our method on various challenging benchmarks such as CIFAR-100, ImageNet and ModelNet40, on which we outperform S2D and other advanced methods on learning accurate and energy-efficient neural networks.
Designing energy-efficient networks is of critical importance for enabling state-of-the-art deep learning in mobile and edge settings where the computation and energy budgets are highly limited. Recently, Liu et al. (2019) framed the search of efficient neural architectures into a continuous splitting process: it iteratively splits existing neurons into multiple off-springs to achieve progressive loss minimization, thus finding novel architectures by gradually growing the neural network. However, this method was not specifically tailored for designing energy-efficient networks, and is computationally expensive on large-scale benchmarks. In this work, we substantially improve Liu et al. (2019) in two significant ways: 1) we incorporate the energy cost of splitting different neurons to better guide the splitting process, thereby discovering more energy-efficient network architectures; 2) we substantially speed up the splitting process of Liu et al. (2019), which requires expensive eigen-decomposition, by proposing a highly scalable Rayleigh-quotient stochastic gradient algorithm. Our fast algorithm allows us to reduce the computational cost of splitting to the same level of typical back-propagation updates and enables efficient implementation on GPU. Extensive empirical results show that our method can train highly accurate and energy-efficient networks on challenging datasets such as ImageNet, improving a variety of baselines, including the pruning-based methods and expert-designed architectures.
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