Training neural networks with batch normalization and weight decay has become a common practice in recent years. In this work, we show that their combined use may result in a surprising periodic behavior of optimization dynamics: the training process regularly exhibits destabilizations that, however, do not lead to complete divergence but cause a new period of training. We rigorously investigate the mechanism underlying the discovered periodic behavior from both empirical and theoretical points of view and analyze the conditions in which it occurs in practice. We also demonstrate that periodic behavior can be regarded as a generalization of two previously opposing perspectives on training with batch normalization and weight decay, namely the equilibrium presumption and the instability presumption.
Understanding implicit bias of gradient descent has been an important goal in machine learning research. Unfortunately, even for a single-neuron ReLU network, it recently proved impossible to characterize the implicit regularization with the square loss by an explicit function of the norm of model parameters. In order to close the gap between the existing theory and the intriguing empirical behavior of ReLU networks, here we examine the gradient flow dynamics in the parameter space when training single-neuron ReLU networks. Specifically, we discover implicit bias in terms of support vectors in ReLU networks, which play a key role in why and how ReLU networks generalize well. Moreover, we analyze gradient flows with respect to the magnitude of the norm of initialization, and show the impact of the norm in gradient dynamics. Lastly, under some conditions, we prove that the norm of the learned weight strictly increases on the gradient flow.
Stochastic Gradient Descent (SGD) is the workhorse algorithm of deep learning technology. At each step of the training phase, a mini batch of samples is drawn from the training dataset and the weights of the neural network are adjusted according to the performance on this specific subset of examples. The mini-batch sampling procedure introduces a stochastic dynamics to the gradient descent, with a non-trivial state-dependent noise. We characterize the stochasticity of SGD and a recently-introduced variant, \emph{persistent} SGD, in a prototypical neural network model. In the under-parametrized regime, where the final training error is positive, the SGD dynamics reaches a stationary state and we define an effective temperature from the fluctuation-dissipation theorem, computed from dynamical mean-field theory. We use the effective temperature to quantify the magnitude of the SGD noise as a function of the problem parameters. In the over-parametrized regime, where the training error vanishes, we measure the noise magnitude of SGD by computing the average distance between two replicas of the system with the same initialization and two different realizations of SGD noise. We find that the two noise measures behave similarly as a function of the problem parameters. Moreover, we observe that noisier algorithms lead to wider decision boundaries of the corresponding constraint satisfaction problem.
Common practice when using recurrent neural networks (RNNs) is to apply a model to sequences longer than those seen in training. This "extrapolating" usage deviates from the traditional statistical learning setup where guarantees are provided under the assumption that train and test distributions are identical. Here we set out to understand when RNNs can extrapolate, focusing on a simple case where the data generating distribution is memoryless. We first show that even with infinite training data, there exist RNN models that interpolate perfectly (i.e., they fit the training data) yet extrapolate poorly to longer sequences. We then show that if gradient descent is used for training, learning will converge to perfect extrapolation under certain assumption on initialization. Our results complement recent studies on the implicit bias of gradient descent, showing that it plays a key role in extrapolation when learning temporal prediction models.
Self-training algorithms, which train a model to fit pseudolabels predicted by another previously-learned model, have been very successful for learning with unlabeled data using neural networks. However, the current theoretical understanding of self-training only applies to linear models. This work provides a unified theoretical analysis of self-training with deep networks for semi-supervised learning, unsupervised domain adaptation, and unsupervised learning. At the core of our analysis is a simple but realistic ``expansion'' assumption, which states that a low-probability subset of the data must expand to a neighborhood with large probability relative to the subset. We also assume that neighborhoods of examples in different classes have minimal overlap. We prove that under these assumptions, the minimizers of population objectives based on self-training and input-consistency regularization will achieve high accuracy with respect to ground-truth labels. By using off-the-shelf generalization bounds, we immediately convert this result to sample complexity guarantees for neural nets that are polynomial in the margin and Lipschitzness. Our results help explain the empirical successes of recently proposed self-training algorithms which use input consistency regularization.
Training large deep neural networks on massive datasets is computationally very challenging. There has been recent surge in interest in using large batch stochastic optimization methods to tackle this issue. The most prominent algorithm in this line of research is LARS, which by employing layerwise adaptive learning rates trains ResNet on ImageNet in a few minutes. However, LARS performs poorly for attention models like BERT, indicating that its performance gains are not consistent across tasks. In this paper, we first study a principled layerwise adaptation strategy to accelerate training of deep neural networks using large mini-batches. Using this strategy, we develop a new layerwise adaptive large batch optimization technique called LAMB; we then provide convergence analysis of LAMB as well as LARS, showing convergence to a stationary point in general nonconvex settings. Our empirical results demonstrate the superior performance of LAMB across various tasks such as BERT and ResNet-50 training with very little hyperparameter tuning. In particular, for BERT training, our optimizer enables use of very large batch sizes of 32868 without any degradation of performance. By increasing the batch size to the memory limit of a TPUv3 Pod, BERT training time can be reduced from 3 days to just 76 minutes (Table 1).
Batch Normalization (BN) improves both convergence and generalization in training neural networks. This work understands these phenomena theoretically. We analyze BN by using a basic block of neural networks, consisting of a kernel layer, a BN layer, and a nonlinear activation function. This basic network helps us understand the impacts of BN in three aspects. First, by viewing BN as an implicit regularizer, BN can be decomposed into population normalization (PN) and gamma decay as an explicit regularization. Second, learning dynamics of BN and the regularization show that training converged with large maximum and effective learning rate. Third, generalization of BN is explored by using statistical mechanics. Experiments demonstrate that BN in convolutional neural networks share the same traits of regularization as the above analyses.
Why deep neural networks (DNNs) capable of overfitting often generalize well in practice is a mystery in deep learning. Existing works indicate that this observation holds for both complicated real datasets and simple datasets of one-dimensional (1-d) functions. In this work, for natural images and low-frequency dominant 1-d functions, we empirically found that a DNN with common settings first quickly captures the dominant low-frequency components, and then relatively slowly captures high-frequency ones. We call this phenomenon Frequency Principle (F-Principle). F-Principle can be observed over various DNN setups of different activation functions, layer structures and training algorithms in our experiments. F-Principle can be used to understand (i) the behavior of DNN training in the information plane and (ii) why DNNs often generalize well albeit its ability of overfitting. This F-Principle potentially can provide insights into understanding the general principle underlying DNN optimization and generalization for real datasets.
For neural networks (NNs) with rectified linear unit (ReLU) or binary activation functions, we show that their training can be accomplished in a reduced parameter space. Specifically, the weights in each neuron can be trained on the unit sphere, as opposed to the entire space, and the threshold can be trained in a bounded interval, as opposed to the real line. We show that the NNs in the reduced parameter space are mathematically equivalent to the standard NNs with parameters in the whole space. The reduced parameter space shall facilitate the optimization procedure for the network training, as the search space becomes (much) smaller. We demonstrate the improved training performance using numerical examples.
Recent years have witnessed significant progresses in deep Reinforcement Learning (RL). Empowered with large scale neural networks, carefully designed architectures, novel training algorithms and massively parallel computing devices, researchers are able to attack many challenging RL problems. However, in machine learning, more training power comes with a potential risk of more overfitting. As deep RL techniques are being applied to critical problems such as healthcare and finance, it is important to understand the generalization behaviors of the trained agents. In this paper, we conduct a systematic study of standard RL agents and find that they could overfit in various ways. Moreover, overfitting could happen "robustly": commonly used techniques in RL that add stochasticity do not necessarily prevent or detect overfitting. In particular, the same agents and learning algorithms could have drastically different test performance, even when all of them achieve optimal rewards during training. The observations call for more principled and careful evaluation protocols in RL. We conclude with a general discussion on overfitting in RL and a study of the generalization behaviors from the perspective of inductive bias.
Batch Normalization (BN) is a milestone technique in the development of deep learning, enabling various networks to train. However, normalizing along the batch dimension introduces problems --- BN's error increases rapidly when the batch size becomes smaller, caused by inaccurate batch statistics estimation. This limits BN's usage for training larger models and transferring features to computer vision tasks including detection, segmentation, and video, which require small batches constrained by memory consumption. In this paper, we present Group Normalization (GN) as a simple alternative to BN. GN divides the channels into groups and computes within each group the mean and variance for normalization. GN's computation is independent of batch sizes, and its accuracy is stable in a wide range of batch sizes. On ResNet-50 trained in ImageNet, GN has 10.6% lower error than its BN counterpart when using a batch size of 2; when using typical batch sizes, GN is comparably good with BN and outperforms other normalization variants. Moreover, GN can be naturally transferred from pre-training to fine-tuning. GN can outperform or compete with its BN-based counterparts for object detection and segmentation in COCO, and for video classification in Kinetics, showing that GN can effectively replace the powerful BN in a variety of tasks. GN can be easily implemented by a few lines of code in modern libraries.