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Register a new userShaping the learning landscape in neural networks around wide flat minima
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Learning in Deep Neural Networks (DNN) takes place by minimizing a non-convex high-dimensional loss function, typically by a stochastic gradient descent (SGD) strategy. The learning process is observed to be able to find good minimizers without getting stuck in local critical points, and that such minimizers are often satisfactory at avoiding overfitting. How these two features can be kept under control in nonlinear devices composed of millions of tunable connections is a profound and far reaching open question. In this paper we study basic non-convex one- and two-layer neural network models which learn random patterns, and derive a number of basic geometrical and algorithmic features which suggest some answers. We first show that the error loss function presents few extremely wide flat minima (WFM) which coexist with narrower minima and critical points. We then show that the minimizers of the cross-entropy loss function overlap with the WFM of the error loss. We also show examples of learning devices for which WFM do not exist. From the algorithmic perspective we derive entropy driven greedy and message passing algorithms which focus their search on wide flat regions of minimizers. In the case of SGD and cross-entropy loss, we show that a slow reduction of the norm of the weights along the learning process also leads to WFM. We corroborate the results by a numerical study of the correlations between the volumes of the minimizers, their Hessian and their generalization performance on real data.
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The properties of flat minima in the empirical risk landscape of neural networks have been debated for some time. Increasing evidence suggests they possess better generalization capabilities with respect to sharp ones. First, we discuss Gaussian mixture classification models and show analytically that there exist Bayes optimal pointwise estimators which correspond to minimizers belonging to wide flat regions. These estimators can be found by applying maximum flatness algorithms either directly on the classifier (which is norm independent) or on the differentiable loss function used in learning. Next, we extend the analysis to the deep learning scenario by extensive numerical validations. Using two algorithms, Entropy-SGD and Replicated-SGD, that explicitly include in the optimization objective a non-local flatness measure known as local entropy, we consistently improve the generalization error for common architectures (e.g. ResNet, EfficientNet). An easy to compute flatness measure shows a clear correlation with test accuracy.
We analyze the connection between minimizers with good generalizing properties and high local entropy regions of a threshold-linear classifier in Gaussian mixtures with the mean squared error loss function. We show that there exist configurations that achieve the Bayes-optimal generalization error, even in the case of unbalanced clusters. We explore analytically the error-counting loss landscape in the vicinity of a Bayes-optimal solution, and show that the closer we get to such configurations, the higher the local entropy, implying that the Bayes-optimal solution lays inside a wide flat region. We also consider the algorithmically relevant case of targeting wide flat minima of the (differentiable) mean squared error loss. Our analytical and numerical results show not only that in the balanced case the dependence on the norm of the weights is mild, but also, in the unbalanced case, that the performances can be improved.
The success of deep learning has revealed the application potential of neural networks across the sciences and opened up fundamental theoretical problems. In particular, the fact that learning algorithms based on simple variants of gradient methods are able to find near-optimal minima of highly nonconvex loss functions is an unexpected feature of neural networks which needs to be understood in depth. Such algorithms are able to fit the data almost perfectly, even in the presence of noise, and yet they have excellent predictive capabilities. Several empirical results have shown a reproducible correlation between the so-called flatness of the minima achieved by the algorithms and the generalization performance. At the same time, statistical physics results have shown that in nonconvex networks a multitude of narrow minima may coexist with a much smaller number of wide flat minima, which generalize well. Here we show that wide flat minima arise from the coalescence of minima that correspond to high-margin classifications. Despite being exponentially rare compared to zero-margin solutions, high-margin minima tend to concentrate in particular regions. These minima are in turn surrounded by other solutions of smaller and smaller margin, leading to dense regions of solutions over long distances. Our analysis also provides an alternative analytical method for estimating when flat minima appear and when algorithms begin to find solutions, as the number of model parameters varies.
As its width tends to infinity, a deep neural networks behavior under gradient descent can become simplified and predictable (e.g. given by the Neural Tangent Kernel (NTK)), if it is parametrized appropriately (e.g. the NTK parametrization). However, we show that the standard and NTK parametrizations of a neural network do not admit infinite-width limits that can learn features, which is crucial for pretraining and transfer learning such as with BERT. We propose simple modifications to the standard parametrization to allow for feature learning in the limit. Using the *Tensor Programs* technique, we derive explicit formulas for such limits. On Word2Vec and few-shot learning on Omniglot via MAML, two canonical tasks that rely crucially on feature learning, we compute these limits exactly. We find that they outperform both NTK baselines and finite-width networks, with the latter approaching the infinite-width feature learning performance as width increases. More generally, we classify a natural space of neural network parametrizations that generalizes standard, NTK, and Mean Field parametrizations. We show 1) any parametrization in this space either admits feature learning or has an infinite-width training dynamics given by kernel gradient descent, but not both; 2) any such infinite-width limit can be computed using the Tensor Programs technique. Code for our experiments can be found at github.com/edwardjhu/TP4.
One of the major concerns for neural network training is that the non-convexity of the associated loss functions may cause bad landscape. The recent success of neural networks suggests that their loss landscape is not too bad, but what specific results do we know about the landscape? In this article, we review recent findings and results on the global landscape of neural networks. First, we point out that wide neural nets may have sub-optimal local minima under certain assumptions. Second, we discuss a few rigorous results on the geometric properties of wide networks such as no bad basin, and some modifications that eliminate sub-optimal local minima and/or decreasing paths to infinity. Third, we discuss visualization and empirical explorations of the landscape for practical neural nets. Finally, we briefly discuss some convergence results and their relation to landscape results.
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