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Benign Overfitting in Multiclass Classification: All Roads Lead to Interpolation

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 Added by Ke Wang
 Publication date 2021
and research's language is English




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The growing literature on benign overfitting in overparameterized models has been mostly restricted to regression or binary classification settings; however, most success stories of modern machine learning have been recorded in multiclass settings. Motivated by this discrepancy, we study benign overfitting in multiclass linear classification. Specifically, we consider the following popular training algorithms on separable data: (i) empirical risk minimization (ERM) with cross-entropy loss, which converges to the multiclass support vector machine (SVM) solution; (ii) ERM with least-squares loss, which converges to the min-norm interpolating (MNI) solution; and, (iii) the one-vs-all SVM classifier. First, we provide a simple sufficient condition under which all three algorithms lead to classifiers that interpolate the training data and have equal accuracy. When the data is generated from Gaussian mixtures or a multinomial logistic model, this condition holds under high enough effective overparameterization. Second, we derive novel error bounds on the accuracy of the MNI classifier, thereby showing that all three training algorithms lead to benign overfitting under sufficient overparameterization. Ultimately, our analysis shows that good generalization is possible for SVM solutions beyond the realm in which typical margin-based bounds apply.



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Modern machine learning often operates in the regime where the number of parameters is much higher than the number of data points, with zero training loss and yet good generalization, thereby contradicting the classical bias-variance trade-off. This textit{benign overfitting} phenomenon has recently been characterized using so called textit{double descent} curves where the risk undergoes another descent (in addition to the classical U-shaped learning curve when the number of parameters is small) as we increase the number of parameters beyond a certain threshold. In this paper, we examine the conditions under which textit{Benign Overfitting} occurs in the random feature (RF) models, i.e. in a two-layer neural network with fixed first layer weights. We adopt a new view of random feature and show that textit{benign overfitting} arises due to the noise which resides in such features (the noise may already be present in the data and propagate to the features or it may be added by the user to the features directly) and plays an important implicit regularization role in the phenomenon.
Deep neural networks generalize well despite being exceedingly overparameterized and being trained without explicit regularization. This curious phenomenon has inspired extensive research activity in establishing its statistical principles: Under what conditions is it observed? How do these depend on the data and on the training algorithm? When does regularization benefit generalization? While such questions remain wide open for deep neural nets, recent works have attempted gaining insights by studying simpler, often linear, models. Our paper contributes to this growing line of work by examining binary linear classification under a generative Gaussian mixture model. Motivated by recent results on the implicit bias of gradient descent, we study both max-margin SVM classifiers (corresponding to logistic loss) and min-norm interpolating classifiers (corresponding to least-squares loss). First, we leverage an idea introduced in [V. Muthukumar et al., arXiv:2005.08054, (2020)] to relate the SVM solution to the min-norm interpolating solution. Second, we derive novel non-asymptotic bounds on the classification error of the latter. Combining the two, we present novel sufficient conditions on the covariance spectrum and on the signal-to-noise ratio (SNR) under which interpolating estimators achieve asymptotically optimal performance as overparameterization increases. Interestingly, our results extend to a noisy model with constant probability noise flips. Contrary to previously studied discriminative data models, our results emphasize the crucial role of the SNR and its interplay with the data covariance. Finally, via a combination of analytical arguments and numerical demonstrations we identify conditions under which the interpolating estimator performs better than corresponding regularized estimates.
The bias-variance trade-off is a central concept in supervised learning. In classical statistics, increasing the complexity of a model (e.g., number of parameters) reduces bias but also increases variance. Until recently, it was commonly believed that optimal performance is achieved at intermediate model complexities which strike a balance between bias and variance. Modern Deep Learning methods flout this dogma, achieving state-of-the-art performance using over-parameterized models where the number of fit parameters is large enough to perfectly fit the training data. As a result, understanding bias and variance in over-parameterized models has emerged as a fundamental problem in machine learning. Here, we use methods from statistical physics to derive analytic expressions for bias and variance in two minimal models of over-parameterization (linear regression and two-layer neural networks with nonlinear data distributions), allowing us to disentangle properties stemming from the model architecture and random sampling of data. In both models, increasing the number of fit parameters leads to a phase transition where the training error goes to zero and the test error diverges as a result of the variance (while the bias remains finite). Beyond this threshold in the interpolation regime, the training error remains zero while the test error decreases. We also show that in contrast with classical intuition, over-parameterized models can overfit even in the absence of noise and exhibit bias even if the student and teacher models match. We synthesize these results to construct a holistic understanding of generalization error and the bias-variance trade-off in over-parameterized models and relate our results to random matrix theory.
We consider interpolation learning in high-dimensional linear regression with Gaussian data, and prove a generic uniform convergence guarantee on the generalization error of interpolators in an arbitrary hypothesis class in terms of the classs Gaussian width. Applying the generic bound to Euclidean norm balls recovers the consistency result of Bartlett et al. (2020) for minimum-norm interpolators, and confirms a prediction of Zhou et al. (2020) for near-minimal-norm interpolators in the special case of Gaussian data. We demonstrate the generality of the bound by applying it to the simplex, obtaining a novel consistency result for minimum l1-norm interpolators (basis pursuit). Our results show how norm-based generalization bounds can explain and be used to analyze benign overfitting, at least in some settings.
Back-translation provides a simple yet effective approach to exploit monolingual corpora in Neural Machine Translation (NMT). Its iterative variant, where two opposite NMT models are jointly trained by alternately using a synthetic parallel corpus generated by the reverse model, plays a central role in unsupervised machine translation. In order to start producing sound translations and provide a meaningful training signal to each other, existing approaches rely on either a separate machine translation system to warm up the iterative procedure, or some form of pre-training to initialize the weights of the model. In this paper, we analyze the role that such initialization plays in iterative back-translation. Is the behavior of the final system heavily dependent on it? Or does iterative back-translation converge to a similar solution given any reasonable initialization? Through a series of empirical experiments over a diverse set of warmup systems, we show that, although the quality of the initial system does affect final performance, its effect is relatively small, as iterative back-translation has a strong tendency to convergence to a similar solution. As such, the margin of improvement left for the initialization method is narrow, suggesting that future research should focus more on improving the iterative mechanism itself.

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