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The conventional wisdom behind learning deep classification models is to focus on bad-classified examples and ignore well-classified examples that are far from the decision boundary. For instance, when training with cross-entropy loss, examples with higher likelihoods (i.e., well-classified examples) contribute smaller gradients in back-propagation. However, we theoretically show that this common practice hinders representation learning, energy optimization, and the growth of margin. To counteract this deficiency, we propose to reward well-classified examples with additive bonuses to revive their contribution to learning. This counterexample theoretically addresses these three issues. We empirically support this claim by directly verify the theoretical results or through the significant performance improvement with our counterexample on diverse tasks, including image classification, graph classification, and machine translation. Furthermore, this paper shows that because our idea can solve these three issues, we can deal with complex scenarios, such as imbalanced classification, OOD detection, and applications under adversarial attacks.

Modern deep neural networks are highly over-parameterized compared to the data on which they are trained, yet they often generalize remarkably well. A flurry of recent work has asked: why do deep networks not overfit to their training data? In this work, we make a series of empirical observations that investigate the hypothesis that deeper networks are inductively biased to find solutions with lower rank embeddings. We conjecture that this bias exists because the volume of functions that maps to low-rank embedding increases with depth. We show empirically that our claim holds true on finite width linear and non-linear models and show that these are the solutions that generalize well. We then show that the low-rank simplicity bias exists even after training, using a wide variety of commonly used optimizers. We found this phenomenon to be resilient to initialization, hyper-parameters, and learning methods. We further demonstrate how linear over-parameterization of deep non-linear models can be used to induce low-rank bias, improving generalization performance without changing the effective model capacity. Practically, we demonstrate that simply linearly over-parameterizing standard models at training time can improve performance on image classification tasks, including ImageNet.

Implicit deep learning has received increasing attention recently due to the fact that it generalizes the recursive prediction rules of many commonly used neural network architectures. Its prediction rule is provided implicitly based on the solution of an equilibrium equation. Although a line of recent empirical studies has demonstrated its superior performances, the theoretical understanding of implicit neural networks is limited. In general, the equilibrium equation may not be well-posed during the training. As a result, there is no guarantee that a vanilla (stochastic) gradient descent (SGD) training nonlinear implicit neural networks can converge. This paper fills the gap by analyzing the gradient flow of Rectified Linear Unit (ReLU) activated implicit neural networks. For an $m$-width implicit neural network with ReLU activation and $n$ training samples, we show that a randomly initialized gradient descent converges to a global minimum at a linear rate for the square loss function if the implicit neural network is \textit{over-parameterized}. It is worth noting that, unlike existing works on the convergence of (S)GD on finite-layer over-parameterized neural networks, our convergence results hold for implicit neural networks, where the number of layers is \textit{infinite}.

Poisoning attacks on machine learning systems compromise the model performance by deliberately injecting malicious samples in the training dataset to influence the training process. Prior works focus on either availability attacks (i.e., lowering the overall model accuracy) or integrity attacks (i.e., enabling specific instance-based backdoor). In this paper, we advance the adversarial objectives of the availability attacks to a per-class basis, which we refer to as class-oriented poisoning attacks. We demonstrate that the proposed attack is capable of forcing the corrupted model to predict in two specific ways: (i) classify unseen new images to a targeted "supplanter" class, and (ii) misclassify images from a "victim" class while maintaining the classification accuracy on other non-victim classes. To maximize the adversarial effect as well as reduce the computational complexity of poisoned data generation, we propose a gradient-based framework that crafts poisoning images with carefully manipulated feature information for each scenario. Using newly defined metrics at the class level, we demonstrate the effectiveness of the proposed class-oriented poisoning attacks on various models (e.g., LeNet-5, Vgg-9, and ResNet-50) over a wide range of datasets (e.g., MNIST, CIFAR-10, and ImageNet-ILSVRC2012) in an end-to-end training setting.

Inspired by the conventional pooling layers in convolutional neural networks, many recent works in the field of graph machine learning have introduced pooling operators to reduce the size of graphs. The great variety in the literature stems from the many possible strategies for coarsening a graph, which may depend on different assumptions on the graph structure or the specific downstream task. In this paper we propose a formal characterization of graph pooling based on three main operations, called selection, reduction, and connection, with the goal of unifying the literature under a common framework. Following this formalization, we introduce a taxonomy of pooling operators and categorize more than thirty pooling methods proposed in recent literature. We propose criteria to evaluate the performance of a pooling operator and use them to investigate and contrast the behavior of different classes of the taxonomy on a variety of tasks.

Generalization is one of the fundamental issues in machine learning. However, traditional techniques like uniform convergence may be unable to explain generalization under overparameterization. As alternative approaches, techniques based on \emph{stability} analyze the training dynamics and drive algorithm-dependent generalization bounds. Unfortunately, the stability-based bounds are still far from explaining the surprising generalization in deep learning since neural networks usually suffer from unsatisfactory stability. This paper proposes a novel decomposition framework to improve the stability-based bounds via a more fine-grained analysis of the signal and noise, inspired by the observation that neural networks converge relatively slowly when fitting noise (which indicates better stability). Concretely, we decompose the excess risk dynamics and apply stability-based bound only on the noise component. The decomposition framework performs well in both linear regimes (overparameterized linear regression) and non-linear regimes (diagonal matrix recovery). Experiments on neural networks verify the utility of the decomposition framework.

In this paper, we study the non-asymptotic and asymptotic performances of the optimal robust policy and value function of robust Markov Decision Processes(MDPs), where the optimal robust policy and value function are solved only from a generative model. While prior work focusing on non-asymptotic performances of robust MDPs is restricted in the setting of the KL uncertainty set and $(s,a)$-rectangular assumption, we improve their results and also consider other uncertainty sets, including $L_1$ and $\chi^2$ balls. Our results show that when we assume $(s,a)$-rectangular on uncertainty sets, the sample complexity is about $\widetilde{O}\left(\frac{|\mathcal{S}|^2|\mathcal{A}|}{\varepsilon^2\rho^2(1-\gamma)^4}\right)$. In addition, we extend our results from $(s,a)$-rectangular assumption to $s$-rectangular assumption. In this scenario, the sample complexity varies with the choice of uncertainty sets and is generally larger than the case under $(s,a)$-rectangular assumption. Moreover, we also show that the optimal robust value function is asymptotic normal with a typical rate $\sqrt{n}$ under $(s,a)$ and $s$-rectangular assumptions from both theoretical and empirical perspectives.

One of the properties of interest in the analysis of networks is \emph{global communicability}, i.e., how easy or difficult it is, generally, to reach nodes from other nodes by following edges. Different global communicability measures provide quantitative assessments of this property, emphasizing different aspects of the problem. This paper investigates the sensitivity of global measures of communicability to local changes. In particular, for directed, weighted networks, we study how different global measures of communicability change when the weight of a single edge is changed; or, in the unweighted case, when an edge is added or removed. The measures we study include the \emph{total network communicability}, based on the matrix exponential of the adjacency matrix, and the \emph{Perron network communicability}, defined in terms of the Perron root of the adjacency matrix and the associated left and right eigenvectors. Finding what local changes lead to the largest changes in global communicability has many potential applications, including assessing the resilience of a system to failure or attack, guidance for incremental system improvements, and studying the sensitivity of global communicability measures to errors in the network connection data.

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.

We investigate how the final parameters found by stochastic gradient descent are influenced by over-parameterization. We generate families of models by increasing the number of channels in a base network, and then perform a large hyper-parameter search to study how the test error depends on learning rate, batch size, and network width. We find that the optimal SGD hyper-parameters are determined by a "normalized noise scale," which is a function of the batch size, learning rate, and initialization conditions. In the absence of batch normalization, the optimal normalized noise scale is directly proportional to width. Wider networks, with their higher optimal noise scale, also achieve higher test accuracy. These observations hold for MLPs, ConvNets, and ResNets, and for two different parameterization schemes ("Standard" and "NTK"). We observe a similar trend with batch normalization for ResNets. Surprisingly, since the largest stable learning rate is bounded, the largest batch size consistent with the optimal normalized noise scale decreases as the width increases.