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Robust NAS under adversarial training: benchmark, theory, and beyond
Mar 19, 2024
Recent developments in neural architecture search (NAS) emphasize the significance of considering robust architectures against malicious data. However, there is a notable absence of benchmark evaluations and theoretical guarantees for searching these robust architectures, especially when adversarial training is considered. In this work, we aim to address these two challenges, making twofold contributions. First, we release a comprehensive data set that encompasses both clean accuracy and robust accuracy for a vast array of adversarially trained networks from the NAS-Bench-201 search space on image datasets. Then, leveraging the neural tangent kernel (NTK) tool from deep learning theory, we establish a generalization theory for searching architecture in terms of clean accuracy and robust accuracy under multi-objective adversarial training. We firmly believe that our benchmark and theoretical insights will significantly benefit the NAS community through reliable reproducibility, efficient assessment, and theoretical foundation, particularly in the pursuit of robust architectures.
On the Convergence of Encoder-only Shallow Transformers
Nov 02, 2023In this paper, we aim to build the global convergence theory of encoder-only shallow Transformers under a realistic setting from the perspective of architectures, initialization, and scaling under a finite width regime. The difficulty lies in how to tackle the softmax in self-attention mechanism, the core ingredient of Transformer. In particular, we diagnose the scaling scheme, carefully tackle the input/output of softmax, and prove that quadratic overparameterization is sufficient for global convergence of our shallow Transformers under commonly-used He/LeCun initialization in practice. Besides, neural tangent kernel (NTK) based analysis is also given, which facilitates a comprehensive comparison. Our theory demonstrates the separation on the importance of different scaling schemes and initialization. We believe our results can pave the way for a better understanding of modern Transformers, particularly on training dynamics.
Maximum Independent Set: Self-Training through Dynamic Programming
Oct 28, 2023This work presents a graph neural network (GNN) framework for solving the maximum independent set (MIS) problem, inspired by dynamic programming (DP). Specifically, given a graph, we propose a DP-like recursive algorithm based on GNNs that firstly constructs two smaller sub-graphs, predicts the one with the larger MIS, and then uses it in the next recursive call. To train our algorithm, we require annotated comparisons of different graphs concerning their MIS size. Annotating the comparisons with the output of our algorithm leads to a self-training process that results in more accurate self-annotation of the comparisons and vice versa. We provide numerical evidence showing the superiority of our method vs prior methods in multiple synthetic and real-world datasets.
Benign Overfitting in Deep Neural Networks under Lazy Training
May 30, 2023
This paper focuses on over-parameterized deep neural networks (DNNs) with ReLU activation functions and proves that when the data distribution is well-separated, DNNs can achieve Bayes-optimal test error for classification while obtaining (nearly) zero-training error under the lazy training regime. For this purpose, we unify three interrelated concepts of overparameterization, benign overfitting, and the Lipschitz constant of DNNs. Our results indicate that interpolating with smoother functions leads to better generalization. Furthermore, we investigate the special case where interpolating smooth ground-truth functions is performed by DNNs under the Neural Tangent Kernel (NTK) regime for generalization. Our result demonstrates that the generalization error converges to a constant order that only depends on label noise and initialization noise, which theoretically verifies benign overfitting. Our analysis provides a tight lower bound on the normalized margin under non-smooth activation functions, as well as the minimum eigenvalue of NTK under high-dimensional settings, which has its own interest in learning theory.
Regularization of polynomial networks for image recognition
Mar 24, 2023
Deep Neural Networks (DNNs) have obtained impressive performance across tasks, however they still remain as black boxes, e.g., hard to theoretically analyze. At the same time, Polynomial Networks (PNs) have emerged as an alternative method with a promising performance and improved interpretability but have yet to reach the performance of the powerful DNN baselines. In this work, we aim to close this performance gap. We introduce a class of PNs, which are able to reach the performance of ResNet across a range of six benchmarks. We demonstrate that strong regularization is critical and conduct an extensive study of the exact regularization schemes required to match performance. To further motivate the regularization schemes, we introduce D-PolyNets that achieve a higher-degree of expansion than previously proposed polynomial networks. D-PolyNets are more parameter-efficient while achieving a similar performance as other polynomial networks. We expect that our new models can lead to an understanding of the role of elementwise activation functions (which are no longer required for training PNs). The source code is available at https://github.com/grigorisg9gr/regularized_polynomials.
Extrapolation and Spectral Bias of Neural Nets with Hadamard Product: a Polynomial Net Study
Sep 16, 2022
Neural tangent kernel (NTK) is a powerful tool to analyze training dynamics of neural networks and their generalization bounds. The study on NTK has been devoted to typical neural network architectures, but is incomplete for neural networks with Hadamard products (NNs-Hp), e.g., StyleGAN and polynomial neural networks. In this work, we derive the finite-width NTK formulation for a special class of NNs-Hp, i.e., polynomial neural networks. We prove their equivalence to the kernel regression predictor with the associated NTK, which expands the application scope of NTK. Based on our results, we elucidate the separation of PNNs over standard neural networks with respect to extrapolation and spectral bias. Our two key insights are that when compared to standard neural networks, PNNs are able to fit more complicated functions in the extrapolation regime and admit a slower eigenvalue decay of the respective NTK. Besides, our theoretical results can be extended to other types of NNs-Hp, which expand the scope of our work. Our empirical results validate the separations in broader classes of NNs-Hp, which provide a good justification for a deeper understanding of neural architectures.
Robustness in deep learning: The good (width), the bad (depth), and the ugly (initialization)
Sep 15, 2022
We study the average robustness notion in deep neural networks in (selected) wide and narrow, deep and shallow, as well as lazy and non-lazy training settings. We prove that in the under-parameterized setting, width has a negative effect while it improves robustness in the over-parameterized setting. The effect of depth closely depends on the initialization and the training mode. In particular, when initialized with LeCun initialization, depth helps robustness with lazy training regime. In contrast, when initialized with Neural Tangent Kernel (NTK) and He-initialization, depth hurts the robustness. Moreover, under non-lazy training regime, we demonstrate how the width of a two-layer ReLU network benefits robustness. Our theoretical developments improve the results by Huang et al. [2021], Wu et al. [2021] and are consistent with Bubeck and Sellke [2021], Bubeck et al. [2021].
Generalization Properties of NAS under Activation and Skip Connection Search
Sep 15, 2022
Neural Architecture Search (NAS) has fostered the automatic discovery of neural architectures, which achieve state-of-the-art accuracy in image recognition. Despite the progress achieved with NAS, so far there is little attention to theoretical guarantees on NAS. In this work, we study the generalization properties of NAS under a unifying framework enabling (deep) layer skip connection search and activation function search. To this end, we derive the lower (and upper) bounds of the minimum eigenvalue of Neural Tangent Kernel under the (in)finite width regime from a search space including mixed activation functions, fully connected, and residual neural networks. Our analysis is non-trivial due to the coupling of various architectures and activation functions under the unifying framework. Then, we leverage the eigenvalue bounds to establish generalization error bounds of NAS in the stochastic gradient descent training. Importantly, we theoretically and experimentally show how the derived results can guide NAS to select the top-performing architectures, even in the case without training, leading to a training-free algorithm based on our theory. Accordingly, our numerical validation shed light on the design of computationally efficient methods for NAS.
Sound and Complete Verification of Polynomial Networks
Sep 15, 2022
Polynomial Networks (PNs) have demonstrated promising performance on face and image recognition recently. However, robustness of PNs is unclear and thus obtaining certificates becomes imperative for enabling their adoption in real-world applications. Existing verification algorithms on ReLU neural networks (NNs) based on branch and bound (BaB) techniques cannot be trivially applied to PN verification. In this work, we devise a new bounding method, equipped with BaB for global convergence guarantees, called VPN. One key insight is that we obtain much tighter bounds than the interval bound propagation baseline. This enables sound and complete PN verification with empirical validation on MNIST, CIFAR10 and STL10 datasets. We believe our method has its own interest to NN verification.
Adversarial Audio Synthesis with Complex-valued Polynomial Networks
Jun 21, 2022
Time-frequency (TF) representations in audio synthesis have been increasingly modeled with real-valued networks. However, overlooking the complex-valued nature of TF representations can result in suboptimal performance and require additional modules (e.g., for modeling the phase). To this end, we introduce complex-valued polynomial networks, called APOLLO, that integrate such complex-valued representations in a natural way. Concretely, APOLLO captures high-order correlations of the input elements using high-order tensors as scaling parameters. By leveraging standard tensor decompositions, we derive different architectures and enable modeling richer correlations. We outline such architectures and showcase their performance in audio generation across four benchmarks. As a highlight, APOLLO results in $17.5\%$ improvement over adversarial methods and $8.2\%$ over the state-of-the-art diffusion models on SC09 dataset in audio generation. Our models can encourage the systematic design of other efficient architectures on the complex field.