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1. Neural Network Weights Do Not Converge to Stationary Points: An Invariant Measure Perspective

   Zhang, J. ; Li, H. ; Sra, S. ; Jadbabaie, A. ( January 2022 , Thirty-ninth International Conference on Machine Learning (ICML 2022))

   This work examines the deep disconnect between existing theoretical analyses of gradient-based algorithms and the practice of training deep neural networks. Specifically, we provide numerical evidence that in large-scale neural network training (e.g., ImageNet + ResNet101, and WT103 + TransformerXL models), the neural network’s weights do not converge to stationary points where the gradient of the loss is zero. Remarkably, however, we observe that even though the weights do not converge to stationary points, the progress in minimizing the loss function halts and training loss stabilizes. Inspired by this observation, we propose a new perspective based on ergodic theory of dynamical systems to explain it. Rather than studying the evolution of weights, we study the evolution of the distribution of weights. We prove convergence of the distribution of weights to an approximate invariant measure, thereby explaining how the training loss can stabilize without weights necessarily converging to stationary points. We further discuss how this perspective can better align optimization theory with empirical observations in machine learning practice. 

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2. Learning One-hidden-layer Neural Networks under General Input Distributions

   Gao, Weihao ; Makkuva, Ashok Vardhan ; Oh, Sewoong ; Viswanath, Pramod ( April 2019 , Proceedings of Machine Learning Research)

   Significant advances have been made recently on training neural networks, where the main challenge is in solving an optimization problem with abundant critical points. However, existing approaches to address this issue crucially rely on a restrictive assumption: the training data is drawn from a Gaussian distribution. In this paper, we provide a novel unified framework to design loss functions with desirable landscape properties for a wide range of general input distributions. On these loss functions, remarkably, stochastic gradient descent theoretically recovers the true parameters with global initializations and empirically outperforms the existing approaches. Our loss function design bridges the notion of score functions with the topic of neural network optimization. Central to our approach is the task of estimating the score function from samples, which is of basic and independent interest to theoretical statistics. Traditional estimation methods (example: kernel based) fail right at the outset; we bring statistical methods of local likelihood to design a novel estimator of score functions, that provably adapts to the local geometry of the unknown density. 

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3. ON FEATURE LEARNING IN NEURAL NETWORKS WITH GLOBAL CONVERGENCE GUARANTEES

   Zhengdao Chen ; Eric Vanden-Eijnden ; Joan Bruna ( May 2022 , international conference on learning representations (ICLR))

   We study the optimization of wide neural networks (NNs) via gradient flow (GF) in setups that allow feature learning while admitting non-asymptotic global convergence guarantees. First, for wide shallow NNs under the mean-field scaling and with a general class of activation functions, we prove that when the input dimension is no less than the size of the training set, the training loss converges to zero at a linear rate under GF. Building upon this analysis, we study a model of wide multi-layer NNs whose second-to-last layer is trained via GF, for which we also prove a linear-rate convergence of the training loss to zero, but regardless of the input dimension. We also show empirically that, unlike in the Neural Tangent Kernel (NTK) regime, our multi-layer model exhibits feature learning and can achieve better generalization performance than its NTK counterpart. 

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4. Understanding Edge-of-Stability Training Dynamics with a Minimalist Example

   Zhu, Xingyu ; Wang, Zixuan ; Wang, Xiang ; Zhou, Mo ; Ge, Rong ( January 2023 , International Conference on Learning Representations)

   Recently, researchers observed that gradient descent for deep neural networks operates in an “edge-of-stability” (EoS) regime: the sharpness (maximum eigenvalue of the Hessian) is often larger than stability threshold 2/\eta (where \eta is the step size). Despite this, the loss oscillates and converges in the long run, and the sharpness at the end is just slightly below 2/\eta . While many other well-understood nonconvex objectives such as matrix factorization or two-layer networks can also converge despite large sharpness, there is often a larger gap between sharpness of the endpoint and 2/\eta . In this paper, we study EoS phenomenon by constructing a simple function that has the same behavior. We give rigorous analysis for its training dynamics in a large local region and explain why the fnal converging point has sharpness close to 2/\eta . Globally we observe that the training dynamics for our example have an interesting bifurcating behavior, which was also observed in the training of neural nets. 

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5. Revisiting and Advancing Fast Adversarial Training Through the Lens of Bi-Level Optimization

   Yihua Zhang ; Guanhua Zhang ; Prashant Khanduri ; Mingyi Hong ; Shiyu Chang ; Sijia Liu ( July 2022 , international conference on machine learning)

   Adversarial training (AT) is a widely recognized defense mechanism to gain the robustness of deep neural networks against adversarial attacks. It is built on min-max optimization (MMO), where the minimizer (i.e., defender) seeks a robust model to minimize the worst-case training loss in the presence of adversarial examples crafted by the maximizer (i.e., attacker). However, the conventional MMO method makes AT hard to scale. Thus, FAST-AT (Wong et al., 2020) and other recent algorithms attempt to simplify MMO by replacing its maximization step with the single gradient sign-based attack generation step. Although easy to implement, FAST-AT lacks theoretical guarantees, and its empirical performance is unsatisfactory due to the issue of robust catastrophic overfitting when training with strong adversaries. In this paper, we advance FAST-AT from the fresh perspective of bi-level optimization (BLO). We first show that the commonly used FAST-AT is equivalent to using a stochastic gradient algorithm to solve a linearized BLO problem involving a sign operation. However, the discrete nature of the sign operation makes it difficult to understand the algorithm performance. Inspired by BLO, we design and analyze a new set of robust training algorithms termed Fast Bilevel AT (FAST-BAT), which effectively defends sign-based projected gradient descent (PGD) attacks without using any gradient sign method or explicit robust regularization. In practice, we show our method yields substantial robustness improvements over baselines across multiple models and datasets 

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