More Like this

1. On the generalization of learning algorithms that do not converge.

   N. Chandramoorthy, A. Loukas (November 2022, Neural Information Processing Systems (NeurIPS))

   Generalization analyses of deep learning typically assume that the training converges to a fixed point. But, recent results indicate that in practice, the weights of deep neural networks optimized with stochastic gradient descent often oscillate indefinitely. To reduce this discrepancy between theory and practice, this paper focuses on the generalization of neural networks whose training dynamics do not necessarily converge to fixed points. Our main contribution is to propose a notion of statistical algorithmic stability (SAS) that extends classical algorithmic stability to non-convergent algorithms and to study its connection to generalization. This ergodic-theoretic approach leads to new insights when compared to the traditional optimization and learning theory perspectives. We prove that the stability of the time-asymptotic behavior of a learning algorithm relates to its generalization and empirically demonstrate how loss dynamics can provide clues to generalization performance. Our findings provide evidence that networks that “train stably generalize better” even when the training continues indefinitely and the weights do not converge. 

   more » « less
2. Learning Fixed Points of Recurrent Neural Networks by Reparameterizing the Network Model

   https://doi.org/10.1162/neco_a_01681  

   Zhu, Vicky; Rosenbaum, Robert (July 2024, Neural Computation)

   In computational neuroscience, recurrent neural networks are widely used to model neural activity and learning. In many studies, fixed points of recurrent neural networks are used to model neural responses to static or slowly changing stimuli, such as visual cortical responses to static visual stimuli. These applications raise the question of how to train the weights in a recurrent neural network to minimize a loss function evaluated on fixed points. In parallel, training fixed points is a central topic in the study of deep equilibrium models in machine learning. A natural approach is to use gradient descent on the Euclidean space of weights. We show that this approach can lead to poor learning performance due in part to singularities that arise in the loss surface. We use a reparameterization of the recurrent network model to derive two alternative learning rules that produce more robust learning dynamics. We demonstrate that these learning rules avoid singularities and learn more effectively than standard gradient descent. The new learning rules can be interpreted as steepest descent and gradient descent, respectively, under a non-Euclidean metric on the space of recurrent weights. Our results question the common, implicit assumption that learning in the brain should be expected to follow the negative Euclidean gradient of synaptic weights. 

   more » « less
3. How neural networks extrapolate: from feedforward to graph neural networks

   Xu, Keyulu; Zhang, Mozhi; Li, Jingling; Du, Simon S.; Kawarabayashi, Ken-ichi; Jegelka, Stefanie (January 2021, International Conference on Learning Representations (ICLR))

   null (Ed.)

   We study how neural networks trained by gradient descent extrapolate, i.e., what they learn outside the support of the training distribution. Previous works report mixed empirical results when extrapolating with neural networks: while feedforward neural networks, a.k.a. multilayer perceptrons (MLPs), do not extrapolate well in certain simple tasks, Graph Neural Networks (GNNs) – structured networks with MLP modules – have shown some success in more complex tasks. Working towards a theoretical explanation, we identify conditions under which MLPs and GNNs extrapolate well. First, we quantify the observation that ReLU MLPs quickly converge to linear functions along any direction from the origin, which implies that ReLU MLPs do not extrapolate most nonlinear functions. But, they can provably learn a linear target function when the training distribution is sufficiently “diverse”. Second, in connection to analyzing the successes and limitations of GNNs, these results suggest a hypothesis for which we provide theoretical and empirical evidence: the success of GNNs in extrapolating algorithmic tasks to new data (e.g., larger graphs or edge weights) relies on encoding task-specific non-linearities in the architecture or features. Our theoretical analysis builds on a connection of over-parameterized networks to the neural tangent kernel. Empirically, our theory holds across different training settings. 

   more » « less
4. How Neural Networks Extrapolate: From Feedforward to Graph Neural Networks

   Xu, K.; Zhang, M; Li, J; Du, S.; Kawarabayashi, K; Jegelka, S. (January 2021, International Conference on Learning Representations (ICLR))

   We study how neural networks trained by gradient descent extrapolate, i.e., what they learn outside the support of the training distribution. Previous works report mixed empirical results when extrapolating with neural networks: while feedforward neural networks, a.k.a. multilayer perceptrons (MLPs), do not extrapolate well in certain simple tasks, Graph Neural Networks (GNNs) – structured networks with MLP modules – have shown some success in more complex tasks. Working towards a theoretical explanation, we identify conditions under which MLPs and GNNs extrapolate well. First, we quantify the observation that ReLU MLPs quickly converge to linear functions along any direction from the origin, which implies that ReLU MLPs do not extrapolate most nonlinear functions. But, they can provably learn a linear target function when the training distribution is sufficiently “diverse”. Second, in connection to analyzing the successes and limitations of GNNs, these results suggest a hypothesis for which we provide theoretical and empirical evidence: the success of GNNs in extrapolating algorithmic tasks to new data (e.g., larger graphs or edge weights) relies on encoding task-specific non-linearities in the architecture or features. Our theoretical analysis builds on a connection of over-parameterized networks to the neural tangent kernel. Empirically, our theory holds across different training settings. 

   more » « less
5. The Limit Points of (Optimistic) Gradient Descent in Min-Max Optimization

   Daskalakis, Constantinos; Panageas, Ioannis (January 2018, 32nd Annual Conference on Neural Information Processing Systems (NIPS))

   Motivated by applications in Optimization, Game Theory, and the training of Generative Adversarial Networks, the convergence properties of first order methods in min-max problems have received extensive study. It has been recognized that they may cycle, and there is no good understanding of their limit points when they do not. When they converge, do they converge to local min-max solutions? We characterize the limit points of two basic first order methods, namely Gradient Descent/Ascent (GDA) and Optimistic Gradient Descent Ascent (OGDA). We show that both dynamics avoid unstable critical points for almost all initializations. Moreover, for small step sizes and under mild assumptions, the set of \{OGDA\}-stable critical points is a superset of \{GDA\}-stable critical points, which is a superset of local min-max solutions (strict in some cases). The connecting thread is that the behavior of these dynamics can be studied from a dynamical systems perspective. 

   more » « less