On the Sample Complexity of Learning with Geometric Stability

Many supervised learning problems involve high-dimensional data such as images, text, or graphs. In order to make efficient use of data, it is often useful to leverage certain geometric priors in the problem at hand, such as invariance to translations, permutation subgroups, or stability to small deformations. We study the sample complexity of learning problems where the target function presents such invariance and stability properties, by considering spherical harmonic decompositions of such functions on the sphere. We provide non-parametric rates of convergence for kernel methods, and show improvements in sample complexity by a factor equal to the size of the group when using an invariant kernel over the group, compared to the corresponding non-invariant kernel. These improvements are valid when the sample size is large enough, with an asymptotic behavior that depends on spectral properties of the group. Finally, these gains are extended beyond invariance groups to also cover geometric stability to small deformations, modeled here as subsets (not necessarily subgroups) of permutations.

On Energy-Based Models with Overparametrized Shallow Neural Networks

Energy-based models (EBMs) are a simple yet powerful framework for generative modeling. They are based on a trainable energy function which defines an associated Gibbs measure, and they can be trained and sampled from via well-established statistical tools, such as MCMC. Neural networks may be used as energy function approximators, providing both a rich class of expressive models as well as a flexible device to incorporate data structure. In this work we focus on shallow neural networks. Building from the incipient theory of overparametrized neural networks, we show that models trained in the so-called "active" regime provide a statistical advantage over their associated "lazy" or kernel regime, leading to improved adaptivity to hidden low-dimensional structure in the data distribution, as already observed in supervised learning. Our study covers both maximum likelihood and Stein Discrepancy estimators, and we validate our theoretical results with numerical experiments on synthetic data.

Geometric Deep Learning: Grids, Groups, Graphs, Geodesics, and Gauges

The last decade has witnessed an experimental revolution in data science and machine learning, epitomised by deep learning methods. Indeed, many high-dimensional learning tasks previously thought to be beyond reach -- such as computer vision, playing Go, or protein folding -- are in fact feasible with appropriate computational scale. Remarkably, the essence of deep learning is built from two simple algorithmic principles: first, the notion of representation or feature learning, whereby adapted, often hierarchical, features capture the appropriate notion of regularity for each task, and second, learning by local gradient-descent type methods, typically implemented as backpropagation. While learning generic functions in high dimensions is a cursed estimation problem, most tasks of interest are not generic, and come with essential pre-defined regularities arising from the underlying low-dimensionality and structure of the physical world. This text is concerned with exposing these regularities through unified geometric principles that can be applied throughout a wide spectrum of applications. Such a 'geometric unification' endeavour, in the spirit of Felix Klein's Erlangen Program, serves a dual purpose: on one hand, it provides a common mathematical framework to study the most successful neural network architectures, such as CNNs, RNNs, GNNs, and Transformers. On the other hand, it gives a constructive procedure to incorporate prior physical knowledge into neural architectures and provide principled way to build future architectures yet to be invented.

Symmetry Breaking in Symmetric Tensor Decomposition

In this note, we consider the optimization problem associated with computing the rank decomposition of a symmetric tensor. We show that, in a well-defined sense, minima in this highly nonconvex optimization problem break the symmetry of the target tensor -- but not too much. This phenomenon of symmetry breaking applies to various choices of tensor norms, and makes it possible to study the optimization landscape using a set of recently-developed symmetry-based analytical tools. The fact that the objective function under consideration is a multivariate polynomial allows us to apply symbolic methods from computational algebra to obtain more refined information on the symmetry breaking phenomenon.

Depth separation beyond radial functions

High-dimensional depth separation results for neural networks show that certain functions can be efficiently approximated by two-hidden-layer networks but not by one-hidden-layer ones in high-dimensions $d$. Existing results of this type mainly focus on functions with an underlying radial or one-dimensional structure, which are usually not encountered in practice. The first contribution of this paper is to extend such results to a more general class of functions, namely functions with piece-wise oscillatory structure, by building on the proof strategy of (Eldan and Shamir, 2016). We complement these results by showing that, if the domain radius and the rate of oscillation of the objective function are constant, then approximation by one-hidden-layer networks holds at a $\mathrm{poly}(d)$ rate for any fixed error threshold. A common theme in the proof of such results is the fact that one-hidden-layer networks fail to approximate high-energy functions whose Fourier representation is spread in the domain. On the other hand, existing approximation results of a function by one-hidden-layer neural networks rely on the function having a sparse Fourier representation. The choice of the domain also represents a source of gaps between upper and lower approximation bounds. Focusing on a fixed approximation domain, namely the sphere $\mathbb{S}^{d-1}$ in dimension $d$, we provide a characterization of both functions which are efficiently approximable by one-hidden-layer networks and of functions which are provably not, in terms of their Fourier expansion.

Self-Supervised Equivariant Scene Synthesis from Video

We propose a self-supervised framework to learn scene representations from video that are automatically delineated into background, characters, and their animations. Our method capitalizes on moving characters being equivariant with respect to their transformation across frames and the background being constant with respect to that same transformation. After training, we can manipulate image encodings in real time to create unseen combinations of the delineated components. As far as we know, we are the first method to perform unsupervised extraction and synthesis of interpretable background, character, and animation. We demonstrate results on three datasets: Moving MNIST with backgrounds, 2D video game sprites, and Fashion Modeling.

Learned Equivariant Rendering without Transformation Supervision

We propose a self-supervised framework to learn scene representations from video that are automatically delineated into objects and background. Our method relies on moving objects being equivariant with respect to their transformation across frames and the background being constant. After training, we can manipulate and render the scenes in real time to create unseen combinations of objects, transformations, and backgrounds. We show results on moving MNIST with backgrounds.

On Graph Neural Networks versus Graph-Augmented MLPs

From the perspective of expressive power, this work compares multi-layer Graph Neural Networks (GNNs) with a simplified alternative that we call Graph-Augmented Multi-Layer Perceptrons (GA-MLPs), which first augments node features with certain multi-hop operators on the graph and then applies an MLP in a node-wise fashion. From the perspective of graph isomorphism testing, we show both theoretically and numerically that GA-MLPs with suitable operators can distinguish almost all non-isomorphic graphs, just like the Weifeiler-Lehman (WL) test. However, by viewing them as node-level functions and examining the equivalence classes they induce on rooted graphs, we prove a separation in expressive power between GA-MLPs and GNNs that grows exponentially in depth. In particular, unlike GNNs, GA-MLPs are unable to count the number of attributed walks. We also demonstrate via community detection experiments that GA-MLPs can be limited by their choice of operator family, as compared to GNNs with higher flexibility in learning.

Kernel-Based Smoothness Analysis of Residual Networks

A major factor in the success of deep neural networks is the use of sophisticated architectures rather than the classical multilayer perceptron (MLP). Residual networks (ResNets) stand out among these powerful modern architectures. Previous works focused on the optimization advantages of deep ResNets over deep MLPs. In this paper, we show another distinction between the two models, namely, a tendency of ResNets to promote smoother interpolations than MLPs. We analyze this phenomenon via the neural tangent kernel (NTK) approach. First, we compute the NTK for a considered ResNet model and prove its stability during gradient descent training. Then, we show by various evaluation methodologies that the NTK of ResNet, and its kernel regression results, are smoother than the ones of MLP. The better smoothness observed in our analysis may explain the better generalization ability of ResNets and the practice of moderately attenuating the residual blocks.

A Dynamical Central Limit Theorem for Shallow Neural Networks

Recent theoretical work has characterized the dynamics of wide shallow neural networks trained via gradient descent in an asymptotic regime called the mean-field limit as the number of parameters tends towards infinity. At initialization, the randomly sampled parameters lead to a deviation from the mean-field limit that is dictated by the classical Central Limit Theorem (CLT). However, the dynamics of training introduces correlations among the parameters, raising the question of how the fluctuations evolve during training. Here, we analyze the mean-field dynamics as a Wasserstein gradient flow and prove that the deviations from the mean-field limit scaled by the width, in the width-asymptotic limit, remain bounded throughout training. In particular, they eventually vanish in the CLT scaling if the mean-field dynamics converges to a measure that interpolates the training data. This observation has implications for both the approximation rate and the generalization: the upper bound we obtain is given by a Monte-Carlo type resampling error, which does not depend explicitly on the dimension. This bound motivates a regularizaton term on the 2-norm of the underlying measure, which is also connected to generalization via the variation-norm function spaces.