Computational-Statistical Gaps in Gaussian Single-Index Models

Single-Index Models are high-dimensional regression problems with planted structure, whereby labels depend on an unknown one-dimensional projection of the input via a generic, non-linear, and potentially non-deterministic transformation. As such, they encompass a broad class of statistical inference tasks, and provide a rich template to study statistical and computational trade-offs in the high-dimensional regime. While the information-theoretic sample complexity to recover the hidden direction is linear in the dimension $d$, we show that computationally efficient algorithms, both within the Statistical Query (SQ) and the Low-Degree Polynomial (LDP) framework, necessarily require $\Omega(d^{k^\star/2})$ samples, where $k^\star$ is a "generative" exponent associated with the model that we explicitly characterize. Moreover, we show that this sample complexity is also sufficient, by establishing matching upper bounds using a partial-trace algorithm. Therefore, our results provide evidence of a sharp computational-to-statistical gap (under both the SQ and LDP class) whenever $k^\star>2$. To complete the study, we provide examples of smooth and Lipschitz deterministic target functions with arbitrarily large generative exponents $k^\star$.

The Computational Complexity of Learning Gaussian Single-Index Models

Single-Index Models are high-dimensional regression problems with planted structure, whereby labels depend on an unknown one-dimensional projection of the input via a generic, non-linear, and potentially non-deterministic transformation. As such, they encompass a broad class of statistical inference tasks, and provide a rich template to study statistical and computational trade-offs in the high-dimensional regime. While the information-theoretic sample complexity to recover the hidden direction is linear in the dimension $d$, we show that computationally efficient algorithms, both within the Statistical Query (SQ) and the Low-Degree Polynomial (LDP) framework, necessarily require $\Omega(d^{k^\star/2})$ samples, where $k^\star$ is a "generative" exponent associated with the model that we explicitly characterize. Moreover, we show that this sample complexity is also sufficient, by establishing matching upper bounds using a partial-trace algorithm. Therefore, our results provide evidence of a sharp computational-to-statistical gap (under both the SQ and LDP class) whenever $k^\star>2$. To complete the study, we provide examples of smooth and Lipschitz deterministic target functions with arbitrarily large generative exponents $k^\star$.

Stochastic Optimal Control Matching

Stochastic optimal control, which has the goal of driving the behavior of noisy systems, is broadly applicable in science, engineering and artificial intelligence. Our work introduces Stochastic Optimal Control Matching (SOCM), a novel Iterative Diffusion Optimization (IDO) technique for stochastic optimal control that stems from the same philosophy as the conditional score matching loss for diffusion models. That is, the control is learned via a least squares problem by trying to fit a matching vector field. The training loss, which is closely connected to the cross-entropy loss, is optimized with respect to both the control function and a family of reparameterization matrices which appear in the matching vector field. The optimization with respect to the reparameterization matrices aims at minimizing the variance of the matching vector field. Experimentally, our algorithm achieves lower error than all the existing IDO techniques for stochastic optimal control for four different control settings. The key idea underlying SOCM is the path-wise reparameterization trick, a novel technique that is of independent interest, e.g., for generative modeling.

On Learning Gaussian Multi-index Models with Gradient Flow

We study gradient flow on the multi-index regression problem for high-dimensional Gaussian data. Multi-index functions consist of a composition of an unknown low-rank linear projection and an arbitrary unknown, low-dimensional link function. As such, they constitute a natural template for feature learning in neural networks. We consider a two-timescale algorithm, whereby the low-dimensional link function is learnt with a non-parametric model infinitely faster than the subspace parametrizing the low-rank projection. By appropriately exploiting the matrix semigroup structure arising over the subspace correlation matrices, we establish global convergence of the resulting Grassmannian population gradient flow dynamics, and provide a quantitative description of its associated `saddle-to-saddle' dynamics. Notably, the timescales associated with each saddle can be explicitly characterized in terms of an appropriate Hermite decomposition of the target link function. In contrast with these positive results, we also show that the related \emph{planted} problem, where the link function is known and fixed, in fact has a rough optimization landscape, in which gradient flow dynamics might get trapped with high probability.

Symmetric Single Index Learning

Few neural architectures lend themselves to provable learning with gradient based methods. One popular model is the single-index model, in which labels are produced by composing an unknown linear projection with a possibly unknown scalar link function. Learning this model with SGD is relatively well-understood, whereby the so-called information exponent of the link function governs a polynomial sample complexity rate. However, extending this analysis to deeper or more complicated architectures remains challenging. In this work, we consider single index learning in the setting of symmetric neural networks. Under analytic assumptions on the activation and maximum degree assumptions on the link function, we prove that gradient flow recovers the hidden planted direction, represented as a finitely supported vector in the feature space of power sum polynomials. We characterize a notion of information exponent adapted to our setting that controls the efficiency of learning.

On Single Index Models beyond Gaussian Data

Sparse high-dimensional functions have arisen as a rich framework to study the behavior of gradient-descent methods using shallow neural networks, showcasing their ability to perform feature learning beyond linear models. Amongst those functions, the simplest are single-index models $f(x) = \phi( x \cdot \theta^*)$, where the labels are generated by an arbitrary non-linear scalar link function $\phi$ applied to an unknown one-dimensional projection $\theta^*$ of the input data. By focusing on Gaussian data, several recent works have built a remarkable picture, where the so-called information exponent (related to the regularity of the link function) controls the required sample complexity. In essence, these tools exploit the stability and spherical symmetry of Gaussian distributions. In this work, building from the framework of \cite{arous2020online}, we explore extensions of this picture beyond the Gaussian setting, where both stability or symmetry might be violated. Focusing on the planted setting where $\phi$ is known, our main results establish that Stochastic Gradient Descent can efficiently recover the unknown direction $\theta^*$ in the high-dimensional regime, under assumptions that extend previous works ~\cite{yehudai2020learning,wu2022learning}.

A Neural Collapse Perspective on Feature Evolution in Graph Neural Networks

Graph neural networks (GNNs) have become increasingly popular for classification tasks on graph-structured data. Yet, the interplay between graph topology and feature evolution in GNNs is not well understood. In this paper, we focus on node-wise classification, illustrated with community detection on stochastic block model graphs, and explore the feature evolution through the lens of the "Neural Collapse" (NC) phenomenon. When training instance-wise deep classifiers (e.g. for image classification) beyond the zero training error point, NC demonstrates a reduction in the deepest features' within-class variability and an increased alignment of their class means to certain symmetric structures. We start with an empirical study that shows that a decrease in within-class variability is also prevalent in the node-wise classification setting, however, not to the extent observed in the instance-wise case. Then, we theoretically study this distinction. Specifically, we show that even an "optimistic" mathematical model requires that the graphs obey a strict structural condition in order to possess a minimizer with exact collapse. Interestingly, this condition is viable also for heterophilic graphs and relates to recent empirical studies on settings with improved GNNs' generalization. Furthermore, by studying the gradient dynamics of the theoretical model, we provide reasoning for the partial collapse observed empirically. Finally, we present a study on the evolution of within- and between-class feature variability across layers of a well-trained GNN and contrast the behavior with spectral methods.

Conditionally Strongly Log-Concave Generative Models

There is a growing gap between the impressive results of deep image generative models and classical algorithms that offer theoretical guarantees. The former suffer from mode collapse or memorization issues, limiting their application to scientific data. The latter require restrictive assumptions such as log-concavity to escape the curse of dimensionality. We partially bridge this gap by introducing conditionally strongly log-concave (CSLC) models, which factorize the data distribution into a product of conditional probability distributions that are strongly log-concave. This factorization is obtained with orthogonal projectors adapted to the data distribution. It leads to efficient parameter estimation and sampling algorithms, with theoretical guarantees, although the data distribution is not globally log-concave. We show that several challenging multiscale processes are conditionally log-concave using wavelet packet orthogonal projectors. Numerical results are shown for physical fields such as the $\varphi^4$ model and weak lensing convergence maps with higher resolution than in previous works.

Inverse Dynamics Pretraining Learns Good Representations for Multitask Imitation

In recent years, domains such as natural language processing and image recognition have popularized the paradigm of using large datasets to pretrain representations that can be effectively transferred to downstream tasks. In this work we evaluate how such a paradigm should be done in imitation learning, where both pretraining and finetuning data are trajectories collected by experts interacting with an unknown environment. Namely, we consider a setting where the pretraining corpus consists of multitask demonstrations and the task for each demonstration is set by an unobserved latent context variable. The goal is to use the pretraining corpus to learn a low dimensional representation of the high dimensional (e.g., visual) observation space which can be transferred to a novel context for finetuning on a limited dataset of demonstrations. Among a variety of possible pretraining objectives, we argue that inverse dynamics modeling -- i.e., predicting an action given the observations appearing before and after it in the demonstration -- is well-suited to this setting. We provide empirical evidence of this claim through evaluations on a variety of simulated visuomotor manipulation problems. While previous work has attempted various theoretical explanations regarding the benefit of inverse dynamics modeling, we find that these arguments are insufficient to explain the empirical advantages often observed in our settings, and so we derive a novel analysis using a simple but general environment model.

Data-driven multiscale modeling of subgrid parameterizations in climate models

Subgrid parameterizations, which represent physical processes occurring below the resolution of current climate models, are an important component in producing accurate, long-term predictions for the climate. A variety of approaches have been tested to design these components, including deep learning methods. In this work, we evaluate a proof of concept illustrating a multiscale approach to this prediction problem. We train neural networks to predict subgrid forcing values on a testbed model and examine improvements in prediction accuracy that can be obtained by using additional information in both fine-to-coarse and coarse-to-fine directions.