Approximation-Generalization Trade-offs under (Approximate) Group Equivariance

The explicit incorporation of task-specific inductive biases through symmetry has emerged as a general design precept in the development of high-performance machine learning models. For example, group equivariant neural networks have demonstrated impressive performance across various domains and applications such as protein and drug design. A prevalent intuition about such models is that the integration of relevant symmetry results in enhanced generalization. Moreover, it is posited that when the data and/or the model may only exhibit $\textit{approximate}$ or $\textit{partial}$ symmetry, the optimal or best-performing model is one where the model symmetry aligns with the data symmetry. In this paper, we conduct a formal unified investigation of these intuitions. To begin, we present general quantitative bounds that demonstrate how models capturing task-specific symmetries lead to improved generalization. In fact, our results do not require the transformations to be finite or even form a group and can work with partial or approximate equivariance. Utilizing this quantification, we examine the more general question of model mis-specification i.e. when the model symmetries don't align with the data symmetries. We establish, for a given symmetry group, a quantitative comparison between the approximate/partial equivariance of the model and that of the data distribution, precisely connecting model equivariance error and data equivariance error. Our result delineates conditions under which the model equivariance error is optimal, thereby yielding the best-performing model for the given task and data

Probabilistic symmetries and invariant neural networks

Treating neural network inputs and outputs as random variables, we characterize the structure of neural networks that can be used to model data that are invariant or equivariant under the action of a compact group. Much recent research has been devoted to encoding invariance under symmetry transformations into neural network architectures, in an effort to improve the performance of deep neural networks in data-scarce, non-i.i.d., or unsupervised settings. By considering group invariance from the perspective of probabilistic symmetry, we establish a link between functional and probabilistic symmetry, and obtain generative functional representations of probability distributions that are invariant or equivariant under the action of a compact group. Our representations completely characterize the structure of neural networks that can be used to model such distributions and yield a general program for constructing invariant stochastic or deterministic neural networks. We demonstrate that examples from the recent literature are special cases, and develop the details of the general program for exchangeable sequences and arrays.Comment: Revised structure for clarity; fixed minor mistakes; incorporated reviewer feedback for publicatio

Sample Sizes for Threshold Networks with Equivalences

This paper applies the theory of Probably Approximately Correct (PAC) learning to multiple output feedforward threshold networks in which the weights conform to certain equivalences. It is shown that the sample site for reliable learning can be bounded above by a formula similar to that required for single output networks with no equivalences. The best previously obtained bounds are improved for all cases