Any-Dimensional Invariant Universality

Many machine learning models are defined for inputs of different sizes, such as point clouds containing different numbers of points, sequences of tokens of different lengths, and graphs on different numbers of nodes. Such models are trained on finitely many examples of necessarily limited sizes. How well do these models generalize from inputs of small size to larger inputs of size not seen during training? Furthermore, evaluating such models on large inputs is often expensive. How can we sketch large inputs to obtain smaller ones on which the model takes similar values? At the heart of both questions is the need to compare inputs of different sizes and to approximate large inputs by small ones. We present a unified approach to address these questions by using random sampling maps to compare inputs of different sizes. The sampling maps we consider are generalizations of sampling with replacement, random binning, and species sampling. We characterize the application domains in which each type of sampling is appropriate in terms of the symmetries and relations between problem instances of different sizes in the domain. Our framework yields explicit generalization and sketching rates for function classes continuous with respect to a chosen notion of sampling, encompassing large families of functions defined on sequences, graphs, and tensors of different sizes. Specific examples include moment polynomials on measures, homomorphism densities and numbers of graphs, permutation-invariant transformers, and graph neural networks.

In many practical applications it is important to build symmetries into neural network architectures. Consider the important case of permutation symmetry on point clouds consisting of $n$ points in $d$ dimensions. In this case the network learns a function on a set of $n$ points in $\mathbb{R}^d$, and a natural paradigm for constructing invariant networks is Janossy pooling, which generalizes the popular Deep Sets architecture. We study the universality of this approach, in particular the important question of how large the embedding dimension must be to guarantee universality of this architecture. Specifically, using a novel technique, we prove new lower bounds on the required size of this embedding dimension. For Deep Sets, this gives the correct minimal dimension up to a constant factor for all $d > 1$. For $k$-ary Janossy pooling, we prove the first non-trivial lower bound on the required embedding dimension when $k > 1$.

We analyze the universal approximation property of Kolmogorov-Arnold Networks (KANs) in terms of their edge functions. If these functions are all affine, then universality clearly fails. How many non-affine functions are needed, in addition to affine ones, to ensure universality? We show that a single one suffices. More precisely, we prove that deep KANs in which all edge functions are either affine or equal to a fixed continuous function $σ$ are dense in $C(K)$ for every compact set $K\subset\mathbb{R}^n$ if and only if $σ$ is non-affine. In contrast, for KANs with exactly two hidden layers, universality holds if and only if $σ$ is nonpolynomial. We further show that the full class of affine functions is not required; it can be replaced by a finite set without affecting universality. In particular, in the nonpolynomial case, a fixed family of five affine functions suffices when the depth is arbitrary. More generally, for every continuous non-affine function $σ$, there exists a finite affine family $A_σ$ such that deep KANs with edge functions in $A_σ\cup\{σ\}$ remain universal. We also prove that KANs with the spline-based edge parameterization introduced by Liu et al.~\cite{Liu2024} are universal approximators in the classical sense, even when the spline degree and knot sequence are fixed in advance.