Zero-Shot Size Transfer for Neural ODEs on Sparse Random Graphs: Graphon Limits and Adjoint Convergence

Graph Neural Differential Equations (GNDEs) model continuous-time graph dynamics by parameterizing Neural ODE velocity fields with Graph Neural Networks. Their local, size-independent filters suggest a zero-shot size-transfer principle: train on a small graph and deploy on larger, similar graphs without retraining. We develop a quantitative theory for this principle on sparse random graphs sampled from graphons. We consider Graphon Neural Differential Equations (Graphon-NDEs) and adjoint Graphon-NDEs as the infinite-node limits of the forward and adjoint GNDE systems, and establish well-posedness. For an $n$-node random graph with sparsity parameter $α_n$, we prove trajectory-wise convergence of GNDE solutions to Graphon-NDE solutions at rate $O((α_n n)^{-1/2})$, up to logarithmic factors, with high probability. We also establish uniform-in-time convergence bounds for adjoint systems governing hidden-state and parameter gradients. We further study discretize-then-optimize (DTO) and optimize-then-discretize (OTD) training. Under explicit Euler discretization with $M$ steps, we show that DTO and OTD are asymptotically consistent, with hidden-state and local parameter-gradient discrepancies of orders $O(1/M)$ and $O(1/M^2)$, respectively, up to sparsity and logarithmic factors. Experiments on HSBM and tent graphons support the theoretical rates, while zero-shot transfer experiments across four graphon classes demonstrate accurate deployment of learned GNDEs on larger independently sampled graphs.

Sparse Deep Learning Models with the $\ell_1$ Regularization

Sparse neural networks are highly desirable in deep learning in reducing its complexity. The goal of this paper is to study how choices of regularization parameters influence the sparsity level of learned neural networks. We first derive the $\ell_1$-norm sparsity-promoting deep learning models including single and multiple regularization parameters models, from a statistical viewpoint. We then characterize the sparsity level of a regularized neural network in terms of the choice of the regularization parameters. Based on the characterizations, we develop iterative algorithms for selecting regularization parameters so that the weight parameters of the resulting deep neural network enjoy prescribed sparsity levels. Numerical experiments are presented to demonstrate the effectiveness of the proposed algorithms in choosing desirable regularization parameters and obtaining corresponding neural networks having both of predetermined sparsity levels and satisfactory approximation accuracy.

Hypothesis Spaces for Deep Learning

This paper introduces a hypothesis space for deep learning that employs deep neural networks (DNNs). By treating a DNN as a function of two variables, the physical variable and parameter variable, we consider the primitive set of the DNNs for the parameter variable located in a set of the weight matrices and biases determined by a prescribed depth and widths of the DNNs. We then complete the linear span of the primitive DNN set in a weak* topology to construct a Banach space of functions of the physical variable. We prove that the Banach space so constructed is a reproducing kernel Banach space (RKBS) and construct its reproducing kernel. We investigate two learning models, regularized learning and minimum interpolation problem in the resulting RKBS, by establishing representer theorems for solutions of the learning models. The representer theorems unfold that solutions of these learning models can be expressed as linear combination of a finite number of kernel sessions determined by given data and the reproducing kernel.

Sparse Representer Theorems for Learning in Reproducing Kernel Banach Spaces

Sparsity of a learning solution is a desirable feature in machine learning. Certain reproducing kernel Banach spaces (RKBSs) are appropriate hypothesis spaces for sparse learning methods. The goal of this paper is to understand what kind of RKBSs can promote sparsity for learning solutions. We consider two typical learning models in an RKBS: the minimum norm interpolation (MNI) problem and the regularization problem. We first establish an explicit representer theorem for solutions of these problems, which represents the extreme points of the solution set by a linear combination of the extreme points of the subdifferential set, of the norm function, which is data-dependent. We then propose sufficient conditions on the RKBS that can transform the explicit representation of the solutions to a sparse kernel representation having fewer terms than the number of the observed data. Under the proposed sufficient conditions, we investigate the role of the regularization parameter on sparsity of the regularized solutions. We further show that two specific RKBSs: the sequence space $\ell_1(\mathbb{N})$ and the measure space can have sparse representer theorems for both MNI and regularization models.