Search arXivSearch

arXiv · 2105.14490

Relational Graph Neural Network Design via Progressive Neural Architecture Search

Abstract

We propose a novel solution to addressing a long-standing dilemma in the representation learning of graph neural networks (GNNs): how to effectively capture and represent useful information embedded in long-distance nodes to improve the performance of nodes with low homophily without leading to performance degradation in nodes with high homophily. This dilemma limits the generalization capability of existing GNNs. Intuitively, interactions with distant nodes introduce more noise for a node than those with close neighbors. However, in most existing works, messages being passed among nodes are mingled together, which is inefficient from a communication perspective. Our solution is based on a novel, simple, yet effective aggregation scheme, resulting in a ladder-style GNN architecture, namely LADDER-GNN. Specifically, we separate messages from different hops, assign different dimensions for them, and then concatenate them to obtain node representations. Such disentangled representations facilitate improving the information-to-noise ratio of messages passed from different hops. To explore an effective hop-dimension relationship, we develop a conditionally progressive neural architecture search strategy. Based on the searching results, we further propose an efficient approximate hop-dimension relation function to facilitate the rapid configuration of the proposed LADDER-GNN. We verify the proposed LADDER-GNN on seven diverse semi-supervised node classification datasets. Experimental results show that our solution achieves better performance than most existing GNNs. We further analyze our aggregation scheme with two commonly used GNN architectures, and the results corroborate that our scheme outperforms existing schemes in classifying low homophily nodes by a large margin.

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Ailing Zeng, Minhao Liu, Zhiwei Liu, Ruiyuan Gao, Jing Qin, Qiang Xu. 2022-02-16. Relational Graph Neural Network Design via Progressive Neural Architecture Search. https://arxiv.org/abs/2105.14490

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

Analysis of Regularized Learning in Banach Spaces for Linear-functional Data

This article delves into the study of the theory of regularized learning in Banach spaces for linear-functional data. It encompasses discussions on representer theorems, pseudo-approximation theorems, and convergence theorems. Regularized learning is designed to minimize regularized empirical risks over a Banach space. The empirical risks are calculated by utilizing training data and multi-loss functions. The input training data are composed of linear functionals in a predual space of the Banach space to capture discrete local information from multimodal data and multiscale models. Through the regularized learning, approximations of the exact solution to an unidentified or uncertain original problem are globally achieved. In the convergence theorems, the convergence of the approximate solutions to the exact solution is established through the utilization of the weak* topology of the Banach space. The theorems of regularized learning are utilized in the interpretation of classical machine learning, such as support vector machines and artificial neural networks.

cs.LG

On Minimal Depth in Neural Networks

Understanding the relationship between the depth of a neural network and its representational capacity is a central problem in deep learning theory. In this work, we develop a geometric framework to analyze the expressivity of ReLU networks with the notion of depth complexity for convex polytopes. The depth of a polytope recursively quantifies the number of alternating convex hull and Minkowski sum operations required to construct it. This geometric perspective serves as a rigorous tool for deriving depth lower bounds and understanding the structural limits of deep neural architectures. We establish lower and upper bounds on the depth of polytopes, as well as tight bounds for classical families. These results yield two main consequences. First, we provide a purely geometric proof of the expressivity bound by Arora et al. (2018), confirming that $\lceil \log_2(n+1)\rceil$ hidden layers suffice to represent any continuous piecewise linear (CPWL) function. Second, we prove that, unlike general ReLU networks, convex polytopes do not admit a universal depth bound. Specifically, the depth of cyclic polytopes in dimensions $n \geq 4$ grows unboundedly with the number of vertices. This result implies that Input Convex Neural Networks (ICNNs) cannot represent all convex CPWL functions with a fixed depth, revealing a sharp separation in expressivity between ICNNs and standard ReLU networks.

cs.LG

DeepSPoC: A Deep Learning Based Sequential Propagation of Chaos

Classical particle methods based on propagation of chaos (PoC) have been developed for solving mean-field stochastic differential equations and their associated nonlinear Fokker--Planck equations. However, direct PoC implementations are difficult to apply to high-dimensional problems because they require simulating and storing large numbers of interacting particles, often with high particle-particle interaction costs. Motivated by these limitations, we build on the recently proposed sequential propagation of chaos (SPoC) framework, which replaces the fully interacting particle system in PoC with a sequential interaction mechanism. Based on this structure, we present DeepSPoC, a neural particle method that embeds a neural density representation into the sequential particle dynamics. DeepSPoC simulates particles batch by batch, while the neural network represents the evolving empirical law and is substituted into the coefficients of the mean-field SDE, thereby replacing direct particle-particle interactions with particle-network interactions. In DeepSPoC, a recently developed normalizing flow model called KRnet is used to approximate the empirical measure of particles. Compared with direct particle implementations, DeepSPoC substantially reduces memory consumption and evaluates interaction terms more efficiently, thereby improving scalability for high-dimensional problems. We apply DeepSPoC to a wide range of mean-field equations and verify its effectiveness and computational advantages.

cs.LG