PyTorchKR Papers

최신 논문

총 2편
태그·기간 등 상세 필터

카테고리 탐색

로그인 후 이 태그 구독

arXiv:2305.19659공식 코드 · Papers with Code

Improving Expressivity of Graph Neural Networks using Localization

In this paper, we propose localized versions of Weisfeiler-Leman (WL) algorithms in an effort to both increase the expressivity, as well as decrease the computational overhead. We focus on the specific problem of subgraph counting and give localized versions of $k-$WL for any $k$. We analyze the power of Local $k-$WL and prove that it is more expressive than $k-$WL and at most as expressive as $(k+1)-$WL. We give a characterization of patterns whose count as a subgraph and induced subgraph are invariant if two graphs are Local $k-$WL equivalent. We also introduce two variants of $k-$WL: Layer $k-$WL and recursive $k-$WL. These methods are more time and space efficient than applying $k-$WL on the whole graph. We also propose a fragmentation technique that guarantees the exact count of all induced subgraphs of size at most 4 using just $1-$WL. The same idea can be extended further for larger patterns using $k>1$. We also compare the expressive power of Local $k-$WL with other GNN hierarchies and show that given a bound on the time-complexity, our methods are more expressive than the ones mentioned in Papp and Wattenhofer[2022a].

arXiv:2302.07090공식 코드 · Papers with Code

A Complete Expressiveness Hierarchy for Subgraph GNNs via Subgraph Weisfeiler-Lehman Tests

Recently, subgraph GNNs have emerged as an important direction for developing expressive graph neural networks (GNNs). While numerous architectures have been proposed, so far there is still a limited understanding of how various design paradigms differ in terms of expressive power, nor is it clear what design principle achieves maximal expressiveness with minimal architectural complexity. To address these fundamental questions, this paper conducts a systematic study of general node-based subgraph GNNs through the lens of Subgraph Weisfeiler-Lehman Tests (SWL). Our central result is to build a complete hierarchy of SWL with strictly growing expressivity. Concretely, we prove that any node-based subgraph GNN falls into one of the six SWL equivalence classes, among which $\mathsf{SSWL}$ achieves the maximal expressive power. We also study how these equivalence classes differ in terms of their practical expressiveness such as encoding graph distance and biconnectivity. Furthermore, we give a tight expressivity upper bound of all SWL algorithms by establishing a close relation with localized versions of WL and Folklore WL (FWL) tests. Our results provide insights into the power of existing subgraph GNNs, guide the design of new architectures, and point out their limitations by revealing an inherent gap with the 2-FWL test. Finally, experiments demonstrate that $\mathsf{SSWL}$-inspired subgraph GNNs can significantly outperform prior architectures on multiple benchmarks despite great simplicity.