阅读论文1:《How Powerful Are Graph Neural Networks?》

一、 论文中定理

1、定义1 —— Multiset

A multiset is a generalized concept of a set that allows multiple instances for its elements. More formally, a multiset is a 2-tulle X = ( S , m ) X=(S,m) X=(S,m) where S S S Is the underlying set of X X X that is formed from its distinct elements, and m : S → N ≥ 1 m: S\rightarrow N_{\ge1} m:SN1 gives the multiplicity of the elements.

2、引理2

Let G 1 G_1 G1 and G 2 G_2 G2 be any two non-isomorphic graphs. If a graph neural network A : G → R d A: G\rightarrow R^d A:GRd maps G 1 G_1 G1 and G 2 G_2 G2 to different embeddings, the Weisfeiler-Lehman graph isomorphism test also decides G 1 G_1 G1 and G 2 G_2 G2 are not isomorphic.

3、定理3

Let A : G → R d A: G \rightarrow R^d A:GRd be a GNN. With a sufficient number of GNN layers. A maps any graphs G 1 G_1 G1 And G 2 G_2 G2 that the WL test of isomorphism decides as non-isomorphic, to different embeddings if the following conditions hold:
a) A aggregates and updates node features iteratively with:
h v ( k ) = ϕ ( h v ( k − 1 ) , f ( { h u ( k − 1 ) : u ∈ N ( v ) } ) ) h_v^{(k)}=\phi(h_v^{(k-1)},f(\{ h_u^{(k-1)}:u\in N(v)\})) hv(k)=ϕ(hv(k1),f({hu(k1):uN(v)}))
Where the functions f f f, which operates on multisets, and ϕ \phi ϕ are invective.
b). A’s graph-level readout, which operates on the multiset of node features { h v k } \{ h_v^{k}\} {hvk}, is invective.

4、引理4

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