Representing graphs by their homomorphism counts has led to the beautiful theory of homomorphism indistinguishability in recent years. Moreover, homomorphism counts have promising applications in database theory and machine learning, where one would like to answer queries or classify graphs solely based on the representation of a graph $G$ as a finite vector of homomorphism counts from some fixed finite set of graphs to $G$. We study the computational complexity of the arguably most fundamental computational problem associated to these representations, the homomorphism reconstructability problem: given a finite sequence of graphs and a corresponding vector of natural numbers, decide whether there exists a graph $G$ that realises the given vector as the homomorphism counts from the given graphs. We show that this problem yields a natural example of an $\mathsf{NP}^{#\mathsf{P}}$-hard problem, which still can be $\mathsf{NP}$-hard when restricted to a fixed number of input graphs of bounded treewidth and a fixed input vector of natural numbers, or alternatively, when restricted to a finite input set of graphs. We further show that, when restricted to a finite input set of graphs and given an upper bound on the order of the graph $G$ as additional input, the problem cannot be $\mathsf{NP}$-hard unless $\mathsf{P} = \mathsf{NP}$. For this regime, we obtain partial positive results. We also investigate the problem's parameterised complexity and provide fpt-algorithms for the case that a single graph is given and that multiple graphs of the same order with subgraph instead of homomorphism counts are given.

Numerous recent works have analyzed the expressive power of message-passing graph neural networks (MPNNs), primarily utilizing combinatorial techniques such as the $1$-dimensional Weisfeiler--Leman test ($1$-WL) for the graph isomorphism problem. However, the graph isomorphism objective is inherently binary, not giving insights into the degree of similarity between two given graphs. This work resolves this issue by considering continuous extensions of both $1$-WL and MPNNs to graphons. Concretely, we show that the continuous variant of $1$-WL delivers an accurate topological characterization of the expressive power of MPNNs on graphons, revealing which graphs these networks can distinguish and the level of difficulty in separating them. We identify the finest topology where MPNNs separate points and prove a universal approximation theorem. Consequently, we provide a theoretical framework for graph and graphon similarity combining various topological variants of classical characterizations of the $1$-WL. In particular, we characterize the expressive power of MPNNs in terms of the tree distance, which is a graph distance based on the concept of fractional isomorphisms, and substructure counts via tree homomorphisms, showing that these concepts have the same expressive power as the $1$-WL and MPNNs on graphons. Empirically, we validate our theoretical findings by showing that randomly initialized MPNNs, without training, exhibit competitive performance compared to their trained counterparts. Moreover, we evaluate different MPNN architectures based on their ability to preserve graph distances, highlighting the significance of our continuous $1$-WL test in understanding MPNNs' expressivity.

For every graph class {F}, let HomInd({F}) be the problem of deciding whether two given graphs are homomorphism-indistinguishable over {F}, i.e., for every graph F in {F}, the number hom(F, G) of homomorphisms from F to G equals the corresponding number hom(F, H) for H. For several natural graph classes (such as paths, trees, bounded treewidth graphs), homomorphism-indistinguishability over the class has an efficient structural characterization, resulting in polynomial time solvability [H. Dell et al., 2018]. In particular, it is known that two non-isomorphic graphs are homomorphism-indistinguishable over the class {T}_k of graphs of treewidth k if and only if they are not distinguished by k-dimensional Weisfeiler-Leman algorithm, a central heuristic for isomorphism testing: this characterization implies a polynomial time algorithm for HomInd({T}_k), for every fixed k in N. In this paper, we show that there is a polynomial-time-decidable class {F} of undirected graphs of bounded treewidth such that HomInd({F}) is undecidable. Our second hardness result concerns the class {K} of complete graphs. We show that HomInd({K}) is co-NP-hard, and in fact, we show completeness for the class C_=P (under P-time Turing reductions). On the algorithmic side, we show that HomInd({P}) can be solved in polynomial time for the class {P} of directed paths. We end with a brief study of two variants of the HomInd({F}) problem: (a) the problem of lexographic-comparison of homomorphism numbers of two graphs, and (b) the problem of computing certain distance-measures (defined via homomorphism numbers) between two graphs.