multiset
Monotone and Separable Set Functions: Characterizations and Neural Models
Motivated by applications for set containment problems, we consider the following fundamental problem: can we design set-to-vector functions so that the natural partial order on sets is preserved, namely S T if and only if F(S) F(T). We call functions satisfying this property Monotone and Separating (MAS) set functions. We establish lower and upper bounds for the vector dimension necessary to obtain MAS functions, as a function of the cardinality of the multisets and the underlying ground set. In the important case of an infinite ground set, we show that MAS functions do not exist, but provide a model called MASNET which provably enjoys a relaxed MAS property we name "weakly MAS" and is stable in the sense of Holder continuity. We also show that MAS functions can be used to construct universal models that are monotone by construction and can approximate all monotone set functions. Experimentally, we consider a variety of set containment tasks. The experiments show the benefit of using our MASNET model, in comparison with standard set models which do not incorporate set containment as an inductive bias.
On Local Limits of Sparse Random Graphs: Color Convergence and the Refined Configuration Model
Local convergence has emerged as a fundamental tool for analyzing sparse random graph models. We introduce a new notion of local convergence, color convergence, based on the Weisfeiler-Leman algorithm. Color convergence fully characterizes the class of random graphs that are well-behaved in the limit for message-passing graph neural networks. Building on this, we propose the Refined Configuration Model (RCM), a random graph model that generalizes the configuration model. The RCM is universal with respect to local convergence among locally tree-like random graph models, including Erd os-Rรฉnyi, stochastic block and configuration models. Finally, this framework enables a complete characterization of the random trees that arise as local limits of such graphs.
Equivariance Everywhere All At Once: A Recipe for Graph Foundation Models
Graph machine learning architectures are typically tailored to specific tasks on specific datasets, which hinders their broader applicability. This has led to a new quest in graph machine learning: \emph{how to build graph foundation models (GFMs)} capable of generalizing across arbitrary graphs and features? In this work, we present a recipe for designing GFMs for node-level tasks from first principles. The key ingredient underpinning our study is a systematic investigation of the symmetries that a graph foundation model must respect. In a nutshell, we argue that label permutation-equivariance alongside feature permutation-invariance are necessary in addition to the common node permutation-equivariance on each local neighborhood of the graph. To this end, we first characterize the space of linear transformations that are equivariant to permutations of nodes and labels, and invariant to permutations of features. We then prove that the resulting network is a universal approximator on multisets that respect the aforementioned symmetries. Our recipe uses such layers on the multiset of features induced by the local neighborhood of the graph to obtain a class of graph foundation models for node property prediction.
Going beyond persistent homology using persistent homology Johanna Immonen University of Helsinki
Augmenting these graph models with topological features via persistent homology (PH) has gained prominence, but identifying the class of attributed graphs that PH can recognize remains open. We introduce a novel concept of color-separating sets to provide a complete resolution to this important problem.