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Probabilistic Foundations of Fuzzy Simplicial Sets for Nonlinear Dimensionality Reduction

Keck, Janis, Barth, Lukas Silvester, Fatemeh, null, Fahimi, null, Joharinad, Parvaneh, Jost, Jürgen

arXiv.org Machine Learning

Fuzzy simplicial sets have become an object of interest in dimensionality reduction and manifold learning, most prominently through their role in UMAP. However, their definition through tools from algebraic topology without a clear probabilistic interpretation detaches them from commonly used theoretical frameworks in those areas. In this work we introduce a framework that explains fuzzy simplicial sets as marginals of probability measures on simplicial sets. In particular, this perspective shows that the fuzzy weights of UMAP arise from a generative model that samples Vietoris-Rips filtrations at random scales, yielding cumulative distribution functions of pairwise distances. More generally, the framework connects fuzzy simplicial sets to probabilistic models on the face poset, clarifies the relation between Kullback-Leibler divergence and fuzzy cross-entropy in this setting, and recovers standard t-norms and t-conorms via Boolean operations on the underlying simplicial sets. We then show how new embedding methods may be derived from this framework and illustrate this on an example where we generalize UMAP using Čech filtrations with triplet sampling. In summary, this probabilistic viewpoint provides a unified probabilistic theoretical foundation for fuzzy simplicial sets, clarifies the role of UMAP within this framework, and enables the systematic derivation of new dimensionality reduction methods.



Persistent reachability homology in machine learning applications

Caputi, Luigi, Meadows, Nicholas, Riihimäki, Henri

arXiv.org Artificial Intelligence

We explore the recently introduced persistent reachability homology (PRH) of digraph data, i.e. data in the form of directed graphs. In particular, we study the effectiveness of PRH in network classification task in a key neuroscience problem: epilepsy detection. PRH is a variation of the persistent homology of digraphs, more traditionally based on the directed flag complex (DPH). A main advantage of PRH is that it considers the condensations of the digraphs appearing in the persistent filtration and thus is computed from smaller digraphs. We compare the effectiveness of PRH to that of DPH and we show that PRH outperforms DPH in the classification task. We use the Betti curves and their integrals as topological features and implement our pipeline on support vector machine.


Minima and Critical Points of the Bethe Free Energy Are Invariant Under Deformation Retractions of Factor Graphs

Sergeant-Perthuis, Grégoire, Boitel, Léo

arXiv.org Machine Learning

In graphical models, factor graphs, and more generally energy-based models, the interactions between variables are encoded by a graph, a hypergraph, or, in the most general case, a partially ordered set (poset). Inference on such probabilistic models cannot be performed exactly due to cycles in the underlying structures of interaction. Instead, one resorts to approximate variational inference by optimizing the Bethe free energy. Critical points of the Bethe free energy correspond to fixed points of the associated Belief Propagation algorithm. A full characterization of these critical points for general graphs, hypergraphs, and posets with a finite number of variables is still an open problem. We show that, for hypergraphs and posets with chains of length at most 1, changing the poset of interactions of the probabilistic model to one with the same homotopy type induces a bijection between the critical points of the associated free energy. This result extends and unifies classical results that assume specific forms of collapsibility to prove uniqueness of the critical points of the Bethe free energy.




On the Sheafification of Higher-Order Message Passing

Hume, Jacob, Liò, Pietro

arXiv.org Artificial Intelligence

Recent work in Topological Deep Learning (TDL) seeks to generalize graph learning's preeminent $message \ passing$ paradigm to more complex relational structures: simplicial complexes, cell complexes, hypergraphs, and combinations thereof. Many approaches to such ${higher\text{-}order \ message \ passing}$ (HOMP) admit formulation in terms of nonlinear diffusion with the Hodge (combinatorial) Laplacian, a graded operator which carries an inductive bias that dimension-$k$ data features correlate with dimension-$k$ topological features encoded in the (singular) cohomology of the underlying domain. For $k=0$ this recovers the graph Laplacian and its well-studied homophily bias. In higher gradings, however, the Hodge Laplacian's bias is more opaque and potentially even degenerate. In this essay, we position sheaf theory as a natural and principled formalism for modifying the Hodge Laplacian's diffusion-mediated interface between local and global descriptors toward more expressive message passing. The sheaf Laplacian's inductive bias correlates dimension-$k$ data features with dimension-$k$ $sheaf$ cohomology, a data-aware generalization of singular cohomology. We will contextualize and novelly extend prior theory on sheaf diffusion in graph learning ($k=0$) in such a light -- and explore how it fails to generalize to $k>0$ -- before developing novel theory and practice for the higher-order setting. Our exposition is accompanied by a self-contained introduction shepherding sheaves from the abstract to the applied.