Modeling Graphs Beyond Hyperbolic: Graph Neural Networks in Symmetric Positive Definite MatricesWei Zhao, Federico Lopez, J. Maxwell Riestenberg et al.
Recent research has shown that alignment between the structure of graph data and the geometry of an embedding space is crucial for learning high-quality representations of the data. The uniform geometry of Euclidean and hyperbolic spaces allows for representing graphs with uniform geometric and topological features, such as grids and hierarchies, with minimal distortion. However, real-world graph data is characterized by multiple types of geometric and topological features, necessitating more sophisticated geometric embedding spaces. In this work, we utilize the Riemannian symmetric space of symmetric positive definite matrices (SPD) to construct graph neural networks that can robustly handle complex graphs. To do this, we develop an innovative library that leverages the SPD gyrocalculus tools \cite{lopez2021gyroSPD} to implement the building blocks of five popular graph neural networks in SPD. Experimental results demonstrate that our graph neural networks in SPD substantially outperform their counterparts in Euclidean and hyperbolic spaces, as well as the Cartesian product thereof, on complex graphs for node and graph classification tasks. We release the library and datasets at \url{https://github.com/andyweizhao/SPD4GNNs}.
Vector-valued Distance and Gyrocalculus on the Space of Symmetric Positive Definite MatricesFederico López, Beatrice Pozzetti, Steve Trettel et al.
We propose the use of the vector-valued distance to compute distances and extract geometric information from the manifold of symmetric positive definite matrices (SPD), and develop gyrovector calculus, constructing analogs of vector space operations in this curved space. We implement these operations and showcase their versatility in the tasks of knowledge graph completion, item recommendation, and question answering. In experiments, the SPD models outperform their equivalents in Euclidean and hyperbolic space. The vector-valued distance allows us to visualize embeddings, showing that the models learn to disentangle representations of positive samples from negative ones.
A Fully Hyperbolic Neural Model for Hierarchical Multi-Class ClassificationFederico López, Michael Strube
Label inventories for fine-grained entity typing have grown in size and complexity. Nonetheless, they exhibit a hierarchical structure. Hyperbolic spaces offer a mathematically appealing approach for learning hierarchical representations of symbolic data. However, it is not clear how to integrate hyperbolic components into downstream tasks. This is the first work that proposes a fully hyperbolic model for multi-class multi-label classification, which performs all operations in hyperbolic space. We evaluate the proposed model on two challenging datasets and compare to different baselines that operate under Euclidean assumptions. Our hyperbolic model infers the latent hierarchy from the class distribution, captures implicit hyponymic relations in the inventory, and shows performance on par with state-of-the-art methods on fine-grained classification with remarkable reduction of the parameter size. A thorough analysis sheds light on the impact of each component in the final prediction and showcases its ease of integration with Euclidean layers.