Neural Embeddings of Graphs in Hyperbolic Space

Neural embeddings have been used with great success in Natural Language Processing (NLP). They provide compact representations that encapsulate word similarity and attain state-of-the-art performance in a range of linguistic tasks. The success of neural embeddings has prompted significant amounts of research into applications in domains other than language. One such domain is graph-structured data, where embeddings of vertices can be learned that encapsulate vertex similarity and improve performance on tasks including edge prediction and vertex labelling. For both NLP and graph based tasks, embeddings have been learned in high-dimensional Euclidean spaces. However, recent work has shown that the appropriate isometric space for embedding complex networks is not the flat Euclidean space, but negatively curved, hyperbolic space. We present a new concept that exploits these recent insights and propose learning neural embeddings of graphs in hyperbolic space. We provide experimental evidence that embedding graphs in their natural geometry significantly improves performance on downstream tasks for several real-world public datasets.Comment: 7 pages, 5 figure

Computationally Tractable Riemannian Manifolds for Graph Embeddings

Representing graphs as sets of node embeddings in certain curved Riemannian manifolds has recently gained momentum in machine learning due to their desirable geometric inductive biases, e.g., hierarchical structures benefit from hyperbolic geometry. However, going beyond embedding spaces of constant sectional curvature, while potentially more representationally powerful, proves to be challenging as one can easily lose the appeal of computationally tractable tools such as geodesic distances or Riemannian gradients. Here, we explore computationally efficient matrix manifolds, showcasing how to learn and optimize graph embeddings in these Riemannian spaces. Empirically, we demonstrate consistent improvements over Euclidean geometry while often outperforming hyperbolic and elliptical embeddings based on various metrics that capture different graph properties. Our results serve as new evidence for the benefits of non-Euclidean embeddings in machine learning pipelines.Comment: Submitted to the Thirty-fourth Conference on Neural Information Processing System

Monotone Maps, Sphericity and Bounded Second Eigenvalue

We consider {\em monotone} embeddings of a finite metric space into low dimensional normed space. That is, embeddings that respect the order among the distances in the original space. Our main interest is in embeddings into Euclidean spaces. We observe that any metric on $n$ points can be embedded into $l_2^n$, while, (in a sense to be made precise later), for almost every $n$-point metric space, every monotone map must be into a space of dimension $\Omega(n)$. It becomes natural, then, to seek explicit constructions of metric spaces that cannot be monotonically embedded into spaces of sublinear dimension. To this end, we employ known results on {\em sphericity} of graphs, which suggest one example of such a metric space - that defined by a complete bipartitegraph. We prove that an $\delta n$-regular graph of order $n$, with bounded diameter has sphericity $\Omega(n/(\lambda_2+1))$, where $\lambda_2$ is the second largest eigenvalue of the adjacency matrix of the graph, and 0 < \delta \leq \half is constant. We also show that while random graphs have linear sphericity, there are {\em quasi-random} graphs of logarithmic sphericity. For the above bound to be linear, $\lambda_2$ must be constant. We show that if the second eigenvalue of an $n/2$-regular graph is bounded by a constant, then the graph is close to being complete bipartite. Namely, its adjacency matrix differs from that of a complete bipartite graph in only $o(n^2)$ entries. Furthermore, for any 0 < \delta < \half, and $\lambda_2$, there are only finitely many $\delta n$-regular graphs with second eigenvalue at most $\lambda_2$

Learning Neural Graph Representations in Non-Euclidean Geometries

The success of Deep Learning methods is heavily dependent on the choice of the data representation. For that reason, much of the actual effort goes into Representation Learning, which seeks to design preprocessing pipelines and data transformations that can support effective learning algorithms. The aim of Representation Learning is to facilitate the task of extracting useful information for classifiers and other predictor models. In this regard, graphs arise as a convenient data structure that serves as an intermediary representation in a wide range of problems. The predominant approach to work with graphs has been to embed them in an Euclidean space, due to the power and simplicity of this geometry. Nevertheless, data in many domains exhibit non-Euclidean features, making embeddings into Riemannian manifolds with a richer structure necessary. The choice of a metric space where to embed the data imposes a geometric inductive bias, with a direct impact on the performance of the models. This thesis is about learning neural graph representations in non-Euclidean geometries and showcasing their applicability in different downstream tasks. We introduce a toolkit formed by different graph metrics with the goal of characterizing the topology of the data. In that way, we can choose a suitable target embedding space aligned to the shape of the dataset. By virtue of the geometric inductive bias provided by the structure of the non-Euclidean manifolds, neural models can achieve higher performances with a reduced parameter footprint. As a first step, we study graphs with hierarchical structures. We develop different techniques to derive hierarchical graphs from large label inventories. Noticing the capacity of hyperbolic spaces to represent tree-like arrangements, we incorporate this information into an NLP model through hyperbolic graph embeddings and showcase the higher performance that they enable. Second, we tackle the question of how to learn hierarchical representations suited for different downstream tasks. We introduce a model that jointly learns task-specific graph embeddings from a label inventory and performs classification in hyperbolic space. The model achieves state-of-the-art results on very fine-grained labels, with a remarkable reduction of the parameter size. Next, we move to matrix manifolds to work on graphs with diverse structures and properties. We propose a general framework to implement the mathematical tools required to learn graph embeddings on symmetric spaces. These spaces are of particular interest given that they have a compound geometry that simultaneously contains Euclidean as well as hyperbolic subspaces, allowing them to automatically adapt to dissimilar features in the graph. We demonstrate a concrete implementation of the framework on Siegel spaces, showcasing their versatility on different tasks. Finally, we focus on multi-relational graphs. We devise the means to translate Euclidean and hyperbolic multi-relational graph embedding models into the space of symmetric positive definite (SPD) matrices. To do so we develop gyrocalculus in this geometry and integrate it with the aforementioned framework

Change Detection in Graph Streams by Learning Graph Embeddings on Constant-Curvature Manifolds

The space of graphs is often characterised by a non-trivial geometry, which complicates learning and inference in practical applications. A common approach is to use embedding techniques to represent graphs as points in a conventional Euclidean space, but non-Euclidean spaces have often been shown to be better suited for embedding graphs. Among these, constant-curvature Riemannian manifolds (CCMs) offer embedding spaces suitable for studying the statistical properties of a graph distribution, as they provide ways to easily compute metric geodesic distances. In this paper, we focus on the problem of detecting changes in stationarity in a stream of attributed graphs. To this end, we introduce a novel change detection framework based on neural networks and CCMs, that takes into account the non-Euclidean nature of graphs. Our contribution in this work is twofold. First, via a novel approach based on adversarial learning, we compute graph embeddings by training an autoencoder to represent graphs on CCMs. Second, we introduce two novel change detection tests operating on CCMs. We perform experiments on synthetic data, as well as two real-world application scenarios: the detection of epileptic seizures using functional connectivity brain networks, and the detection of hostility between two subjects, using human skeletal graphs. Results show that the proposed methods are able to detect even small changes in a graph-generating process, consistently outperforming approaches based on Euclidean embeddings.Comment: 14 pages, 8 figure