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A Stable Distance Persistence Homology for Dynamic Bayesian Network Clustering

arXiv.org Machine Learning

Dynamic Bayesian networks (DBNs) are a widely used framework for modeling systems whose probabilistic structure evolves over time. Standard inference methods focus on local conditional distributions and can miss larger-scale patterns in how dependencies between variables organize and change over time. We introduce a topological approach to this problem. To each DBN we associate a time-varying graph, called a Dynamic Bayesian Graph (DBG), by assigning to each edge a strength that measures variation in its conditional dependence across parent configurations, and retaining edges whose strength exceeds a chosen threshold. We show that this construction fits within the dynamic graph framework of Kim and Mรฉmoli, enabling the use of tools from topological data analysis. Applying persistent homology to a DBG produces a barcode, which records the merging and disappearance of connected groups of strongly dependent variables over time. We prove that this barcode is stable: small perturbations in the conditional probability tables of the DBN lead to small changes in the resulting barcode. This yields a principled and noise-resistant summary of how dependency structure evolves in a dynamic Bayesian network.



Towards Better Evaluation for Dynamic Link Prediction

Neural Information Processing Systems

Despite the prevalence of recent success in learning from static graphs, learning from time-evolving graphs remains an open challenge. In this work, we design new, more stringent evaluation procedures for link prediction specific to dynamic graphs, which reflect real-world considerations, to better compare the strengths and weaknesses of methods. First, we create two visualization techniques to understand the reoccurring patterns of edges over time and show that many edges reoccur at later time steps. Based on this observation, we propose a pure memorization-based baseline called EdgeBank. EdgeBank achieves surprisingly strong performance across multiple settings which highlights that the negative edges used in the current evaluation are easy. To sample more challenging negative edges, we introduce two novel negative sampling strategies that improve robustness and better match real-world applications. Lastly, we introduce six new dynamic graph datasets from a diverse set of domains missing from current benchmarks, providing new challenges and opportunities for future research. Our code repository is accessible at https://github.com/fpour/DGB.git.


Spectral Invariant Learning for Dynamic Graphs under Distribution Shifts (Appendix)

Neural Information Processing Systems

For brevity, we denote the SBM model as SBM(pin,pout), where pin [0,1]C 1 and pout denotes the link probability between the nodes belonging to the same class and the link probability between the nodes from different classes respectively. We adopt C = 5 classes. Based on the class label, each node has two types of parameters flow {0.02,0.04,0.08,0.10,0.12}and


Spectral Invariant Learning for Dynamic Graphs under Distribution Shifts

Neural Information Processing Systems

Dynamic graph neural networks (DyGNNs) currently struggle with handling distribution shifts that are inherent in dynamic graphs. Existing work on DyGNNs with out-of-distribution settings only focuses on the time domain, failing to handle cases involving distribution shifts in the spectral domain. In this paper, we discover that there exist cases with distribution shifts unobservable in the time domain while observable in the spectral domain, and propose to study distribution shifts on dynamic graphs in the spectral domain for the first time. However, this investigation poses two key challenges: i) it is non-trivial to capture different graph patterns that are driven by various frequency components entangled in the spectral domain; and ii) it remains unclear how to handle distribution shifts with the discovered spectral patterns. To address these challenges, we propose Spectral Invariant Learning for Dynamic Graphs under Distribution Shifts (SILD), which can handle distribution shifts on dynamic graphs by capturing and utilizing invariant and variant spectral patterns. Specifically, we first design a DyGNN with Fourier transform to obtain the ego-graph trajectory spectrums, allowing the mixed dynamic graph patterns to be transformed into separate frequency components. We then develop a disentangled spectrum mask to filter graph dynamics from various frequency components and discover the invariant and variant spectral patterns. Finally, we propose invariant spectral filtering, which encourages the model to rely on invariant patterns for generalization under distribution shifts. Experimental results on synthetic and real-world dynamic graph datasets demonstrate the superiority of our method for both node classification and link prediction tasks under distribution shifts.





NeuroGraph: Benchmarks for Graph Machine Learning in Brain Connectomics

Neural Information Processing Systems

Machine learning provides a valuable tool for analyzing high-dimensional functional neuroimaging data, and is proving effective in predicting various neurological conditions, psychiatric disorders, and cognitive patterns. In functional magnetic resonance imaging (MRI) research, interactions between brain regions are commonly modeled using graph-based representations. The potency of graph machine learning methods has been established across myriad domains, marking a transformative step in data interpretation and predictive modeling. Yet, despite their promise, the transposition of these techniques to the neuroimaging domain has been challenging due to the expansive number of potential preprocessing pipelines and the large parameter search space for graph-based dataset construction. In this paper, we introduce NeuroGraph1, a collection of graph-based neuroimaging datasets, and demonstrated its utility for predicting multiple categories of behavioral and cognitive traits.


Subspace Projection Methods for Fast Spectral Embeddings of Evolving Graphs

arXiv.org Machine Learning

Several graph data mining, signal processing, and machine learning downstream tasks rely on information related to the eigenvectors of the associated adjacency or Laplacian matrix. Classical eigendecomposition methods are powerful when the matrix remains static but cannot be applied to problems where the matrix entries are updated or the number of rows and columns increases frequently. Such scenarios occur routinely in graph analytics when the graph is changing dynamically and either edges and/or nodes are being added and removed. This paper puts forth a new algorithmic framework to update the eigenvectors associated with the leading eigenvalues of an initial adjacency or Laplacian matrix as the graph evolves dynamically. The proposed algorithm is based on Rayleigh-Ritz projections, in which the original eigenvalue problem is projected onto a restricted subspace which ideally encapsulates the invariant subspace associated with the sought eigenvectors. Following ideas from eigenvector perturbation analysis, we present a new methodology to build the projection subspace. The proposed framework features lower computational and memory complexity with respect to competitive alternatives while empirical results show strong qualitative performance, both in terms of eigenvector approximation and accuracy of downstream learning tasks of central node identification and node clustering.