Mengzhou Gao

Mengzhou Gao, Kaiwei Wang, Pengfei Jiao

Neural Flows efficiently model irregular multivariate time series by directly learning ODE solution trajectories with neural networks, bypassing step-by-step numerical solvers. Despite their efficiency, many existing approaches treat variables independently, leaving inter-variable interactions underexplored. Moreover, their one-step mapping makes interaction modeling inherently challenging, as it removes the iterative refinement of interactions during learning. To address this challenge, we propose one-step Graph-Structured Neural Flows (GSNF), which introduce two auxiliary-trajectory self-supervision strategies to strengthen interaction learning: (i) interaction-aware trajectory generation via re-initialization, which induces trajectory divergence to expose graph-induced interactions, with a theoretically derived lower bound on divergence; and (ii) reverse-time trajectory generation, which enforces forward-backward consistency to regularize graph learning, enabled by flow invertibility. Experiments on five real-world datasets show that GSNF achieves state-of-the-art classification performance with highly competitive training time and memory usage.

Pengfe Jiao, Xinxun Zhang, Mengzhou Gao et al.

Generative self-supervised learning (SSL), especially masked autoencoders (MAE), has greatly succeeded and garnered substantial research interest in graph machine learning. However, the research of MAE in dynamic graphs is still scant. This gap is primarily due to the dynamic graph not only possessing topological structure information but also encapsulating temporal evolution dependency. Applying a random masking strategy which most MAE methods adopt to dynamic graphs will remove the crucial subgraph that guides the evolution of dynamic graphs, resulting in the loss of crucial spatio-temporal information in node representations. To bridge this gap, in this paper, we propose a novel Informative Subgraphs Aware Masked Auto-Encoder in Dynamic Graph, namely DyGIS. Specifically, we introduce a constrained probabilistic generative model to generate informative subgraphs that guide the evolution of dynamic graphs, successfully alleviating the issue of missing dynamic evolution subgraphs. The informative subgraph identified by DyGIS will serve as the input of dynamic graph masked autoencoder (DGMAE), effectively ensuring the integrity of the evolutionary spatio-temporal information within dynamic graphs. Extensive experiments on eleven datasets demonstrate that DyGIS achieves state-of-the-art performance across multiple tasks.

Xinxun Zhang, Pengfei Jiao, Mengzhou Gao et al.

Although dynamic graph neural networks (DyGNNs) have demonstrated promising capabilities, most existing methods ignore out-of-distribution (OOD) shifts that commonly exist in dynamic graphs. Dynamic graph OOD generalization is non-trivial due to the following challenges: 1) Identifying invariant and variant patterns amid complex graph evolution, 2) Capturing the intrinsic evolution rationale from these patterns, and 3) Ensuring model generalization across diverse OOD shifts despite limited data distribution observations. Although several attempts have been made to tackle these challenges, none has successfully addressed all three simultaneously, and they face various limitations in complex OOD scenarios. To solve these issues, we propose a Dynamic graph Causal Invariant Learning (DyCIL) model for OOD generalization via exploiting invariant spatio-temporal patterns from a causal view. Specifically, we first develop a dynamic causal subgraph generator to identify causal dynamic subgraphs explicitly. Next, we design a causal-aware spatio-temporal attention module to extract the intrinsic evolution rationale behind invariant patterns. Finally, we further introduce an adaptive environment generator to capture the underlying dynamics of distributional shifts. Extensive experiments on both real-world and synthetic dynamic graph datasets demonstrate the superiority of our model over state-of-the-art baselines in handling OOD shifts.

Zehao Liu, Mengzhou Gao, Pengfei Jiao

Multivariate time series anomaly detection has numerous real-world applications and is being extensively studied. Modeling pairwise correlations between variables is crucial. Existing methods employ learnable graph structures and graph neural networks to explicitly model the spatial dependencies between variables. However, these methods are primarily based on prediction or reconstruction tasks, which can only learn similarity relationships between sequence embeddings and lack interpretability in how graph structures affect time series evolution. In this paper, we designed a framework that models spatial dependencies using interpretable causal relationships and detects anomalies through changes in causal patterns. Specifically, we propose a method to dynamically discover Granger causality using gradients in nonlinear deep predictors and employ a simple sparsification strategy to obtain a Granger causality graph, detecting anomalies from a causal perspective. Experiments on real-world datasets demonstrate that the proposed model achieves more accurate anomaly detection compared to baseline methods.

Huan Liu, Pengfei Jiao, Mengzhou Gao et al.

Graph representation learning (GRL) has emerged as an effective technique for modeling graph-structured data. When modeling heterogeneity and dynamics in real-world complex networks, GRL methods designed for complex heterogeneous temporal graphs (HTGs) have been proposed and have achieved successful applications in various fields. However, most existing GRL methods mainly focus on preserving the low-order topology information while ignoring higher-order group interaction relationships, which are more consistent with real-world networks. In addition, most existing hypergraph methods can only model static homogeneous graphs, limiting their ability to model high-order interactions in HTGs. Therefore, to simultaneously enable the GRL model to capture high-order interaction relationships in HTGs, we first propose a formal definition of heterogeneous temporal hypergraphs and $P$-uniform heterogeneous hyperedge construction algorithm that does not rely on additional information. Then, a novel Heterogeneous Temporal HyperGraph Neural network (HTHGN), is proposed to fully capture higher-order interactions in HTGs. HTHGN contains a hierarchical attention mechanism module that simultaneously performs temporal message-passing between heterogeneous nodes and hyperedges to capture rich semantics in a wider receptive field brought by hyperedges. Furthermore, HTHGN performs contrastive learning by maximizing the consistency between low-order correlated heterogeneous node pairs on HTG to avoid the low-order structural ambiguity issue. Detailed experimental results on three real-world HTG datasets verify the effectiveness of the proposed HTHGN for modeling high-order interactions in HTGs and demonstrate significant performance improvements.