Jay Revolinsky

Jay Revolinsky, Harry Shomer, Jiliang Tang

Discrete graph generation has emerged as a powerful paradigm for modeling graph-structured data, yet state of the art models often rely on Graph Transformers or higher order architectures. We revisit this design assumption by introducing GenGNN, a modular message passing backbone for graph generation. GenGNN enables powerful generation by persisting edge fields through latent refinement of coupled node edge graph states, all without requiring global attention. Diffusion models integrating GenGNN achieve over 90 percent validity on standard benchmark datasets, performing within margins of Graph Transformer backbones and achieving up to 2x or even 5x faster inference. Systematic ablations isolate how GenGNN is resilient to oversmoothing during generative denoising, indicating each GenGNN component is necessary for downstream generation quality. Finally, representation-space analysis suggests GenGNN learns functionally similar representations to more theoretically-expressive architectures; even at deeper layers. As such, GenGNN uplifts local message-passing to challenge prevailing assumptions that performant discrete graph generation requires global attention or higher-order representations. Source Code Available Here

Jay Revolinsky, Harry Shomer, Jiliang Tang

Graphs Neural Networks (GNNs) demonstrate high-performance on the link prediction (LP) task. However, these models often rely on all dataset samples being drawn from the same distribution. In addition, graph generative models (GGMs) show a pronounced ability to generate novel output graphs. Despite this, GGM applications remain largely limited to domain-specific tasks. To bridge this gap, we propose FLEX as a GGM framework which leverages two mechanism: (1) structurally-conditioned graph generation, and (2) adversarial co-training between an auto-encoder and GNN. As such, FLEX ensures structural-alignment between sample distributions to enhance link-prediction performance in out-of-distribution (OOD) scenarios. Notably, FLEX does not require expert knowledge to function in different OOD scenarios. Numerous experiments are conducted in synthetic and real-world OOD settings to demonstrate FLEX's performance-enhancing ability, with further analysis for understanding the effects of graph data augmentation on link structures. The source code is available here: https://github.com/revolins/FlexOOD.

Harry Shomer, Jay Revolinsky, Jiliang Tang

Knowledge Graph Completion (KGC) attempts to predict missing facts in a Knowledge Graph (KG). Recently, there's been an increased focus on designing KGC methods that can excel in the inductive setting, where a portion or all of the entities and relations seen in inference are unobserved during training. Numerous benchmark datasets have been proposed for inductive KGC, all of which are subsets of existing KGs used for transductive KGC. However, we find that the current procedure for constructing inductive KGC datasets inadvertently creates a shortcut that can be exploited even while disregarding the relational information. Specifically, we observe that the Personalized PageRank (PPR) score can achieve strong or near SOTA performance on most datasets. In this paper, we study the root cause of this problem. Using these insights, we propose an alternative strategy for constructing inductive KGC datasets that helps mitigate the PPR shortcut. We then benchmark multiple popular methods using the newly constructed datasets and analyze their performance. The new benchmark datasets help promote a better understanding of the capabilities and challenges of inductive KGC by removing any shortcuts that obfuscate performance. The code and dataset and can be found at https://github.com/HarryShomer/Better-Inductive-KGC.

Jay Revolinsky, Harry Shomer, Jiliang Tang

State-of-the-art link prediction (LP) models demonstrate impressive benchmark results. However, popular benchmark datasets often assume that training, validation, and testing samples are representative of the overall dataset distribution. In real-world situations, this assumption is often incorrect; uncontrolled factors lead new dataset samples to come from a different distribution than training samples. Additionally, the majority of recent work with graph dataset shift focuses on node- and graph-level tasks, largely ignoring link-level tasks. To bridge this gap, we introduce a novel splitting strategy, known as LPShift, which utilizes structural properties to induce a controlled distribution shift. We verify LPShift's effect through empirical evaluation of SOTA LP models on 16 LPShift variants of original dataset splits, with results indicating drastic changes to model performance. Additional experiments demonstrate graph structure has a strong influence on the success of current generalization methods. Source Code Available Here: https://github.com/revolins/LPShift