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Leveraging Contrastive Learning for Enhanced Node Representations in Tokenized Graph Transformers

Neural Information Processing Systems

While tokenized graph Transformers have demonstrated strong performance in node classification tasks, their reliance on a limited subset of nodes with high similarity scores for constructing token sequences overlooks valuable information from other nodes, hindering their ability to fully harness graph information for learning optimal node representations. To address this limitation, we propose a novel graph Transformer called GCFormer. Unlike previous approaches, GCFormer develops a hybrid token generator to create two types of token sequences, positive and negative, to capture diverse graph information. And a tailored Transformer-based backbone is adopted to learn meaningful node representations from these generated token sequences. Additionally, GCFormer introduces contrastive learning to extract valuable information from both positive and negative token sequences, enhancing the quality of learned node representations. Extensive experimental results across various datasets, including homophily and heterophily graphs, demonstrate the superiority of GCFormer in node classification, when compared to representative graph neural networks (GNNs) and graph Transformers.




What Matters in Graph Class Incremental Learning An Information Preservation Perspective

Neural Information Processing Systems

Graph class incremental learning (GCIL) requires the model to classify emerging nodes of new classes while remembering old classes. Existing methods are designed to preserve effective information of old models or graph data to alleviate forgetting, but there is no clear theoretical understanding of what matters in information preservation.


415e1af7ea95f89f4e375162b21ae38c-Paper.pdf

Neural Information Processing Systems

The approximate posterior distributions of the latent variables are derived with variational inference, and the evidence lower bound is evaluated and optimized by the proposed recursive sampling scheme.



What Matters in Graph Class Incremental Learning? An Information Preservation Perspective

Neural Information Processing Systems

Graph class incremental learning (GCIL) requires the model to classify emerging nodes of new classes while remembering old classes. Existing methods are designed to preserve effective information of old models or graph data to alleviate forgetting, but there is no clear theoretical understanding of what matters in information preservation. In this paper, we consider that present practice suffers from high semantic and structural shifts assessed by two devised shift metrics. We provide insights into information preservation in GCIL and find that maintaining graph information can preserve information of old models in theory to calibrate node semantic and graph structure shifts. We correspond graph information into low-frequency local-global information and high-frequency information in spatial domain.


Maximizing and Satisficing in Multi-armed Bandits with Graph Information

Neural Information Processing Systems

Pure exploration in multi-armed bandits has emerged as an important framework for modeling decision making and search under uncertainty. In modern applications however, one is often faced with a tremendously large number of options and even obtaining one observation per option may be too costly rendering traditional pure exploration algorithms ineffective. Fortunately, one often has access to similarity relationships amongst the options that can be leveraged. In this paper, we consider the pure exploration problem in stochastic multi-armed bandits where the similarities between the arms is captured by a graph and the rewards may be represented as a smooth signal on this graph. In particular, we consider the problem of finding the arm with the maximum reward (i.e., the maximizing problem) or one that has sufficiently high reward (i.e., the satisficing problem) under this model. We propose novel algorithms GRUB (GRaph based UcB) and zeta-GRUB for these problems and provide theoretical characterization of their performance which specifically elicits the benefit of the graph side information. We also prove a lower bound on the data requirement that shows a large class of problems where these algorithms are near-optimal. We complement our theory with experimental results that show the benefit of capitalizing on such side information.



An Active Diffusion Neural Network for Graphs

arXiv.org Artificial Intelligence

The analogy to heat diffusion has enhanced our understanding of information flow in graphs and inspired the development of Graph Neural Networks (GNNs). However, most diffusion-based GNNs emulate passive heat diffusion, which still suffers from over-smoothing and limits their ability to capture global graph information. Inspired by the heat death of the universe--which posits that energy distribution becomes uniform over time in a closed system--we recognize that, without external input, node representations in a graph converge to identical feature vectors as diffusion progresses. To address this issue, we propose the Active Diffusion-based Graph Neural Network (ADGNN). ADGNN achieves active diffusion by integrating multiple external information sources that dynamically influence the diffusion process, effectively overcoming the over-smoothing problem. Furthermore, our approach realizes true infinite diffusion by directly calculating the closed-form solution of the active diffusion iterative formula. This allows nodes to preserve their unique characteristics while efficiently gaining comprehensive insights into the graph's global structure. We evaluate ADGNN against several state-of-the-art GNN models across various graph tasks. The results demonstrate that ADGNN significantly improves both accuracy and efficiency, highlighting its effectiveness in capturing global graph information and maintaining node distinctiveness.