PageRank Bandits for Link Prediction

Link prediction is a critical problem in graph learning with broad applications such as recommender systems and knowledge graph completion. Numerous research efforts have been directed at solving this problem, including approaches based on similarity metrics and Graph Neural Networks (GNN). However, most existing solutions are still rooted in conventional supervised learning, which makes it challenging to adapt over time to changing customer interests and to address the inherent dilemma of exploitation versus exploration in link prediction. To tackle these challenges, this paper reformulates link prediction as a sequential decision-making process, where each link prediction interaction occurs sequentially. We propose a novel fusion algorithm, PRB (PageRank Bandits), which is the first to combine contextual bandits with PageRank for collaborative exploitation and exploration. We also introduce a new reward formulation and provide a theoretical performance guarantee for PRB. Finally, we extensively evaluate PRB in both online and offline settings, comparing it with bandit-based and graph-based methods. The empirical success of PRB demonstrates the value of the proposed fusion approach. Our code is released at https://github.com/jiaruzouu/PRB.

Hypergraphs as Weighted Directed Self-Looped Graphs: Spectral Properties, Clustering, Cheeger Inequality

Hypergraphs naturally arise when studying group relations and have been widely used in the field of machine learning. There has not been a unified formulation of hypergraphs, yet the recently proposed edge-dependent vertex weights (EDVW) modeling is one of the most generalized modeling methods of hypergraphs, i.e., most existing hypergraphs can be formulated as EDVW hypergraphs without any information loss to the best of our knowledge. However, the relevant algorithmic developments on EDVW hypergraphs remain nascent: compared to spectral graph theories, the formulations are incomplete, the spectral clustering algorithms are not well-developed, and one result regarding hypergraph Cheeger Inequality is even incorrect. To this end, deriving a unified random walk-based formulation, we propose our definitions of hypergraph Rayleigh Quotient, NCut, boundary/cut, volume, and conductance, which are consistent with the corresponding definitions on graphs. Then, we prove that the normalized hypergraph Laplacian is associated with the NCut value, which inspires our HyperClus-G algorithm for spectral clustering on EDVW hypergraphs. Finally, we prove that HyperClus-G can always find an approximately linearly optimal partitioning in terms of Both NCut and conductance. Additionally, we provide extensive experiments to validate our theoretical findings from an empirical perspective.

Learning Graph Quantized Tokenizers for Transformers

Transformers serve as the backbone architectures of Foundational Models, where a domain-specific tokenizer helps them adapt to various domains. Graph Transformers (GTs) have recently emerged as a leading model in geometric deep learning, outperforming Graph Neural Networks (GNNs) in various graph learning tasks. However, the development of tokenizers for graphs has lagged behind other modalities, with existing approaches relying on heuristics or GNNs co-trained with Transformers. To address this, we introduce GQT (\textbf{G}raph \textbf{Q}uantized \textbf{T}okenizer), which decouples tokenizer training from Transformer training by leveraging multi-task graph self-supervised learning, yielding robust and generalizable graph tokens. Furthermore, the GQT utilizes Residual Vector Quantization (RVQ) to learn hierarchical discrete tokens, resulting in significantly reduced memory requirements and improved generalization capabilities. By combining the GQT with token modulation, a Transformer encoder achieves state-of-the-art performance on 16 out of 18 benchmarks, including large-scale homophilic and heterophilic datasets. The code is available at: https://github.com/limei0307/graph-tokenizer

Parametric Graph Representations in the Era of Foundation Models: A Survey and Position

Graphs have been widely used in the past decades of big data and AI to model comprehensive relational data. When analyzing a graph's statistical properties, graph laws serve as essential tools for parameterizing its structure. Identifying meaningful graph laws can significantly enhance the effectiveness of various applications, such as graph generation and link prediction. Facing the large-scale foundation model developments nowadays, the study of graph laws reveals new research potential, e.g., providing multi-modal information for graph neural representation learning and breaking the domain inconsistency of different graph data. In this survey, we first review the previous study of graph laws from multiple perspectives, i.e., macroscope and microscope of graphs, low-order and high-order graphs, static and dynamic graphs, different observation spaces, and newly proposed graph parameters. After we review various real-world applications benefiting from the guidance of graph laws, we conclude the paper with current challenges and future research directions.

BACKTIME: Backdoor Attacks on Multivariate Time Series Forecasting

Multivariate Time Series (MTS) forecasting is a fundamental task with numerous real-world applications, such as transportation, climate, and epidemiology. While a myriad of powerful deep learning models have been developed for this task, few works have explored the robustness of MTS forecasting models to malicious attacks, which is crucial for their trustworthy employment in high-stake scenarios. To address this gap, we dive deep into the backdoor attacks on MTS forecasting models and propose an effective attack method named BackTime.By subtly injecting a few stealthy triggers into the MTS data, BackTime can alter the predictions of the forecasting model according to the attacker's intent. Specifically, BackTime first identifies vulnerable timestamps in the data for poisoning, and then adaptively synthesizes stealthy and effective triggers by solving a bi-level optimization problem with a GNN-based trigger generator. Extensive experiments across multiple datasets and state-of-the-art MTS forecasting models demonstrate the effectiveness, versatility, and stealthiness of \method{} attacks. The code is available at \url{https://github.com/xiaolin-cs/BackTime}.

Language Models are Graph Learners

Language Models (LMs) are increasingly challenging the dominance of domain-specific models, including Graph Neural Networks (GNNs) and Graph Transformers (GTs), in graph learning tasks. Following this trend, we propose a novel approach that empowers off-the-shelf LMs to achieve performance comparable to state-of-the-art GNNs on node classification tasks, without requiring any architectural modification. By preserving the LM's original architecture, our approach retains a key benefit of LM instruction tuning: the ability to jointly train on diverse datasets, fostering greater flexibility and efficiency. To achieve this, we introduce two key augmentation strategies: (1) Enriching LMs' input using topological and semantic retrieval methods, which provide richer contextual information, and (2) guiding the LMs' classification process through a lightweight GNN classifier that effectively prunes class candidates. Our experiments on real-world datasets show that backbone Flan-T5 models equipped with these augmentation strategies outperform state-of-the-art text-output node classifiers and are comparable to top-performing vector-output node classifiers. By bridging the gap between specialized task-specific node classifiers and general LMs, this work paves the way for more versatile and widely applicable graph learning models. We will open-source the code upon publication.

Generating Fine-Grained Causality in Climate Time Series Data for Forecasting and Anomaly Detection

Understanding the causal interaction of time series variables can contribute to time series data analysis for many real-world applications, such as climate forecasting and extreme weather alerts. However, causal relationships are difficult to be fully observed in real-world complex settings, such as spatial-temporal data from deployed sensor networks. Therefore, to capture fine-grained causal relations among spatial-temporal variables for further a more accurate and reliable time series analysis, we first design a conceptual fine-grained causal model named TBN Granger Causality, which adds time-respecting Bayesian Networks to the previous time-lagged Neural Granger Causality to offset the instantaneous effects. Second, we propose an end-to-end deep generative model called TacSas, which discovers TBN Granger Causality in a generative manner to help forecast time series data and detect possible anomalies during the forecast. For evaluations, besides the causality discovery benchmark Lorenz-96, we also test TacSas on climate benchmark ERA5 for climate forecasting and the extreme weather benchmark of NOAA for extreme weather alerts.

VCR-Graphormer: A Mini-batch Graph Transformer via Virtual Connections

Graph transformer has been proven as an effective graph learning method for its adoption of attention mechanism that is capable of capturing expressive representations from complex topological and feature information of graphs. Graph transformer conventionally performs dense attention (or global attention) for every pair of nodes to learn node representation vectors, resulting in quadratic computational costs that are unaffordable for large-scale graph data. Therefore, mini-batch training for graph transformers is a promising direction, but limited samples in each mini-batch can not support effective dense attention to encode informative representations. Facing this bottleneck, (1) we start by assigning each node a token list that is sampled by personalized PageRank (PPR) and then apply standard multi-head self-attention only on this list to compute its node representations. This PPR tokenization method decouples model training from complex graph topological information and makes heavy feature engineering offline and independent, such that mini-batch training of graph transformers is possible by loading each node's token list in batches. We further prove this PPR tokenization is viable as a graph convolution network with a fixed polynomial filter and jumping knowledge. However, only using personalized PageRank may limit information carried by a token list, which could not support different graph inductive biases for model training. To this end, (2) we rewire graphs by introducing multiple types of virtual connections through structure- and content-based super nodes that enable PPR tokenization to encode local and global contexts, long-range interaction, and heterophilous information into each node's token list, and then formalize our Virtual Connection Ranking based Graph Transformer (VCR-Graphormer).

Privacy-Preserving Graph Machine Learning from Data to Computation: A Survey

In graph machine learning, data collection, sharing, and analysis often involve multiple parties, each of which may require varying levels of data security and privacy. To this end, preserving privacy is of great importance in protecting sensitive information. In the era of big data, the relationships among data entities have become unprecedentedly complex, and more applications utilize advanced data structures (i.e., graphs) that can support network structures and relevant attribute information. To date, many graph-based AI models have been proposed (e.g., graph neural networks) for various domain tasks, like computer vision and natural language processing. In this paper, we focus on reviewing privacy-preserving techniques of graph machine learning. We systematically review related works from the data to the computational aspects. We first review methods for generating privacy-preserving graph data. Then we describe methods for transmitting privacy-preserved information (e.g., graph model parameters) to realize the optimization-based computation when data sharing among multiple parties is risky or impossible. In addition to discussing relevant theoretical methodology and software tools, we also discuss current challenges and highlight several possible future research opportunities for privacy-preserving graph machine learning. Finally, we envision a unified and comprehensive secure graph machine learning system.

MentorGNN: Deriving Curriculum for Pre-Training GNNs

Graph pre-training strategies have been attracting a surge of attention in the graph mining community, due to their flexibility in parameterizing graph neural networks (GNNs) without any label information. The key idea lies in encoding valuable information into the backbone GNNs, by predicting the masked graph signals extracted from the input graphs. In order to balance the importance of diverse graph signals (e.g., nodes, edges, subgraphs), the existing approaches are mostly hand-engineered by introducing hyperparameters to re-weight the importance of graph signals. However, human interventions with sub-optimal hyperparameters often inject additional bias and deteriorate the generalization performance in the downstream applications. This paper addresses these limitations from a new perspective, i.e., deriving curriculum for pre-training GNNs. We propose an end-to-end model named MentorGNN that aims to supervise the pre-training process of GNNs across graphs with diverse structures and disparate feature spaces. To comprehend heterogeneous graph signals at different granularities, we propose a curriculum learning paradigm that automatically re-weighs graph signals in order to ensure a good generalization in the target domain. Moreover, we shed new light on the problem of domain adaption on relational data (i.e., graphs) by deriving a natural and interpretable upper bound on the generalization error of the pre-trained GNNs. Extensive experiments on a wealth of real graphs validate and verify the performance of MentorGNN.