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Collaborating Authors

 Xing, Qianli


GLADMamba: Unsupervised Graph-Level Anomaly Detection Powered by Selective State Space Model

arXiv.org Artificial Intelligence

Unsupervised graph-level anomaly detection (UGLAD) is a critical and challenging task across various domains, such as social network analysis, anti-cancer drug discovery, and toxic molecule identification. However, existing methods often struggle to capture the long-range dependencies efficiently and neglect the spectral information. Recently, selective State Space Models (SSMs), particularly Mamba, have demonstrated remarkable advantages in capturing long-range dependencies with linear complexity and a selection mechanism. Motivated by their success across various domains, we propose GLADMamba, a novel framework that adapts the selective state space model into UGLAD field. We design View-Fused Mamba (VFM) with a Mamba-Transformer-style architecture to efficiently fuse information from different views with a selective state mechanism. We also design Spectrum-Guided Mamba (SGM) with a Mamba-Transformer-style architecture to leverage the Rayleigh quotient to guide the embedding refining process. GLADMamba can dynamically focus on anomaly-related information while discarding irrelevant information for anomaly detection. To the best of our knowledge, this is the first work to introduce Mamba and explicit spectral information to UGLAD. Extensive experiments on 12 real-world datasets demonstrate that GLADMamba outperforms existing state-of-the-art methods, achieving superior performance in UGLAD. The code is available at https://github.com/Yali-F/GLADMamba.


Towards Next-Generation LLM-based Recommender Systems: A Survey and Beyond

arXiv.org Artificial Intelligence

Large language models (LLMs) have not only revolutionized the field of natural language processing (NLP) but also have the potential to bring a paradigm shift in many other fields due to their remarkable abilities of language understanding, as well as impressive generalization capabilities and reasoning skills. As a result, recent studies have actively attempted to harness the power of LLMs to improve recommender systems, and it is imperative to thoroughly review the recent advances and challenges of LLM-based recommender systems. Unlike existing work, this survey does not merely analyze the classifications of LLM-based recommendation systems according to the technical framework of LLMs. Instead, it investigates how LLMs can better serve recommendation tasks from the perspective of the recommender system community, thus enhancing the integration of large language models into the research of recommender system and its practical application. In addition, the long-standing gap between academic research and industrial applications related to recommender systems has not been well discussed, especially in the era of large language models. In this review, we introduce a novel taxonomy that originates from the intrinsic essence of recommendation, delving into the application of large language model-based recommendation systems and their industrial implementation. Specifically, we propose a three-tier structure that more accurately reflects the developmental progression of recommendation systems from research to practical implementation, including representing and understanding, scheming and utilizing, and industrial deployment. Furthermore, we discuss critical challenges and opportunities in this emerging field. A more up-to-date version of the papers is maintained at: https://github.com/jindongli-Ai/Next-Generation-LLM-based-Recommender-Systems-Survey.


HC-GLAD: Dual Hyperbolic Contrastive Learning for Unsupervised Graph-Level Anomaly Detection

arXiv.org Artificial Intelligence

Unsupervised graph-level anomaly detection (UGAD) has garnered increasing attention in recent years due to its significance. However, most existing methods only rely on traditional graph neural networks to explore pairwise relationships but such kind of pairwise edges are not enough to describe multifaceted relationships involving anomaly. There is an emergency need to exploit node group information which plays a crucial role in UGAD. In addition, most previous works ignore the global underlying properties (e.g., hierarchy and power-law structure) which are common in real-world graph datasets and therefore are indispensable factors on UGAD task. In this paper, we propose a novel Dual Hyperbolic Contrastive Learning for Unsupervised Graph-Level Anomaly Detection (HC-GLAD in short). To exploit node group connections, we construct hypergraphs based on gold motifs and subsequently perform hypergraph convolution. Furthermore, to preserve the hierarchy of real-world graphs, we introduce hyperbolic geometry into this field and conduct both graph and hypergraph embedding learning in hyperbolic space with hyperboloid model. To the best of our knowledge, this is the first work to simultaneously apply hypergraph with node group connections and hyperbolic geometry into this field. Extensive experiments on several real world datasets of different fields demonstrate the superiority of HC-GLAD on UGAD task. The code is available at https://github.com/Yali-F/HC-GLAD.


CVTGAD: Simplified Transformer with Cross-View Attention for Unsupervised Graph-level Anomaly Detection

arXiv.org Artificial Intelligence

Unsupervised graph-level anomaly detection (UGAD) has received remarkable performance in various critical disciplines, such as chemistry analysis and bioinformatics. Existing UGAD paradigms often adopt data augmentation techniques to construct multiple views, and then employ different strategies to obtain representations from different views for jointly conducting UGAD. However, most previous works only considered the relationship between nodes/graphs from a limited receptive field, resulting in some key structure patterns and feature information being neglected. In addition, most existing methods consider different views separately in a parallel manner, which is not able to explore the inter-relationship across different views directly. Thus, a method with a larger receptive field that can explore the inter-relationship across different views directly is in need. In this paper, we propose a novel Simplified Transformer with Cross-View Attention for Unsupervised Graph-level Anomaly Detection, namely, CVTGAD. To increase the receptive field, we construct a simplified transformer-based module, exploiting the relationship between nodes/graphs from both intra-graph and inter-graph perspectives. Furthermore, we design a cross-view attention mechanism to directly exploit the view co-occurrence between different views, bridging the inter-view gap at node level and graph level. To the best of our knowledge, this is the first work to apply transformer and cross attention to UGAD, which realizes graph neural network and transformer working collaboratively. Extensive experiments on 15 real-world datasets of 3 fields demonstrate the superiority of CVTGAD on the UGAD task. The code is available at \url{https://github.com/jindongli-Ai/CVTGAD}.


ADA-GNN: Atom-Distance-Angle Graph Neural Network for Crystal Material Property Prediction

arXiv.org Artificial Intelligence

Property prediction is a fundamental task in crystal material research. To model atoms and structures, structures represented as graphs are widely used and graph learning-based methods have achieved significant progress. Bond angles and bond distances are two key structural information that greatly influence crystal properties. However, most of the existing works only consider bond distances and overlook bond angles. The main challenge lies in the time cost of handling bond angles, which leads to a significant increase in inference time. To solve this issue, we first propose a crystal structure modeling based on dual scale neighbor partitioning mechanism, which uses a larger scale cutoff for edge neighbors and a smaller scale cutoff for angle neighbors. Then, we propose a novel Atom-Distance-Angle Graph Neural Network (ADA-GNN) for property prediction tasks, which can process node information and structural information separately. The accuracy of predictions and inference time are improved with the dual scale modeling and the specially designed architecture of ADA-GNN. The experimental results validate that our approach achieves state-of-the-art results in two large-scale material benchmark datasets on property prediction tasks.


PerCNet: Periodic Complete Representation for Crystal Graphs

arXiv.org Artificial Intelligence

Crystal material representation is the foundation of crystal material research. Existing works consider crystal molecules as graph data with different representation methods and leverage the advantages of techniques in graph learning. A reasonable crystal representation method should capture the local and global information. However, existing methods only consider the local information of crystal molecules by modeling the bond distance and bond angle of first-order neighbors of atoms, which leads to the issue that different crystals will have the same representation. To solve this many-to-one issue, we consider the global information by further considering dihedral angles, which can guarantee that the proposed representation corresponds one-to-one with the crystal material. We first propose a periodic complete representation and calculation algorithm for infinite extended crystal materials. A theoretical proof for the representation that satisfies the periodic completeness is provided. Based on the proposed representation, we then propose a network for predicting crystal material properties, PerCNet, with a specially designed message passing mechanism. Extensive experiments are conducted on two real-world material benchmark datasets. The PerCNet achieves the best performance among baseline methods in terms of MAE. In addition, our results demonstrate the importance of the periodic scheme and completeness for crystal representation learning.