Tongya Zheng

Runang He, Tongya Zheng, Huiling Peng et al.

Ever-evolving transaction patterns have significantly hindered anomaly detection on emerging cryptocurrency blockchains due to the vast number of addresses and diverse anomalous behaviors. Recently, advanced Graph Anomaly Detection (GAD) approaches applied to blockchains have faced two critical challenges: \textit{adversarial pattern evolution by malicious actors} and \textit{the out-of-distribution (OOD) problem caused by varied transaction semantics on blockchains}. To address these challenges, we propose a novel framework termed \textbf{TE}mporal \textbf{M}otif-aware \textbf{G}raph \textbf{T}est-\textbf{T}ime \textbf{A}daptation (\textbf{TEMG-TTA}). First, we comprehensively capture the 3-node temporal motif distribution of each active address using an efficient computational mechanism, enabling downstream temporal motif-aware graph learning. Second, we design a simple yet effective test-time adaptation strategy to facilitate the sharing of common patterns between training and testing graphs. Extensive experiments on 5 real-world datasets demonstrate that our proposed \textbf{TEMG-TTA} outperforms \textit{state-of-the-art} GAD approaches by an average of 54.88\%. A further case study on interpretable motif patterns reveals that \textbf{TEMG-TTA} explicitly characterizes the complex transaction patterns of anomalous addresses, thereby verifying the effectiveness of our technical designs. Our code will be made publicly available https://github.com/LuoXishuang0712/TEMG-TTA/.

Yu Wang, Tongya Zheng, Shunyu Liu et al.

Human mobility patterns have shown significant applications in policy-decision scenarios and economic behavior researches. The human mobility simulation task aims to generate human mobility trajectories given a small set of trajectory data, which have aroused much concern due to the scarcity and sparsity of human mobility data. Existing methods mostly rely on the static relationships of locations, while largely neglect the dynamic spatiotemporal effects of locations. On the one hand, spatiotemporal correspondences of visit distributions reveal the spatial proximity and the functionality similarity of locations. On the other hand, the varying durations in different locations hinder the iterative generation process of the mobility trajectory. Therefore, we propose a novel framework to model the dynamic spatiotemporal effects of locations, namely SpatioTemporal-Augmented gRaph neural networks (STAR). The STAR framework designs various spatiotemporal graphs to capture the spatiotemporal correspondences and builds a novel dwell branch to simulate the varying durations in locations, which is finally optimized in an adversarial manner. The comprehensive experiments over four real datasets for the human mobility simulation have verified the superiority of STAR to state-of-the-art methods. Our code is available at https://github.com/Star607/STAR-TKDE.

Tongya Zheng, Xinchao Wang, Zunlei Feng et al.

Temporal graphs exhibit dynamic interactions between nodes over continuous time, whose topologies evolve with time elapsing. The whole temporal neighborhood of nodes reveals the varying preferences of nodes. However, previous works usually generate dynamic representation with limited neighbors for simplicity, which results in both inferior performance and high latency of online inference. Therefore, in this paper, we propose a novel method of temporal graph convolution with the whole neighborhood, namely Temporal Aggregation and Propagation Graph Neural Networks (TAP-GNN). Specifically, we firstly analyze the computational complexity of the dynamic representation problem by unfolding the temporal graph in a message-passing paradigm. The expensive complexity motivates us to design the AP (aggregation and propagation) block, which significantly reduces the repeated computation of historical neighbors. The final TAP-GNN supports online inference in the graph stream scenario, which incorporates the temporal information into node embeddings with a temporal activation function and a projection layer besides several AP blocks. Experimental results on various real-life temporal networks show that our proposed TAP-GNN outperforms existing temporal graph methods by a large margin in terms of both predictive performance and online inference latency. Our code is available at \url{https://github.com/doujiang-zheng/TAP-GNN}.

Shunyu Liu, Yihe Zhou, Jie Song et al.

Value Decomposition (VD) aims to deduce the contributions of agents for decentralized policies in the presence of only global rewards, and has recently emerged as a powerful credit assignment paradigm for tackling cooperative Multi-Agent Reinforcement Learning (MARL) problems. One of the main challenges in VD is to promote diverse behaviors among agents, while existing methods directly encourage the diversity of learned agent networks with various strategies. However, we argue that these dedicated designs for agent networks are still limited by the indistinguishable VD network, leading to homogeneous agent behaviors and thus downgrading the cooperation capability. In this paper, we propose a novel Contrastive Identity-Aware learning (CIA) method, explicitly boosting the credit-level distinguishability of the VD network to break the bottleneck of multi-agent diversity. Specifically, our approach leverages contrastive learning to maximize the mutual information between the temporal credits and identity representations of different agents, encouraging the full expressiveness of credit assignment and further the emergence of individualities. The algorithm implementation of the proposed CIA module is simple yet effective that can be readily incorporated into various VD architectures. Experiments on the SMAC benchmarks and across different VD backbones demonstrate that the proposed method yields results superior to the state-of-the-art counterparts. Our code is available at https://github.com/liushunyu/CIA.

Jing Liu, Tongya Zheng, Guanzheng Zhang et al.

Graph, such as citation networks, social networks, and transportation networks, are prevalent in the real world. Graph Neural Networks (GNNs) have gained widespread attention for their robust expressiveness and exceptional performance in various graph applications. However, the efficacy of GNNs is heavily reliant on sufficient data labels and complex network models, with the former obtaining hardly and the latter computing costly. To address the labeled data scarcity and high complexity of GNNs, Knowledge Distillation (KD) has been introduced to enhance existing GNNs. This technique involves transferring the soft-label supervision of the large teacher model to the small student model while maintaining prediction performance. This survey offers a comprehensive overview of Graph-based Knowledge Distillation methods, systematically categorizing and summarizing them while discussing their limitations and future directions. This paper first introduces the background of graph and KD. It then provides a comprehensive summary of three types of Graph-based Knowledge Distillation methods, namely Graph-based Knowledge Distillation for deep neural networks (DKD), Graph-based Knowledge Distillation for GNNs (GKD), and Self-Knowledge Distillation based Graph-based Knowledge Distillation (SKD). Each type is further divided into knowledge distillation methods based on the output layer, middle layer, and constructed graph. Subsequently, various algorithms' ideas are analyzed and compared, concluding with the advantages and disadvantages of each algorithm supported by experimental results. In addition, the applications of graph-based knowledge distillation in CV, NLP, RS, and other fields are listed. Finally, the graph-based knowledge distillation is summarized and prospectively discussed. We have also released related resources at https://github.com/liujing1023/Graph-based-Knowledge-Distillation.

Tongya Zheng, Tianli Zhang, Qingzheng Guan et al.

Graph Neural Networks have emerged as an effective machine learning tool for multi-disciplinary tasks such as pharmaceutical molecule classification and chemical reaction prediction, because they can model non-euclidean relationships between different entities. Particle crushing, as a significant field of civil engineering, describes the breakage of granular materials caused by the breakage of particle fragment bonds under the modeling of numerical simulations, which motivates us to characterize the mechanical behaviors of particle crushing through the connectivity of particle fragments with Graph Neural Networks (GNNs). However, there lacks an open-source large-scale particle crushing dataset for research due to the expensive costs of laboratory tests or numerical simulations. Therefore, we firstly generate a dataset with 45,000 numerical simulations and 900 particle types to facilitate the research progress of machine learning for particle crushing. Secondly, we devise a hybrid framework based on GNNs to predict particle crushing strength in a particle fragment view with the advances of state of the art GNNs. Finally, we compare our hybrid framework against traditional machine learning methods and the plain MLP to verify its effectiveness. The usefulness of different features is further discussed through the gradient attribution explanation w.r.t the predictions. Our data and code are released at https://github.com/doujiang-zheng/GNN-For-Particle-Crushing.

Yuchen Ying, Weiqi Jiang, Tongya Zheng et al.

Knowledge graphs provide structured and reliable information for many real-world applications, motivating increasing interest in combining large language models (LLMs) with graph-based retrieval to improve factual grounding. Recent Graph-based Retrieval-Augmented Generation (GraphRAG) methods therefore introduce iterative interaction between LLMs and knowledge graphs to enhance reasoning capability. However, existing approaches typically depend on manually designed guidance and interact with knowledge graphs through a limited set of predefined tools, which substantially constrains graph exploration. To address these limitations, we propose GraphScout, a training-centric agentic graph reasoning framework equipped with more flexible graph exploration tools. GraphScout enables models to autonomously interact with knowledge graphs to synthesize structured training data which are then used to post-train LLMs, thereby internalizing agentic graph reasoning ability without laborious manual annotation or task curation. Extensive experiments across five knowledge-graph domains show that a small model (e.g., Qwen3-4B) augmented with GraphScout outperforms baseline methods built on leading LLMs (e.g., Qwen-Max) by an average of 16.7\% while requiring significantly fewer inference tokens. Moreover, GraphScout exhibits robust cross-domain transfer performance. Our code will be made publicly available~\footnote{https://github.com/Ying-Yuchen/_GraphScout_}.

Wenda Li, Kaixuan Chen, Shunyu Liu et al.

Mini-batch Graph Transformer (MGT), as an emerging graph learning model, has demonstrated significant advantages in semi-supervised node prediction tasks with improved computational efficiency and enhanced model robustness. However, existing methods for processing local information either rely on sampling or simple aggregation, which respectively result in the loss and squashing of critical neighbor information.Moreover, the limited number of nodes in each mini-batch restricts the model's capacity to capture the global characteristic of the graph. In this paper, we propose LGMformer, a novel MGT model that employs a two-stage augmented interaction strategy, transitioning from local to global perspectives, to address the aforementioned bottlenecks.The local interaction augmentation (LIA) presents a neighbor-target interaction Transformer (NTIformer) to acquire an insightful understanding of the co-interaction patterns between neighbors and the target node, resulting in a locally effective token list that serves as input for the MGT. In contrast, global interaction augmentation (GIA) adopts a cross-attention mechanism to incorporate entire graph prototypes into the target node epresentation, thereby compensating for the global graph information to ensure a more comprehensive perception. To this end, LGMformer achieves the enhancement of node representations under the MGT paradigm.Experimental results related to node classification on the ten benchmark datasets demonstrate the effectiveness of the proposed method. Our code is available at https://github.com/l-wd/LGMformer.

Shunyu Liu, Yaoru Li, Kongcheng Zhang et al.

Recent studies have delved into constructing generalist agents for open-world environments like Minecraft. Despite the encouraging results, existing efforts mainly focus on solving basic programmatic tasks, e.g., material collection and tool-crafting following the Minecraft tech-tree, treating the ObtainDiamond task as the ultimate goal. This limitation stems from the narrowly defined set of actions available to agents, requiring them to learn effective long-horizon strategies from scratch. Consequently, discovering diverse gameplay opportunities in the open world becomes challenging. In this work, we introduce Odyssey, a new framework that empowers Large Language Model (LLM)-based agents with open-world skills to explore the vast Minecraft world. Odyssey comprises three key parts: (1) An interactive agent with an open-world skill library that consists of 40 primitive skills and 183 compositional skills. (2) A fine-tuned LLaMA-3 model trained on a large question-answering dataset with 390k+ instruction entries derived from the Minecraft Wiki. (3) A new agent capability benchmark includes the long-term planning task, the dynamic-immediate planning task, and the autonomous exploration task. Extensive experiments demonstrate that the proposed Odyssey framework can effectively evaluate different capabilities of LLM-based agents. All datasets, model weights, and code are publicly available to motivate future research on more advanced autonomous agent solutions.

Yuwen Wang, Shunyu Liu, Tongya Zheng et al.

Graph Neural Networks (GNNs) have emerged as a prominent framework for graph mining, leading to significant advances across various domains. Stemmed from the node-wise representations of GNNs, existing explanation studies have embraced the subgraph-specific viewpoint that attributes the decision results to the salient features and local structures of nodes. However, graph-level tasks necessitate long-range dependencies and global interactions for advanced GNNs, deviating significantly from subgraph-specific explanations. To bridge this gap, this paper proposes a novel intrinsically interpretable scheme for graph classification, termed as Global Interactive Pattern (GIP) learning, which introduces learnable global interactive patterns to explicitly interpret decisions. GIP first tackles the complexity of interpretation by clustering numerous nodes using a constrained graph clustering module. Then, it matches the coarsened global interactive instance with a batch of self-interpretable graph prototypes, thereby facilitating a transparent graph-level reasoning process. Extensive experiments conducted on both synthetic and real-world benchmarks demonstrate that the proposed GIP yields significantly superior interpretability and competitive performance to~the state-of-the-art counterparts. Our code will be made publicly available.

Jing Liu, Tongya Zheng, Qinfen Hao

Researchers have recently proposed plenty of heterogeneous graph neural networks (HGNNs) due to the ubiquity of heterogeneous graphs in both academic and industrial areas. Instead of pursuing a more powerful HGNN model, in this paper, we are interested in devising a versatile plug-and-play module, which accounts for distilling relational knowledge from pre-trained HGNNs. To the best of our knowledge, we are the first to propose a HIgh-order RElational (HIRE) knowledge distillation framework on heterogeneous graphs, which can significantly boost the prediction performance regardless of model architectures of HGNNs. Concretely, our HIRE framework initially performs first-order node-level knowledge distillation, which encodes the semantics of the teacher HGNN with its prediction logits. Meanwhile, the second-order relation-level knowledge distillation imitates the relational correlation between node embeddings of different types generated by the teacher HGNN. Extensive experiments on various popular HGNNs models and three real-world heterogeneous graphs demonstrate that our method obtains consistent and considerable performance enhancement, proving its effectiveness and generalization ability.

Yaoquan Wei, Shunyu Liu, Jie Song et al.

Action advising endeavors to leverage supplementary guidance from expert teachers to alleviate the issue of sampling inefficiency in Deep Reinforcement Learning (DRL). Previous agent-specific action advising methods are hindered by imperfections in the agent itself, while agent-agnostic approaches exhibit limited adaptability to the learning agent. In this study, we propose a novel framework called Agent-Aware trAining yet Agent-Agnostic Action Advising (A7) to strike a balance between the two. The underlying concept of A7 revolves around utilizing the similarity of state features as an indicator for soliciting advice. However, unlike prior methodologies, the measurement of state feature similarity is performed by neither the error-prone learning agent nor the agent-agnostic advisor. Instead, we employ a proxy model to extract state features that are both discriminative (adaptive to the agent) and generally applicable (robust to agent noise). Furthermore, we utilize behavior cloning to train a model for reusing advice and introduce an intrinsic reward for the advised samples to incentivize the utilization of expert guidance. Experiments are conducted on the GridWorld, LunarLander, and six prominent scenarios from Atari games. The results demonstrate that A7 significantly accelerates the learning process and surpasses existing methods (both agent-specific and agent-agnostic) by a substantial margin. Our code will be made publicly available.

Ziyue Chen, Tongya Zheng, Mingli Song

Temporal networks are effective in capturing the evolving interactions of networks over time, such as social networks and e-commerce networks. In recent years, researchers have primarily concentrated on developing specific model architectures for Temporal Graph Neural Networks (TGNNs) in order to improve the representation quality of temporal nodes and edges. However, limited attention has been given to the quality of negative samples during the training of TGNNs. When compared with static networks, temporal networks present two specific challenges for negative sampling: positive sparsity and positive shift. Positive sparsity refers to the presence of a single positive sample amidst numerous negative samples at each timestamp, while positive shift relates to the variations in positive samples across different timestamps. To robustly address these challenges in training TGNNs, we introduce Curriculum Negative Mining (CurNM), a model-aware curriculum learning framework that adaptively adjusts the difficulty of negative samples. Within this framework, we first establish a dynamically updated negative pool that balances random, historical, and hard negatives to address the challenges posed by positive sparsity. Secondly, we implement a temporal-aware negative selection module that focuses on learning from the disentangled factors of recently active edges, thus accurately capturing shifting preferences. Finally, the selected negatives are combined with annealing random negatives to support stable training. Extensive experiments on 12 datasets and 3 TGNNs demonstrate that our method outperforms baseline methods by a significant margin. Additionally, thorough ablation studies and parameter sensitivity experiments verify the usefulness and robustness of our approach.

Yu Wang, Tongya Zheng, Yuxuan Liang et al.

Human trajectory data produced by daily mobile devices has proven its usefulness in various substantial fields such as urban planning and epidemic prevention. In terms of the individual privacy concern, human trajectory simulation has attracted increasing attention from researchers, targeting at offering numerous realistic mobility data for downstream tasks. Nevertheless, the prevalent issue of data scarcity undoubtedly degrades the reliability of existing deep learning models. In this paper, we are motivated to explore the intriguing problem of mobility transfer across cities, grasping the universal patterns of human trajectories to augment the powerful Transformer with external mobility data. There are two crucial challenges arising in the knowledge transfer across cities: 1) how to transfer the Transformer to adapt for domain heterogeneity; 2) how to calibrate the Transformer to adapt for subtly different long-tail frequency distributions of locations. To address these challenges, we have tailored a Cross-city mObiLity trAnsformer (COLA) with a dedicated model-agnostic transfer framework by effectively transferring cross-city knowledge for human trajectory simulation. Firstly, COLA divides the Transformer into the private modules for city-specific characteristics and the shared modules for city-universal mobility patterns. Secondly, COLA leverages a lightweight yet effective post-hoc adjustment strategy for trajectory simulation, without disturbing the complex bi-level optimization of model-agnostic knowledge transfer. Extensive experiments of COLA compared to state-of-the-art single-city baselines and our implemented cross-city baselines have demonstrated its superiority and effectiveness. The code is available at https://github.com/Star607/Cross-city-Mobility-Transformer.

Wenkai Fang, Shunyu Liu, Yang Zhou et al.

Recent advances have demonstrated the effectiveness of Reinforcement Learning (RL) in improving the reasoning capabilities of Large Language Models (LLMs). However, existing works inevitably rely on high-quality instructions and verifiable rewards for effective training, both of which are often difficult to obtain in specialized domains. In this paper, we propose Self-play Reinforcement Learning(SeRL) to bootstrap LLM training with limited initial data. Specifically, SeRL comprises two complementary modules: self-instruction and self-rewarding. The former module generates additional instructions based on the available data at each training step, employing robust online filtering strategies to ensure instruction quality, diversity, and difficulty. The latter module introduces a simple yet effective majority-voting mechanism to estimate response rewards for additional instructions, eliminating the need for external annotations. Finally, SeRL performs conventional RL based on the generated data, facilitating iterative self-play learning. Extensive experiments on various reasoning benchmarks and across different LLM backbones demonstrate that the proposed SeRL yields results superior to its counterparts and achieves performance on par with those obtained by high-quality data with verifiable rewards. Our code is available at https://github.com/wantbook-book/SeRL.

Zhenbang Xiao, Yu Wang, Shunyu Liu et al.

The burdensome training costs on large-scale graphs have aroused significant interest in graph condensation, which involves tuning Graph Neural Networks (GNNs) on a small condensed graph for use on the large-scale original graph. Existing methods primarily focus on aligning key metrics between the condensed and original graphs, such as gradients, output distribution and trajectories of GNNs, yielding satisfactory performance on downstream tasks. However, these complex metrics necessitate intricate external parameters and can potentially disrupt the optimization process of the condensation graph, making the condensation process highly demanding and unstable. Motivated by the recent success of simplified models across various domains, we propose a simplified approach to metric alignment in graph condensation, aiming to reduce unnecessary complexity inherited from intricate metrics. We introduce the Simple Graph Condensation (SimGC) framework, which aligns the condensed graph with the original graph from the input layer to the prediction layer, guided by a pre-trained Simple Graph Convolution (SGC) model on the original graph. Importantly, SimGC eliminates external parameters and exclusively retains the target condensed graph during the condensation process. This straightforward yet effective strategy achieves a significant speedup of up to 10 times compared to existing graph condensation methods while performing on par with state-of-the-art baselines. Comprehensive experiments conducted on seven benchmark datasets demonstrate the effectiveness of SimGC in prediction accuracy, condensation time, and generalization capability. Our code is available at https://github.com/BangHonor/SimGC.

Hanyang Yuan, Ning Tang, Tongya Zheng et al.

Diversified recommendation has attracted increasing attention from both researchers and practitioners, which can effectively address the homogeneity of recommended items. Existing approaches predominantly aim to infer the diversity of user preferences from observed user feedback. Nonetheless, due to inherent data biases, the observed data may not fully reflect user interests, where underexplored preferences can be overwhelmed or remain unmanifested. Failing to capture these preferences can lead to suboptimal diversity in recommendations. To fill this gap, this work aims to study diversified recommendation from a data-bias perspective. Inspired by the outstanding performance of large language models (LLMs) in zero-shot inference leveraging world knowledge, we propose a novel approach that utilizes LLMs' expertise to uncover underexplored user preferences from observed behavior, ultimately providing diverse and relevant recommendations. To achieve this, we first introduce Tree of Preferences (ToP), an innovative structure constructed to model user preferences from coarse to fine. ToP enables LLMs to systematically reason over the user's rationale behind their behavior, thereby uncovering their underexplored preferences. To guide diversified recommendations using uncovered preferences, we adopt a data-centric approach, identifying candidate items that match user preferences and generating synthetic interactions that reflect underexplored preferences. These interactions are integrated to train a general recommender for diversification. Moreover, we scale up overall efficiency by dynamically selecting influential users during optimization. Extensive evaluations of both diversity and relevance show that our approach outperforms existing methods in most cases and achieves near-optimal performance in others, with reasonable inference latency.

Junshu Dai, Yu Wang, Tongya Zheng et al.

The precise prediction of human mobility has produced significant socioeconomic impacts, such as location recommendations and evacuation suggestions. However, existing methods suffer from limited generalization capability: unimodal approaches are constrained by data sparsity and inherent biases, while multi-modal methods struggle to effectively capture mobility dynamics caused by the semantic gap between static multi-modal representation and spatial-temporal dynamics. Therefore, we leverage multi-modal spatial-temporal knowledge to characterize mobility dynamics for the location recommendation task, dubbed as \textbf{M}ulti-\textbf{M}odal \textbf{Mob}ility (\textbf{M}$^3$\textbf{ob}). First, we construct a unified spatial-temporal relational graph (STRG) for multi-modal representation, by leveraging the functional semantics and spatial-temporal knowledge captured by the large language models (LLMs)-enhanced spatial-temporal knowledge graph (STKG). Second, we design a gating mechanism to fuse spatial-temporal graph representations of different modalities, and propose an STKG-guided cross-modal alignment to inject spatial-temporal dynamic knowledge into the static image modality. Extensive experiments on six public datasets show that our proposed method not only achieves consistent improvements in normal scenarios but also exhibits significant generalization ability in abnormal scenarios.

Yang Zhou, Sunzhu Li, Shunyu Liu et al.

Recent advances in Large Language Models (LLMs) have underscored the potential of Reinforcement Learning (RL) to facilitate the emergence of reasoning capabilities. Despite the encouraging results, a fundamental dilemma persists as RL improvement relies on learning from high-quality samples, yet the exploration for such samples remains bounded by the inherent limitations of LLMs. This, in effect, creates an undesirable cycle in which what cannot be explored cannot be learned. In this work, we propose Rubric-Scaffolded Reinforcement Learning (RuscaRL), a novel instructional scaffolding framework designed to break the exploration bottleneck for general LLM reasoning. Specifically, RuscaRL introduces checklist-style rubrics as (1) explicit scaffolding for exploration during rollout generation, where different rubrics are provided as external guidance within task instructions to steer diverse high-quality responses. This guidance is gradually decayed over time, encouraging the model to internalize the underlying reasoning patterns; (2) verifiable rewards for exploitation during model training, where we can obtain robust LLM-as-a-Judge scores using rubrics as references, enabling effective RL on general reasoning tasks. Extensive experiments demonstrate the superiority of the proposed RuscaRL across various benchmarks, effectively expanding reasoning boundaries under the Best-of-N evaluation. Notably, RuscaRL significantly boosts Qwen2.5-7B-Instruct from 23.6 to 50.3 on HealthBench-500, surpassing GPT-4.1. Furthermore, our fine-tuned variant on Qwen3-30B-A3B-Instruct achieves 61.1 on HealthBench-500, outperforming leading LLMs including OpenAI-o3. Our code is available at https://github.com/IANNXANG/RuscaRL.

Qinghong Guo, Yu Wang, Ji Cao et al.

Road network representation learning (RNRL) has attracted increasing attention from both researchers and practitioners as various spatiotemporal tasks are emerging. Recent advanced methods leverage Graph Neural Networks (GNNs) and contrastive learning to characterize the spatial structure of road segments in a self-supervised paradigm. However, spatial heterogeneity and temporal dynamics of road networks raise severe challenges to the neighborhood smoothing mechanism of self-supervised GNNs. To address these issues, we propose a $\textbf{D}$ual-branch $\textbf{S}$patial-$\textbf{T}$emporal self-supervised representation framework for enhanced road representations, termed as DST. On one hand, DST designs a mix-hop transition matrix for graph convolution to incorporate dynamic relations of roads from trajectories. Besides, DST contrasts road representations of the vanilla road network against that of the hypergraph in a spatial self-supervised way. The hypergraph is newly built based on three types of hyperedges to capture long-range relations. On the other hand, DST performs next token prediction as the temporal self-supervised task on the sequences of traffic dynamics based on a causal Transformer, which is further regularized by differentiating traffic modes of weekdays from those of weekends. Extensive experiments against state-of-the-art methods verify the superiority of our proposed framework. Moreover, the comprehensive spatiotemporal modeling facilitates DST to excel in zero-shot learning scenarios.

Wenda Li, Tongya Zheng, Shunyu Liu et al.

Heterogeneous graphs are widely present in real-world complex networks, where the diversity of node and relation types leads to complex and rich semantics. Efforts for modeling complex relation semantics in heterogeneous graphs are restricted by the limitations of predefined semantic dependencies and the scarcity of supervised signals. The advanced pre-training and fine-tuning paradigm leverages graph structure to provide rich self-supervised signals, but introduces semantic gaps between tasks. Large Language Models (LLMs) offer significant potential to address the semantic issues of relations and tasks in heterogeneous graphs through their strong reasoning capabilities in textual modality, but their incorporation into heterogeneous graphs is largely limited by computational complexity. Therefore, in this paper, we propose an Efficient LLM-Aware (ELLA) framework for heterogeneous graphs, addressing the above issues. To capture complex relation semantics, we propose an LLM-aware Relation Tokenizer that leverages LLM to encode multi-hop, multi-type relations. To reduce computational complexity, we further employ a Hop-level Relation Graph Transformer, which help reduces the complexity of LLM-aware relation reasoning from exponential to linear. To bridge semantic gaps between pre-training and fine-tuning tasks, we introduce the fine-grained task-aware textual Chain-of-Thought (CoT) prompts. Extensive experiments on four heterogeneous graphs show that our proposed ELLA outperforms state-of-the-art methods in the performance and efficiency. In particular, ELLA scales up to 13b-parameter LLMs and achieves up to a 4x speedup compared with existing LLM-based methods. Our code is publicly available at https://github.com/l-wd/ELLA.

Ji Cao, Yu Wang, Tongya Zheng et al.

Trajectory Representation Learning (TRL) aims to encode raw trajectories into low-dimensional vectors, which can then be leveraged in various downstream tasks, including travel time estimation, location prediction, and trajectory similarity analysis. However, existing TRL methods suffer from a key oversight: treating trajectories as isolated spatio-temporal sequences, without considering the external environment and internal route choice behavior that govern their formation. To bridge this gap, we propose a novel framework that unifies comprehensive environment \textbf{P}erception and explicit \textbf{R}oute choice modeling for effective \textbf{Traj}ectory representation learning, dubbed \textbf{PRTraj}. Specifically, PRTraj first introduces an Environment Perception Module to enhance the road network by capturing multi-granularity environmental semantics from surrounding POI distributions. Building on this environment-aware backbone, a Route Choice Encoder then captures the route choice behavior inherent in each trajectory by modeling its constituent road segment transitions as a sequence of decisions. These route-choice-aware representations are finally aggregated to form the global trajectory embedding. Extensive experiments on 3 real-world datasets across 5 downstream tasks validate the effectiveness and generalizability of PRTraj. Moreover, PRTraj demonstrates strong data efficiency, maintaining robust performance under few-shot scenarios. Our code is available at: https://anonymous.4open.science/r/PRTraj.

Zhenbang Xiao, Yu Wang, Shunyu Liu et al.

Graph condensation has emerged as an intriguing technique to save the expensive training costs of Graph Neural Networks (GNNs) by substituting a condensed small graph with the original graph. Despite the promising results achieved, previous methods usually employ an entangled paradigm of redundant parameters (nodes, edges, GNNs), which incurs complex joint optimization during condensation. This paradigm has considerably impeded the scalability of graph condensation, making it challenging to condense extremely large-scale graphs and generate high-fidelity condensed graphs. Therefore, we propose to disentangle the condensation process into a two-stage GNN-free paradigm, independently condensing nodes and generating edges while eliminating the need to optimize GNNs at the same time. The node condensation module avoids the complexity of GNNs by focusing on node feature alignment with anchors of the original graph, while the edge translation module constructs the edges of the condensed nodes by transferring the original structure knowledge with neighborhood anchors. This simple yet effective approach achieves at least 10 times faster than state-of-the-art methods with comparable accuracy on medium-scale graphs. Moreover, the proposed DisCo can successfully scale up to the Ogbn-papers100M graph containing over 100 million nodes with flexible reduction rates and improves performance on the second-largest Ogbn-products dataset by over 5%. Extensive downstream tasks and ablation study on five common datasets further demonstrate the effectiveness of the proposed DisCo framework. Our code is available at https://github.com/BangHonor/DisCo.

Kaixuan Chen, Shunyu Liu, Tongtian Zhu et al.

Graph Neural Networks (GNNs) have emerged as a powerful category of learning architecture for handling graph-structured data. However, existing GNNs typically ignore crucial structural characteristics in node-induced subgraphs, which thus limits their expressiveness for various downstream tasks. In this paper, we strive to strengthen the representative capabilities of GNNs by devising a dedicated plug-and-play normalization scheme, termed as SUbgraph-sPEcific FactoR Embedded Normalization (SuperNorm), that explicitly considers the intra-connection information within each node-induced subgraph. To this end, we embed the subgraph-specific factor at the beginning and the end of the standard BatchNorm, as well as incorporate graph instance-specific statistics for improved distinguishable capabilities. In the meantime, we provide theoretical analysis to support that, with the elaborated SuperNorm, an arbitrary GNN is at least as powerful as the 1-WL test in distinguishing non-isomorphism graphs. Furthermore, the proposed SuperNorm scheme is also demonstrated to alleviate the over-smoothing phenomenon. Experimental results related to predictions of graph, node, and link properties on the eight popular datasets demonstrate the effectiveness of the proposed method. The code is available at https://github.com/chenchkx/SuperNorm.

Tongya Zheng, Zunlei Feng, Yu Wang et al.

The dynamics of temporal networks lie in the continuous interactions between nodes, which exhibit the dynamic node preferences with time elapsing. The challenges of mining temporal networks are thus two-fold: the dynamic structure of networks and the dynamic node preferences. In this paper, we investigate the dynamic graph sampling problem, aiming to capture the preference structure of nodes dynamically in cooperation with GNNs. Our proposed Dynamic Preference Structure (DPS) framework consists of two stages: structure sampling and graph fusion. In the first stage, two parameterized samplers are designed to learn the preference structure adaptively with network reconstruction tasks. In the second stage, an additional attention layer is designed to fuse two sampled temporal subgraphs of a node, generating temporal node embeddings for downstream tasks. Experimental results on many real-life temporal networks show that our DPS outperforms several state-of-the-art methods substantially owing to learning an adaptive preference structure. The code will be released soon at https://github.com/doujiang-zheng/Dynamic-Preference-Structure.

Jie Yang, Yuwen Wang, Kaixuan Chen et al.

Interpretable Graph Neural Networks (GNNs) aim to reveal the underlying reasoning behind model predictions, attributing their decisions to specific subgraphs that are informative. However, existing subgraph-based interpretable methods suffer from an overemphasis on local structure, potentially overlooking long-range dependencies within the entire graphs. Although recent efforts that rely on graph coarsening have proven beneficial for global interpretability, they inevitably reduce the graphs to a fixed granularity. Such an inflexible way can only capture graph connectivity at a specific level, whereas real-world graph tasks often exhibit relationships at varying granularities (e.g., relevant interactions in proteins span from functional groups, to amino acids, and up to protein domains). In this paper, we introduce a novel Tree-like Interpretable Framework (TIF) for graph classification, where plain GNNs are transformed into hierarchical trees, with each level featuring coarsened graphs of different granularity as tree nodes. Specifically, TIF iteratively adopts a graph coarsening module to compress original graphs (i.e., root nodes of trees) into increasingly coarser ones (i.e., child nodes of trees), while preserving diversity among tree nodes within different branches through a dedicated graph perturbation module. Finally, we propose an adaptive routing module to identify the most informative root-to-leaf paths, providing not only the final prediction but also the multi-granular interpretability for the decision-making process. Extensive experiments on the graph classification benchmarks with both synthetic and real-world datasets demonstrate the superiority of TIF in interpretability, while also delivering a competitive prediction performance akin to the state-of-the-art counterparts.

Yaoru Li, Shunyu Liu, Tongya Zheng et al.

Recent advancements in Large Language Model(LLM)-based Multi-Agent Systems(MAS) have demonstrated remarkable potential for tackling complex decision-making tasks. However, existing frameworks inevitably rely on serialized execution paradigms, where agents must complete sequential LLM planning before taking action. This fundamental constraint severely limits real-time responsiveness and adaptation, which is crucial in dynamic environments with ever-changing scenarios. In this paper, we propose a novel parallelized planning-acting framework for LLM-based MAS, featuring a dual-thread architecture with interruptible execution to enable concurrent planning and acting. Specifically, our framework comprises two core threads:(1) a planning thread driven by a centralized memory system, maintaining synchronization of environmental states and agent communication to support dynamic decision-making; and (2) an acting thread equipped with a comprehensive skill library, enabling automated task execution through recursive decomposition. Extensive experiments on challenging Minecraft demonstrate the effectiveness of the proposed framework.

Ji Cao, Tongya Zheng, Qinghong Guo et al.

Trajectory generation has garnered significant attention from researchers in the field of spatio-temporal analysis, as it can generate substantial synthesized human mobility trajectories that enhance user privacy and alleviate data scarcity. However, existing trajectory generation methods often focus on improving trajectory generation quality from a singular perspective, lacking a comprehensive semantic understanding across various scales. Consequently, we are inspired to develop a HOlistic SEmantic Representation (HOSER) framework for navigational trajectory generation. Given an origin-and-destination (OD) pair and the starting time point of a latent trajectory, we first propose a Road Network Encoder to expand the receptive field of road- and zone-level semantics. Second, we design a Multi-Granularity Trajectory Encoder to integrate the spatio-temporal semantics of the generated trajectory at both the point and trajectory levels. Finally, we employ a Destination-Oriented Navigator to seamlessly integrate destination-oriented guidance. Extensive experiments on three real-world datasets demonstrate that HOSER outperforms state-of-the-art baselines by a significant margin. Moreover, the model's performance in few-shot learning and zero-shot learning scenarios further verifies the effectiveness of our holistic semantic representation.

Yuchen Ying, Yiyang Dai, Wenda Li et al.

Subgraph matching, a cornerstone of relational pattern detection in domains ranging from biochemical systems to social network analysis, faces significant computational challenges due to the dramatically growing search space. Existing methods address this problem within a filtering-ordering-enumeration framework, in which the enumeration stage recursively matches the query graph against the candidate subgraphs of the data graph. However, the lack of awareness of subgraph structural patterns leads to a costly brute-force enumeration, thereby critically motivating the need for intelligent navigation in subgraph matching. To address this challenge, we propose Neural Graph Navigation (NeuGN), a neuro-heuristic framework that transforms brute-force enumeration into neural-guided search by integrating neural navigation mechanisms into the core enumeration process. By preserving heuristic-based completeness guarantees while incorporating neural intelligence, NeuGN significantly reduces the \textit{First Match Steps} by up to 98.2\% compared to state-of-the-art methods across six real-world datasets.

Yihe Zhou, Shunyu Liu, Yunpeng Qing et al.

Centralized Training with Decentralized Execution (CTDE) has recently emerged as a popular framework for cooperative Multi-Agent Reinforcement Learning (MARL), where agents can use additional global state information to guide training in a centralized way and make their own decisions only based on decentralized local policies. Despite the encouraging results achieved, CTDE makes an independence assumption on agent policies, which limits agents to adopt global cooperative information from each other during centralized training. Therefore, we argue that existing CTDE methods cannot fully utilize global information for training, leading to an inefficient joint-policy exploration and even suboptimal results. In this paper, we introduce a novel Centralized Advising and Decentralized Pruning (CADP) framework for multi-agent reinforcement learning, that not only enables an efficacious message exchange among agents during training but also guarantees the independent policies for execution. Firstly, CADP endows agents the explicit communication channel to seek and take advices from different agents for more centralized training. To further ensure the decentralized execution, we propose a smooth model pruning mechanism to progressively constraint the agent communication into a closed one without degradation in agent cooperation capability. Empirical evaluations on StarCraft II micromanagement and Google Research Football benchmarks demonstrate that the proposed framework achieves superior performance compared with the state-of-the-art counterparts. Our code will be made publicly available.