Wei Ju

Wei Ju, Wei Zhang, Siyu Yi et al.

Graph Neural Networks (GNNs) have shown remarkable capabilities in learning from graph-structured data with various applications such as social analysis and bioinformatics. However, the presence of label noise in real scenarios poses a significant challenge in learning robust GNNs, and their effectiveness can be severely impacted when dealing with noisy labels on graphs, often stemming from annotation errors or inconsistencies. To address this, in this paper we propose a novel approach called ICGNN that harnesses the structure information of the graph to effectively alleviate the challenges posed by noisy labels. Specifically, we first design a novel noise indicator that measures the influence contradiction score (ICS) based on the graph diffusion matrix to quantify the credibility of nodes with clean labels, such that nodes with higher ICS values are more likely to be detected as having noisy labels. Then we leverage the Gaussian mixture model to precisely detect whether the label of a node is noisy or not. Additionally, we develop a soft strategy to combine the predictions from neighboring nodes on the graph to correct the detected noisy labels. At last, pseudo-labeling for abundant unlabeled nodes is incorporated to provide auxiliary supervision signals and guide the model optimization. Experiments on benchmark datasets show the superiority of our approach over competitive baselines in noisy label scenarios.

Si-Yu Yi, Wei Ju, Yifang Qin et al. · pku

Graph clustering, which learns the node representations for effective cluster assignments, is a fundamental yet challenging task in data analysis and has received considerable attention accompanied by graph neural networks in recent years. However, most existing methods overlook the inherent relational information among the non-independent and non-identically distributed nodes in a graph. Due to the lack of exploration of relational attributes, the semantic information of the graph-structured data fails to be fully exploited which leads to poor clustering performance. In this paper, we propose a novel self-supervised deep graph clustering method named Relational Redundancy-Free Graph Clustering (R$^2$FGC) to tackle the problem. It extracts the attribute- and structure-level relational information from both global and local views based on an autoencoder and a graph autoencoder. To obtain effective representations of the semantic information, we preserve the consistent relation among augmented nodes, whereas the redundant relation is further reduced for learning discriminative embeddings. In addition, a simple yet valid strategy is utilized to alleviate the over-smoothing issue. Extensive experiments are performed on widely used benchmark datasets to validate the superiority of our R$^2$FGC over state-of-the-art baselines. Our codes are available at https://github.com/yisiyu95/R2FGC.

Wei Ju, Yifang Qin, Ziyue Qiao et al.

Point-of-Interest (POI) recommendation, which benefits from the proliferation of GPS-enabled devices and location-based social networks (LBSNs), plays an increasingly important role in recommender systems. It aims to provide users with the convenience to discover their interested places to visit based on previous visits and current status. Most existing methods usually merely leverage recurrent neural networks (RNNs) to explore sequential influences for recommendation. Despite the effectiveness, these methods not only neglect topological geographical influences among POIs, but also fail to model high-order sequential substructures. To tackle the above issues, we propose a Kernel-Based Graph Neural Network (KBGNN) for next POI recommendation, which combines the characteristics of both geographical and sequential influences in a collaborative way. KBGNN consists of a geographical module and a sequential module. On the one hand, we construct a geographical graph and leverage a message passing neural network to capture the topological geographical influences. On the other hand, we explore high-order sequential substructures in the user-aware sequential graph using a graph kernel neural network to capture user preferences. Finally, a consistency learning framework is introduced to jointly incorporate geographical and sequential information extracted from two separate graphs. In this way, the two modules effectively exchange knowledge to mutually enhance each other. Extensive experiments conducted on two real-world LBSN datasets demonstrate the superior performance of our proposed method over the state-of-the-arts. Our codes are available at https://github.com/Fang6ang/KBGNN.

Wei Ju, Zheng Fang, Yiyang Gu et al. · uw

Graph representation learning aims to effectively encode high-dimensional sparse graph-structured data into low-dimensional dense vectors, which is a fundamental task that has been widely studied in a range of fields, including machine learning and data mining. Classic graph embedding methods follow the basic idea that the embedding vectors of interconnected nodes in the graph can still maintain a relatively close distance, thereby preserving the structural information between the nodes in the graph. However, this is sub-optimal due to: (i) traditional methods have limited model capacity which limits the learning performance; (ii) existing techniques typically rely on unsupervised learning strategies and fail to couple with the latest learning paradigms; (iii) representation learning and downstream tasks are dependent on each other which should be jointly enhanced. With the remarkable success of deep learning, deep graph representation learning has shown great potential and advantages over shallow (traditional) methods, there exist a large number of deep graph representation learning techniques have been proposed in the past decade, especially graph neural networks. In this survey, we conduct a comprehensive survey on current deep graph representation learning algorithms by proposing a new taxonomy of existing state-of-the-art literature. Specifically, we systematically summarize the essential components of graph representation learning and categorize existing approaches by the ways of graph neural network architectures and the most recent advanced learning paradigms. Moreover, this survey also provides the practical and promising applications of deep graph representation learning. Last but not least, we state new perspectives and suggest challenging directions which deserve further investigations in the future.

Yusheng Zhao, Xiao Luo, Wei Ju et al.

This paper studies the problem of traffic flow forecasting, which aims to predict future traffic conditions on the basis of road networks and traffic conditions in the past. The problem is typically solved by modeling complex spatio-temporal correlations in traffic data using spatio-temporal graph neural networks (GNNs). However, the performance of these methods is still far from satisfactory since GNNs usually have limited representation capacity when it comes to complex traffic networks. Graphs, by nature, fall short in capturing non-pairwise relations. Even worse, existing methods follow the paradigm of message passing that aggregates neighborhood information linearly, which fails to capture complicated spatio-temporal high-order interactions. To tackle these issues, in this paper, we propose a novel model named Dynamic Hypergraph Structure Learning (DyHSL) for traffic flow prediction. To learn non-pairwise relationships, our DyHSL extracts hypergraph structural information to model dynamics in the traffic networks, and updates each node representation by aggregating messages from its associated hyperedges. Additionally, to capture high-order spatio-temporal relations in the road network, we introduce an interactive graph convolution block, which further models the neighborhood interaction for each node. Finally, we integrate these two views into a holistic multi-scale correlation extraction module, which conducts temporal pooling with different scales to model different temporal patterns. Extensive experiments on four popular traffic benchmark datasets demonstrate the effectiveness of our proposed DyHSL compared with a broad range of competing baselines.

Bin Feng, Tenglong Ao, Zequn Liu et al.

How to automatically synthesize natural-looking dance movements based on a piece of music is an incrementally popular yet challenging task. Most existing data-driven approaches require hard-to-get paired training data and fail to generate long sequences of motion due to error accumulation of autoregressive structure. We present a novel 3D dance synthesis system that only needs unpaired data for training and could generate realistic long-term motions at the same time. For the unpaired data training, we explore the disentanglement of beat and style, and propose a Transformer-based model free of reliance upon paired data. For the synthesis of long-term motions, we devise a new long-history attention strategy. It first queries the long-history embedding through an attention computation and then explicitly fuses this embedding into the generation pipeline via multimodal adaptation gate (MAG). Objective and subjective evaluations show that our results are comparable to strong baseline methods, despite not requiring paired training data, and are robust when inferring long-term music. To our best knowledge, we are the first to achieve unpaired data training - an ability that enables to alleviate data limitations effectively. Our code is released on https://github.com/BFeng14/RobustDancer

Wei Ju, Xiao Luo, Meng Qu et al.

This paper studies semi-supervised graph classification, a crucial task with a wide range of applications in social network analysis and bioinformatics. Recent works typically adopt graph neural networks to learn graph-level representations for classification, failing to explicitly leverage features derived from graph topology (e.g., paths). Moreover, when labeled data is scarce, these methods are far from satisfactory due to their insufficient topology exploration of unlabeled data. We address the challenge by proposing a novel semi-supervised framework called Twin Graph Neural Network (TGNN). To explore graph structural information from complementary views, our TGNN has a message passing module and a graph kernel module. To fully utilize unlabeled data, for each module, we calculate the similarity of each unlabeled graph to other labeled graphs in the memory bank and our consistency loss encourages consistency between two similarity distributions in different embedding spaces. The two twin modules collaborate with each other by exchanging instance similarity knowledge to fully explore the structure information of both labeled and unlabeled data. We evaluate our TGNN on various public datasets and show that it achieves strong performance.

Junyu Luo, Zhiping Xiao, Yifan Wang et al. · pku

Graph neural networks (GNNs) have achieved impressive performance in graph domain adaptation. However, extensive source graphs could be unavailable in real-world scenarios due to privacy and storage concerns. To this end, we investigate an underexplored yet practical problem of source-free graph domain adaptation, which transfers knowledge from source models instead of source graphs to a target domain. To solve this problem, we introduce a novel GNN-based approach called Rank and Align (RNA), which ranks graph similarities with spectral seriation for robust semantics learning, and aligns inharmonic graphs with harmonic graphs which close to the source domain for subgraph extraction. In particular, to overcome label scarcity, we employ the spectral seriation algorithm to infer the robust pairwise rankings, which can guide semantic learning using a similarity learning objective. To depict distribution shifts, we utilize spectral clustering and the silhouette coefficient to detect harmonic graphs, which the source model can easily classify. To reduce potential domain discrepancy, we extract domain-invariant subgraphs from inharmonic graphs by an adversarial edge sampling process, which guides the invariant learning of GNNs. Extensive experiments on several benchmark datasets demonstrate the effectiveness of our proposed RNA.

Siyu Yi, Zhengyang Mao, Wei Ju et al. · pku

Graph classification, aiming at learning the graph-level representations for effective class assignments, has received outstanding achievements, which heavily relies on high-quality datasets that have balanced class distribution. In fact, most real-world graph data naturally presents a long-tailed form, where the head classes occupy much more samples than the tail classes, it thus is essential to study the graph-level classification over long-tailed data while still remaining largely unexplored. However, most existing long-tailed learning methods in visions fail to jointly optimize the representation learning and classifier training, as well as neglect the mining of the hard-to-classify classes. Directly applying existing methods to graphs may lead to sub-optimal performance, since the model trained on graphs would be more sensitive to the long-tailed distribution due to the complex topological characteristics. Hence, in this paper, we propose a novel long-tailed graph-level classification framework via Collaborative Multi-expert Learning (CoMe) to tackle the problem. To equilibrate the contributions of head and tail classes, we first develop balanced contrastive learning from the view of representation learning, and then design an individual-expert classifier training based on hard class mining. In addition, we execute gated fusion and disentangled knowledge distillation among the multiple experts to promote the collaboration in a multi-expert framework. Comprehensive experiments are performed on seven widely-used benchmark datasets to demonstrate the superiority of our method CoMe over state-of-the-art baselines.

Yifang Qin, Yifan Wang, Fang Sun et al.

Point-of-Interest (POI) recommendation plays a vital role in various location-aware services. It has been observed that POI recommendation is driven by both sequential and geographical influences. However, since there is no annotated label of the dominant influence during recommendation, existing methods tend to entangle these two influences, which may lead to sub-optimal recommendation performance and poor interpretability. In this paper, we address the above challenge by proposing DisenPOI, a novel Disentangled dual-graph framework for POI recommendation, which jointly utilizes sequential and geographical relationships on two separate graphs and disentangles the two influences with self-supervision. The key novelty of our model compared with existing approaches is to extract disentangled representations of both sequential and geographical influences with contrastive learning. To be specific, we construct a geographical graph and a sequential graph based on the check-in sequence of a user. We tailor their propagation schemes to become sequence-/geo-aware to better capture the corresponding influences. Preference proxies are extracted from check-in sequence as pseudo labels for the two influences, which supervise the disentanglement via a contrastive loss. Extensive experiments on three datasets demonstrate the superiority of the proposed model.

Wei Ju, Junwei Yang, Meng Qu et al.

This paper studies semi-supervised graph classification, which is an important problem with various applications in social network analysis and bioinformatics. This problem is typically solved by using graph neural networks (GNNs), which yet rely on a large number of labeled graphs for training and are unable to leverage unlabeled graphs. We address the limitations by proposing the Kernel-based Graph Neural Network (KGNN). A KGNN consists of a GNN-based network as well as a kernel-based network parameterized by a memory network. The GNN-based network performs classification through learning graph representations to implicitly capture the similarity between query graphs and labeled graphs, while the kernel-based network uses graph kernels to explicitly compare each query graph with all the labeled graphs stored in a memory for prediction. The two networks are motivated from complementary perspectives, and thus combing them allows KGNN to use labeled graphs more effectively. We jointly train the two networks by maximizing their agreement on unlabeled graphs via posterior regularization, so that the unlabeled graphs serve as a bridge to let both networks mutually enhance each other. Experiments on a range of well-known benchmark datasets demonstrate that KGNN achieves impressive performance over competitive baselines.

Wei Ju, Yiyang Gu, Binqi Chen et al.

This paper studies the problem of graph-level clustering, which is a novel yet challenging task. This problem is critical in a variety of real-world applications such as protein clustering and genome analysis in bioinformatics. Recent years have witnessed the success of deep clustering coupled with graph neural networks (GNNs). However, existing methods focus on clustering among nodes given a single graph, while exploring clustering on multiple graphs is still under-explored. In this paper, we propose a general graph-level clustering framework named Graph-Level Contrastive Clustering (GLCC) given multiple graphs. Specifically, GLCC first constructs an adaptive affinity graph to explore instance- and cluster-level contrastive learning (CL). Instance-level CL leverages graph Laplacian based contrastive loss to learn clustering-friendly representations while cluster-level CL captures discriminative cluster representations incorporating neighbor information of each sample. Moreover, we utilize neighbor-aware pseudo-labels to reward the optimization of representation learning. The two steps can be alternatively trained to collaborate and benefit each other. Experiments on a range of well-known datasets demonstrate the superiority of our proposed GLCC over competitive baselines.

Chengwu Liu, Jianhao Shen, Huajian Xin et al.

We present FIMO, an innovative dataset comprising formal mathematical problem statements sourced from the International Mathematical Olympiad (IMO) Shortlisted Problems. Designed to facilitate advanced automated theorem proving at the IMO level, FIMO is currently tailored for the Lean formal language. It comprises 149 formal problem statements, accompanied by both informal problem descriptions and their corresponding LaTeX-based informal proofs. Through initial experiments involving GPT-4, our findings underscore the existing limitations in current methodologies, indicating a substantial journey ahead before achieving satisfactory IMO-level automated theorem proving outcomes.

Jingyang Yuan, Xiao Luo, Yifang Qin et al.

Node classification on graphs is a significant task with a wide range of applications, including social analysis and anomaly detection. Even though graph neural networks (GNNs) have produced promising results on this task, current techniques often presume that label information of nodes is accurate, which may not be the case in real-world applications. To tackle this issue, we investigate the problem of learning on graphs with label noise and develop a novel approach dubbed Consistent Graph Neural Network (CGNN) to solve it. Specifically, we employ graph contrastive learning as a regularization term, which promotes two views of augmented nodes to have consistent representations. Since this regularization term cannot utilize label information, it can enhance the robustness of node representations to label noise. Moreover, to detect noisy labels on the graph, we present a sample selection technique based on the homophily assumption, which identifies noisy nodes by measuring the consistency between the labels with their neighbors. Finally, we purify these confident noisy labels to permit efficient semantic graph learning. Extensive experiments on three well-known benchmark datasets demonstrate the superiority of our CGNN over competing approaches.

Yifan Wang, Xiao Luo, Chong Chen et al.

Graph classification is a critical task in numerous multimedia applications, where graphs are employed to represent diverse types of multimedia data, including images, videos, and social networks. Nevertheless, in real-world scenarios, labeled graph data can be limited or scarce. To address this issue, we focus on the problem of semi-supervised graph classification, which involves both supervised and unsupervised models learning from labeled and unlabeled data. In contrast to recent approaches that transfer the entire knowledge from the unsupervised model to the supervised one, we argue that an effective transfer should only retain the relevant semantics that align well with the supervised task. In this paper, we propose a novel framework named DisenSemi, which learns disentangled representation for semi-supervised graph classification. Specifically, a disentangled graph encoder is proposed to generate factor-wise graph representations for both supervised and unsupervised models. Then we train two models via supervised objective and mutual information (MI)-based constraints respectively. To ensure the meaningful transfer of knowledge from the unsupervised encoder to the supervised one, we further define an MI-based disentangled consistency regularization between two models and identify the corresponding rationale that aligns well with the current graph classification task. Experimental results on a range of publicly accessible datasets reveal the effectiveness of our DisenSemi.

Zhengyang Mao, Wei Ju, Yifang Qin et al.

Graph classification is a crucial task in many real-world multimedia applications, where graphs can represent various multimedia data types such as images, videos, and social networks. Previous efforts have applied graph neural networks (GNNs) in balanced situations where the class distribution is balanced. However, real-world data typically exhibit long-tailed class distributions, resulting in a bias towards the head classes when using GNNs and limited generalization ability over the tail classes. Recent approaches mainly focus on re-balancing different classes during model training, which fails to explicitly introduce new knowledge and sacrifices the performance of the head classes. To address these drawbacks, we propose a novel framework called Retrieval Augmented Hybrid Network (RAHNet) to jointly learn a robust feature extractor and an unbiased classifier in a decoupled manner. In the feature extractor training stage, we develop a graph retrieval module to search for relevant graphs that directly enrich the intra-class diversity for the tail classes. Moreover, we innovatively optimize a category-centered supervised contrastive loss to obtain discriminative representations, which is more suitable for long-tailed scenarios. In the classifier fine-tuning stage, we balance the classifier weights with two weight regularization techniques, i.e., Max-norm and weight decay. Experiments on various popular benchmarks verify the superiority of the proposed method against state-of-the-art approaches.

Jingyang Yuan, Xiao Luo, Yifang Qin et al.

Graph Neural Networks (GNNs) have garnered considerable interest due to their exceptional performance in a wide range of graph machine learning tasks. Nevertheless, the majority of GNN-based approaches have been examined using well-annotated benchmark datasets, leading to suboptimal performance in real-world graph learning scenarios. To bridge this gap, the present paper investigates the problem of graph transfer learning in the presence of label noise, which transfers knowledge from a noisy source graph to an unlabeled target graph. We introduce a novel technique termed Balance Alignment and Information-aware Examination (ALEX) to address this challenge. ALEX first employs singular value decomposition to generate different views with crucial structural semantics, which help provide robust node representations using graph contrastive learning. To mitigate both label shift and domain shift, we estimate a prior distribution to build subgraphs with balanced label distributions. Building on this foundation, an adversarial domain discriminator is incorporated for the implicit domain alignment of complex multi-modal distributions. Furthermore, we project node representations into a different space, optimizing the mutual information between the projected features and labels. Subsequently, the inconsistency of similarity structures is evaluated to identify noisy samples with potential overfitting. Comprehensive experiments on various benchmark datasets substantiate the outstanding superiority of the proposed ALEX in different settings.

Xiao Luo, Yiyang Gu, Huiyu Jiang et al.

This paper studies the problem of modeling multi-agent dynamical systems, where agents could interact mutually to influence their behaviors. Recent research predominantly uses geometric graphs to depict these mutual interactions, which are then captured by powerful graph neural networks (GNNs). However, predicting interacting dynamics in challenging scenarios such as out-of-distribution shift and complicated underlying rules remains unsolved. In this paper, we propose a new approach named Prototypical Graph ODE (PGODE) to address the problem. The core of PGODE is to incorporate prototype decomposition from contextual knowledge into a continuous graph ODE framework. Specifically, PGODE employs representation disentanglement and system parameters to extract both object-level and system-level contexts from historical trajectories, which allows us to explicitly model their independent influence and thus enhances the generalization capability under system changes. Then, we integrate these disentangled latent representations into a graph ODE model, which determines a combination of various interacting prototypes for enhanced model expressivity. The entire model is optimized using an end-to-end variational inference framework to maximize the likelihood. Extensive experiments in both in-distribution and out-of-distribution settings validate the superiority of PGODE compared to various baselines.

Le Ma, Ran Zhang, Yikun Han et al.

Vector databases (VDBs) have emerged to manage high-dimensional data that exceed the capabilities of traditional database management systems, and are now tightly integrated with large language models as well as widely applied in modern artificial intelligence systems. Although relatively few studies describe existing or introduce new vector database architectures, the core technologies underlying VDBs, such as approximate nearest neighbor search, have been extensively studied and are well documented in the literature. In this work, we present a comprehensive review of the relevant algorithms to provide a general understanding of this booming research area. Specifically, we first provide a review of storage and retrieval techniques in VDBs, with detailed design principles and technological evolution. Then, we conduct an in-depth comparison of several advanced VDB solutions with their strengths, limitations, and typical application scenarios. Finally, we also outline emerging opportunities for coupling VDBs with large language models, including open research problems and trends, such as novel indexing strategies. This survey aims to serve as a practical resource, enabling readers to quickly gain an overall understanding of the current knowledge landscape in this rapidly developing area.

Junyu Luo, Weizhi Zhang, Ye Yuan et al. · pku

The era of intelligent agents is upon us, driven by revolutionary advancements in large language models. Large Language Model (LLM) agents, with goal-driven behaviors and dynamic adaptation capabilities, potentially represent a critical pathway toward artificial general intelligence. This survey systematically deconstructs LLM agent systems through a methodology-centered taxonomy, linking architectural foundations, collaboration mechanisms, and evolutionary pathways. We unify fragmented research threads by revealing fundamental connections between agent design principles and their emergent behaviors in complex environments. Our work provides a unified architectural perspective, examining how agents are constructed, how they collaborate, and how they evolve over time, while also addressing evaluation methodologies, tool applications, practical challenges, and diverse application domains. By surveying the latest developments in this rapidly evolving field, we offer researchers a structured taxonomy for understanding LLM agents and identify promising directions for future research. The collection is available at https://github.com/luo-junyu/Awesome-Agent-Papers.

Haotian Chen, Qingqing Long, Siyu Pu et al.

With the rapid growth of scientific literature, scientific question answering (SciQA) has become increasingly critical for exploring and utilizing scientific knowledge. Retrieval-Augmented Generation (RAG) enhances LLMs by incorporating knowledge from external sources, thereby providing credible evidence for scientific question answering. But existing retrieval and reranking methods remain vulnerable to passages that are semantically similar but logically irrelevant, often reducing factual reliability and amplifying hallucinations.To address this challenge, we propose a Deep Evidence Reranking Agent (DeepEra) that integrates step-by-step reasoning, enabling more precise evaluation of candidate passages beyond surface-level semantics. To support systematic evaluation, we construct SciRAG-SSLI (Scientific RAG - Semantically Similar but Logically Irrelevant), a large-scale dataset comprising about 300K SciQA instances across 10 subjects, constructed from 10M scientific corpus. The dataset combines naturally retrieved contexts with systematically generated distractors to test logical robustness and factual grounding. Comprehensive evaluations confirm that our approach achieves superior retrieval performance compared to leading rerankers. To our knowledge, this work is the first to comprehensively study and empirically validate innegligible SSLI issues in two-stage RAG frameworks.

Junyu Luo, Bohan Wu, Xiao Luo et al. · pku

Post-training of Large Language Models (LLMs) is crucial for unlocking their task generalization potential and domain-specific capabilities. However, the current LLM post-training paradigm faces significant data challenges, including the high costs of manual annotation and diminishing marginal returns on data scales. Therefore, achieving data-efficient post-training has become a key research question. In this paper, we present the first systematic survey of data-efficient LLM post-training from a data-centric perspective. We propose a taxonomy of data-efficient LLM post-training methods, covering data selection, data quality enhancement, synthetic data generation, data distillation and compression, and self-evolving data ecosystems. We summarize representative approaches in each category and outline future research directions. By examining the challenges in data-efficient LLM post-training, we highlight open problems and propose potential research avenues. We hope our work inspires further exploration into maximizing the potential of data utilization in large-scale model training. Paper List: https://github.com/luo-junyu/Awesome-Data-Efficient-LLM

Yifang Qin, Zhaobin Li, Arisa Watanabe et al.

Generative methods have gained widespread attention in Collaborative Filtering (CF) tasks for their ability to produce high-quality personalized samples aligned with users' interests. Among them, diffusion generative models have raised increasing attention in recommendation field. Despite that the pioneering efforts have applied the conventional diffusion process to model diffusive user interests, the incongruity between the Gaussian noise and the subtle nature of user's personalized interaction behavior has led to sub-optimal results. To this end, we introduce a specifically-tailored diffusion scheme for interaction systems, namely the interests burn-down process. The interests burn-down process delineates the decay of user interests towards candidate items, complemented by its reverse burn-up process that yields personalized recommendation for users. The inherent burn-down nature of this process adeptly models the diffusive user interests, aligning seamlessly with the requirements of CF tasks. We present a novel recommendation method StageCF to illustrate the superiority of this newly proposed diffusion process. Experimental results have demonstrated the effectiveness of StageCF against existing generative and diffusion-based baseline methods. Furthermore, comprehensive studies validate the functionality of interests burn-down process, shedding light on its capacity to generate personalized interactions.

Wei Ju, Siyu Yi, Yifan Wang et al.

Graph-structured data exhibits universality and widespread applicability across diverse domains, such as social network analysis, biochemistry, financial fraud detection, and network security. Significant strides have been made in leveraging Graph Neural Networks (GNNs) to achieve remarkable success in these areas. However, in real-world scenarios, the training environment for models is often far from ideal, leading to substantial performance degradation of GNN models due to various unfavorable factors, including imbalance in data distribution, the presence of noise in erroneous data, privacy protection of sensitive information, and generalization capability for out-of-distribution (OOD) scenarios. To tackle these issues, substantial efforts have been devoted to improving the performance of GNN models in practical real-world scenarios, as well as enhancing their reliability and robustness. In this paper, we present a comprehensive survey that systematically reviews existing GNN models, focusing on solutions to the four mentioned real-world challenges including imbalance, noise, privacy, and OOD in practical scenarios that many existing reviews have not considered. Specifically, we first highlight the four key challenges faced by existing GNNs, paving the way for our exploration of real-world GNN models. Subsequently, we provide detailed discussions on these four aspects, dissecting how these solutions contribute to enhancing the reliability and robustness of GNN models. Last but not least, we outline promising directions and offer future perspectives in the field.

Wei Ju, Yifan Wang, Yifang Qin et al. · pku

In recent years, deep learning on graphs has achieved remarkable success in various domains. However, the reliance on annotated graph data remains a significant bottleneck due to its prohibitive cost and time-intensive nature. To address this challenge, self-supervised learning (SSL) on graphs has gained increasing attention and has made significant progress. SSL enables machine learning models to produce informative representations from unlabeled graph data, reducing the reliance on expensive labeled data. While SSL on graphs has witnessed widespread adoption, one critical component, Graph Contrastive Learning (GCL), has not been thoroughly investigated in the existing literature. Thus, this survey aims to fill this gap by offering a dedicated survey on GCL. We provide a comprehensive overview of the fundamental principles of GCL, including data augmentation strategies, contrastive modes, and contrastive optimization objectives. Furthermore, we explore the extensions of GCL to other aspects of data-efficient graph learning, such as weakly supervised learning, transfer learning, and related scenarios. We also discuss practical applications spanning domains such as drug discovery, genomics analysis, recommender systems, and finally outline the challenges and potential future directions in this field.

Wei Ju, Yusheng Zhao, Yifang Qin et al.

This paper investigates traffic forecasting, which attempts to forecast the future state of traffic based on historical situations. This problem has received ever-increasing attention in various scenarios and facilitated the development of numerous downstream applications such as urban planning and transportation management. However, the efficacy of existing methods remains sub-optimal due to their tendency to model temporal and spatial relationships independently, thereby inadequately accounting for complex high-order interactions of both worlds. Moreover, the diversity of transitional patterns in traffic forecasting makes them challenging to capture for existing approaches, warranting a deeper exploration of their diversity. Toward this end, this paper proposes Conjoint Spatio-Temporal graph neural network (abbreviated as COOL), which models heterogeneous graphs from prior and posterior information to conjointly capture high-order spatio-temporal relationships. On the one hand, heterogeneous graphs connecting sequential observation are constructed to extract composite spatio-temporal relationships via prior message passing. On the other hand, we model dynamic relationships using constructed affinity and penalty graphs, which guide posterior message passing to incorporate complementary semantic information into node representations. Moreover, to capture diverse transitional properties to enhance traffic forecasting, we propose a conjoint self-attention decoder that models diverse temporal patterns from both multi-rank and multi-scale views. Experimental results on four popular benchmark datasets demonstrate that our proposed COOL provides state-of-the-art performance compared with the competitive baselines.

Wei Ju, Siyu Yi, Yifan Wang et al. · pku

Graph-structured data, prevalent in domains ranging from social networks to biochemical analysis, serve as the foundation for diverse real-world systems. While graph neural networks demonstrate proficiency in modeling this type of data, their success is often reliant on significant amounts of labeled data, posing a challenge in practical scenarios with limited annotation resources. To tackle this problem, tremendous efforts have been devoted to enhancing graph machine learning performance under low-resource settings by exploring various approaches to minimal supervision. In this paper, we introduce a novel concept of Data-Efficient Graph Learning (DEGL) as a research frontier, and present the first survey that summarizes the current progress of DEGL. We initiate by highlighting the challenges inherent in training models with large labeled data, paving the way for our exploration into DEGL. Next, we systematically review recent advances on this topic from several key aspects, including self-supervised graph learning, semi-supervised graph learning, and few-shot graph learning. Also, we state promising directions for future research, contributing to the evolution of graph machine learning.

Wei Ju, Zhengyang Mao, Siyu Yi et al.

In this paper, we study semi-supervised graph classification, which aims at accurately predicting the categories of graphs in scenarios with limited labeled graphs and abundant unlabeled graphs. Despite the promising capability of graph neural networks (GNNs), they typically require a large number of costly labeled graphs, while a wealth of unlabeled graphs fail to be effectively utilized. Moreover, GNNs are inherently limited to encoding local neighborhood information using message-passing mechanisms, thus lacking the ability to model higher-order dependencies among nodes. To tackle these challenges, we propose a Hypergraph-Enhanced DuAL framework named HEAL for semi-supervised graph classification, which captures graph semantics from the perspective of the hypergraph and the line graph, respectively. Specifically, to better explore the higher-order relationships among nodes, we design a hypergraph structure learning to adaptively learn complex node dependencies beyond pairwise relations. Meanwhile, based on the learned hypergraph, we introduce a line graph to capture the interaction between hyperedges, thereby better mining the underlying semantic structures. Finally, we develop a relational consistency learning to facilitate knowledge transfer between the two branches and provide better mutual guidance. Extensive experiments on real-world graph datasets verify the effectiveness of the proposed method against existing state-of-the-art methods.

Wei Ju, Yiyang Gu, Zhengyang Mao et al.

Self-supervised graph representation learning has recently shown considerable promise in a range of fields, including bioinformatics and social networks. A large number of graph contrastive learning approaches have shown promising performance for representation learning on graphs, which train models by maximizing agreement between original graphs and their augmented views (i.e., positive views). Unfortunately, these methods usually involve pre-defined augmentation strategies based on the knowledge of human experts. Moreover, these strategies may fail to generate challenging positive views to provide sufficient supervision signals. In this paper, we present a novel approach named Graph Pooling ContraSt (GPS) to address these issues. Motivated by the fact that graph pooling can adaptively coarsen the graph with the removal of redundancy, we rethink graph pooling and leverage it to automatically generate multi-scale positive views with varying emphasis on providing challenging positives and preserving semantics, i.e., strongly-augmented view and weakly-augmented view. Then, we incorporate both views into a joint contrastive learning framework with similarity learning and consistency learning, where our pooling module is adversarially trained with respect to the encoder for adversarial robustness. Experiments on twelve datasets on both graph classification and transfer learning tasks verify the superiority of the proposed method over its counterparts.

Hourun Li, Yifan Wang, Zhiping Xiao et al.

Recommender systems are widely used in various real-world applications, but they often encounter the persistent challenge of the user cold-start problem. Cross-domain recommendation (CDR), which leverages user interactions from one domain to improve prediction performance in another, has emerged as a promising solution. However, users with similar preferences in the source domain may exhibit different interests in the target domain. Therefore, directly transferring embeddings may introduce irrelevant source-domain collaborative information. In this paper, we propose a novel graph-based disentangled contrastive learning framework to capture fine-grained user intent and filter out irrelevant collaborative information, thereby avoiding negative transfer. Specifically, for each domain, we use a multi-channel graph encoder to capture diverse user intents. We then construct the affinity graph in the embedding space and perform multi-step random walks to capture high-order user similarity relationships. Treating one domain as the target, we propose a disentangled intent-wise contrastive learning approach, guided by user similarity, to refine the bridging of user intents across domains. Extensive experiments on four benchmark CDR datasets demonstrate that DisCo consistently outperforms existing state-of-the-art baselines, thereby validating the effectiveness of both DisCo and its components.

Junyu Luo, Yiyang Gu, Xiao Luo et al. · pku

Source-free domain adaptation is a crucial machine learning topic, as it contains numerous applications in the real world, particularly with respect to data privacy. Existing approaches predominantly focus on Euclidean data, such as images and videos, while the exploration of non-Euclidean graph data remains scarce. Recent graph neural network (GNN) approaches can suffer from serious performance decline due to domain shift and label scarcity in source-free adaptation scenarios. In this study, we propose a novel method named Graph Diffusion-based Alignment with Jigsaw (GALA), tailored for source-free graph domain adaptation. To achieve domain alignment, GALA employs a graph diffusion model to reconstruct source-style graphs from target data. Specifically, a score-based graph diffusion model is trained using source graphs to learn the generative source styles. Then, we introduce perturbations to target graphs via a stochastic differential equation instead of sampling from a prior, followed by the reverse process to reconstruct source-style graphs. We feed the source-style graphs into an off-the-shelf GNN and introduce class-specific thresholds with curriculum learning, which can generate accurate and unbiased pseudo-labels for target graphs. Moreover, we develop a simple yet effective graph-mixing strategy named graph jigsaw to combine confident graphs and unconfident graphs, which can enhance generalization capabilities and robustness via consistency learning. Extensive experiments on benchmark datasets validate the effectiveness of GALA.

Boyang Fan, Hengchuang Yin, Siyu Yi et al.

Motivation: Multi-omics integration can improve cancer subtyping, but modality informativeness and noise vary across cancer types and patients. Existing graph-based methods optimize modality weights jointly with the classification objective and therefore lack independent reliability estimates, so low-quality omics distort patient similarity graphs and amplify noise through message passing. Results: We propose CMGL, a two-stage framework that estimates per-sample modality reliability through evidential deep learning and uses the frozen confidence scores to guide cross-omics fusion and graph construction. On four MLOmics cancer-subtype tasks and the 32-class pan-cancer task, CMGL consistently improves over the strongest baseline, surpassing it by 4.03% in average accuracy on the four single-cancer tasks. Its representations recover the PAM50 intrinsic subtypes of breast invasive carcinoma (BRCA), and the BRCA-trained model transfers without fine-tuning to kidney renal clear cell carcinoma (KIRC), stratifying patients into prognostically distinct groups.

Wei Ju, Zhengyang Mao, Siyu Yi et al.

This paper studies the problem of class-imbalanced graph classification, which aims at effectively classifying the graph categories in scenarios with imbalanced class distributions. While graph neural networks (GNNs) have achieved remarkable success, their modeling ability on imbalanced graph-structured data remains suboptimal, which typically leads to predictions biased towards the majority classes. On the other hand, existing class-imbalanced learning methods in vision may overlook the rich graph semantic substructures of the majority classes and excessively emphasize learning from the minority classes. To address these challenges, we propose a simple yet powerful approach called C$^3$GNN that integrates the idea of clustering into contrastive learning to enhance class-imbalanced graph classification. Technically, C$^3$GNN clusters graphs from each majority class into multiple subclasses, with sizes comparable to the minority class, mitigating class imbalance. It also employs the Mixup technique to generate synthetic samples, enriching the semantic diversity of each subclass. Furthermore, supervised contrastive learning is used to hierarchically learn effective graph representations, enabling the model to thoroughly explore semantic substructures in majority classes while avoiding excessive focus on minority classes. Extensive experiments on real-world graph benchmark datasets verify the superior performance of our proposed method against competitive baselines.

Zhiyuan Ning, Zaitian Wang, Ran Zhang et al.

Graph clustering aims to divide the graph into different clusters. The recently emerging deep graph clustering approaches are largely built on graph neural networks (GNN). However, GNN is designed for general graph encoding and there is a common issue of representation collapse in existing GNN-based deep graph clustering algorithms. We attribute two main reasons for such issues: (i) the inductive bias of GNN models: GNNs tend to generate similar representations for proximal nodes. Since graphs often contain a non-negligible amount of inter-cluster links, the bias results in error message passing and leads to biased clustering; (ii) the clustering guided loss function: most traditional approaches strive to make all samples closer to pre-learned cluster centers, which causes a degenerate solution assigning all data points to a single label thus making all samples similar and less discriminative. To address these challenges, we investigate graph clustering from a graph cut perspective and propose an innovative and non-GNN-based Deep Cut-informed Graph embedding and Clustering framework, namely DCGC. This framework includes two modules: (i) cut-informed graph encoding; (ii) self-supervised graph clustering via optimal transport. For the encoding module, we derive a cut-informed graph embedding objective to fuse graph structure and attributes by minimizing their joint normalized cut. For the clustering module, we utilize the optimal transport theory to obtain the clustering assignments, which can balance the guidance of "proximity to the pre-learned cluster center". With the above two tailored designs, DCGC is more suitable for the graph clustering task, which can effectively alleviate the problem of representation collapse and achieve better performance. We conduct extensive experiments to demonstrate that our method is simple but effective compared with benchmarks.

Junyu Luo, Xiao Luo, Xiusi Chen et al. · pku

Supervised fine-tuning (SFT) is crucial in adapting large language model (LLMs) to a specific domain or task. However, only a limited amount of labeled data is available in practical applications, which poses a severe challenge for SFT in yielding satisfactory results. Therefore, a data-efficient framework that can fully exploit labeled and unlabeled data for LLM fine-tuning is highly anticipated.Towards this end, we introduce a semi-supervised fine-tuning(SemiFT) task and a framework named SemiEvol for LLM alignment from a propagate-and-select manner. For knowledge propagation, SemiEvol adopts a bi-level approach, propagating knowledge from labeled data to unlabeled data through both in-weight and in-context methods. For knowledge selection, SemiEvol incorporates a collaborative learning mechanism, selecting higher-quality pseudo-response samples. We conducted experiments using GPT-4o-mini and Llama-3.1 on seven general or domain-specific datasets, demonstrating significant improvements in model performance on target data. Furthermore, we compared SemiEvol with SFT and self-evolution methods, highlighting its practicality in hybrid data scenarios.

Kangjie Zheng, Siyue Liang, Junwei Yang et al.

SMILES, a crucial textual representation of molecular structures, has garnered significant attention as a foundation for pre-trained language models (LMs). However, most existing pre-trained SMILES LMs focus solely on the single-token level supervision during pre-training, failing to fully leverage the substructural information of molecules. This limitation makes the pre-training task overly simplistic, preventing the models from capturing richer molecular semantic information. Moreover, during pre-training, these SMILES LMs only process corrupted SMILES inputs, never encountering any valid SMILES, which leads to a train-inference mismatch. To address these challenges, we propose SMI-Editor, a novel edit-based pre-trained SMILES LM. SMI-Editor disrupts substructures within a molecule at random and feeds the resulting SMILES back into the model, which then attempts to restore the original SMILES through an editing process. This approach not only introduces fragment-level training signals, but also enables the use of valid SMILES as inputs, allowing the model to learn how to reconstruct complete molecules from these incomplete structures. As a result, the model demonstrates improved scalability and an enhanced ability to capture fragment-level molecular information. Experimental results show that SMI-Editor achieves state-of-the-art performance across multiple downstream molecular tasks, and even outperforming several 3D molecular representation models.

Hourun Li, Yusheng Zhao, Zhengyang Mao et al.

Intelligent Transportation System (ITS) is crucial for improving traffic congestion, reducing accidents, optimizing urban planning, and more. However, the complexity of traffic networks has rendered traditional machine learning and statistical methods less effective. With the advent of artificial intelligence, deep learning frameworks have achieved remarkable progress across various fields and are now considered highly effective in many areas. Since 2019, Graph Neural Networks (GNNs) have emerged as a particularly promising deep learning approach within the ITS domain, owing to their robust ability to model graph-structured data and address complex problems. Consequently, there has been increasing scholarly attention to the applications of GNNs in transportation, which have demonstrated excellent performance. Nevertheless, current research predominantly focuses on traffic forecasting, with other ITS domains, such as autonomous vehicles and demand prediction, receiving less attention. This paper aims to review the applications of GNNs across six representative and emerging ITS research areas: traffic forecasting, vehicle control system, traffic signal control, transportation safety, demand prediction, and parking management. We have examined a wide range of graph-related studies from 2018 to 2023, summarizing their methodologies, features, and contributions in detailed tables and lists. Additionally, we identify the challenges of applying GNNs in ITS and propose potential future research directions.

Yusheng Zhao, Xiao Luo, Haomin Wen et al.

Traffic flow forecasting aims to predict future traffic flows based on the historical traffic conditions and the road network. It is an important problem in intelligent transportation systems, with a plethora of methods been proposed. Existing efforts mainly focus on capturing and utilizing spatio-temporal dependencies to predict future traffic flows. Though promising, they fall short in adapting to test-time environmental changes of traffic conditions. To tackle this challenge, we propose to introduce large language models (LLMs) to help traffic flow forecasting and design a novel method named Large Language Model Enhanced Traffic Flow Predictor (LEAF). LEAF adopts two branches, capturing different spatio-temporal relations using graph and hypergraph structures respectively. The two branches are first pre-trained individually, and during test-time, they yield different predictions. Based on these predictions, a large language model is used to select the most likely result. Then, a ranking loss is applied as the learning objective to enhance the prediction ability of the two branches. Extensive experiments on several datasets demonstrate the effectiveness of the proposed LEAF.

Yusheng Zhao, Qixin Zhang, Xiao Luo et al.

Large language models (LLMs) have been used in many zero-shot learning problems, with their strong generalization ability. Recently, adopting LLMs in text-attributed graphs (TAGs) has drawn increasing attention. However, the adoption of LLMs faces two major challenges: limited information on graph structure and unreliable responses. LLMs struggle with text attributes isolated from the graph topology. Worse still, they yield unreliable predictions due to both information insufficiency and the inherent weakness of LLMs (e.g., hallucination). Towards this end, this paper proposes a novel method named Dynamic Text Bundling Supervision (DENSE) that queries LLMs with bundles of texts to obtain bundle-level labels and uses these labels to supervise graph neural networks. Specifically, we sample a set of bundles, each containing a set of nodes with corresponding texts of close proximity. We then query LLMs with the bundled texts to obtain the label of each bundle. Subsequently, the bundle labels are used to supervise the optimization of graph neural networks, and the bundles are further refined to exclude noisy items. To justify our design, we also provide theoretical analysis of the proposed method. Extensive experiments across ten datasets validate the effectiveness of the proposed method.

Junyu Luo, Yusheng Zhao, Xiao Luo et al. · pku

Unsupervised efficient domain adaptive retrieval aims to transfer knowledge from a labeled source domain to an unlabeled target domain, while maintaining low storage cost and high retrieval efficiency. However, existing methods typically fail to address potential noise in the target domain, and directly align high-level features across domains, thus resulting in suboptimal retrieval performance. To address these challenges, we propose a novel Cross-Domain Diffusion with Progressive Alignment method (COUPLE). This approach revisits unsupervised efficient domain adaptive retrieval from a graph diffusion perspective, simulating cross-domain adaptation dynamics to achieve a stable target domain adaptation process. First, we construct a cross-domain relationship graph and leverage noise-robust graph flow diffusion to simulate the transfer dynamics from the source domain to the target domain, identifying lower noise clusters. We then leverage the graph diffusion results for discriminative hash code learning, effectively learning from the target domain while reducing the negative impact of noise. Furthermore, we employ a hierarchical Mixup operation for progressive domain alignment, which is performed along the cross-domain random walk paths. Utilizing target domain discriminative hash learning and progressive domain alignment, COUPLE enables effective domain adaptive hash learning. Extensive experiments demonstrate COUPLE's effectiveness on competitive benchmarks.

Junyu Luo, Yuhao Tang, Yiwei Fu et al. · pku

Unsupervised Graph Domain Adaptation (UGDA) leverages labeled source domain graphs to achieve effective performance in unlabeled target domains despite distribution shifts. However, existing methods often yield suboptimal results due to the entanglement of causal-spurious features and the failure of global alignment strategies. We propose SLOGAN (Sparse Causal Discovery with Generative Intervention), a novel approach that achieves stable graph representation transfer through sparse causal modeling and dynamic intervention mechanisms. Specifically, SLOGAN first constructs a sparse causal graph structure, leveraging mutual information bottleneck constraints to disentangle sparse, stable causal features while compressing domain-dependent spurious correlations through variational inference. To address residual spurious correlations, we innovatively design a generative intervention mechanism that breaks local spurious couplings through cross-domain feature recombination while maintaining causal feature semantic consistency via covariance constraints. Furthermore, to mitigate error accumulation in target domain pseudo-labels, we introduce a category-adaptive dynamic calibration strategy, ensuring stable discriminative learning. Extensive experiments on multiple real-world datasets demonstrate that SLOGAN significantly outperforms existing baselines.

Yusheng Zhao, Xiao Luo, Weizhi Zhang et al.

The ability to reason is one of the most fundamental capabilities of large language models (LLMs), enabling a wide range of downstream tasks through sophisticated problem-solving. A critical aspect of this is code reasoning, which involves logical reasoning with formal languages (i.e., programming code). In this paper, we enhance this capability of LLMs by exploring the following question: how can an LLM agent become progressively smarter in code reasoning with each solution it proposes, thereby achieving substantial cumulative improvement? Most existing research takes a static perspective, focusing on isolated problem-solving using frozen LLMs. In contrast, we adopt a cognitive-evolving perspective and propose a novel framework named Meta-Reflection with Cross-Referencing (MARCO) that enables the LLM to evolve dynamically during inference through self-improvement. From the perspective of human cognitive development, we leverage both knowledge accumulation and lesson sharing. In particular, to accumulate knowledge during problem-solving, we propose meta-reflection that reflects on the reasoning paths of the current problem to obtain knowledge and experience for future consideration. Moreover, to effectively utilize the lessons from other agents, we propose cross-referencing that incorporates the solution and feedback from other agents into the current problem-solving process. We conduct experiments across various datasets in code reasoning, and the results demonstrate the effectiveness of MARCO.

Jingyu Xing, Chenwei Tang, Tao Wang et al.

Recent advances in unsupervised anomaly detection (UAD) have shifted from single-class to multi-class scenarios. In such complex contexts, the increasing pattern diversity has brought two challenges to reconstruction-based approaches: (1) over-generalization: anomalies that are subtle or share compositional similarities with normal patterns may be reconstructed with high fidelity, making them difficult to distinguish from normal instances; and (2) insufficient normality reconstruction: complex normal features, such as intricate textures or fine-grained structures, may not be faithfully reconstructed due to the model's limited representational capacity, resulting in false positives. Existing methods typically focus on addressing the former, which unintentionally exacerbate the latter, resulting in inadequate representation of intricate normal patterns. To concurrently address these two challenges, we propose a Memory-augmented Dual-Decoder Networks (MDD-Net). This network includes two critical components: a Dual-Decoder Reverse Distillation Network (DRD-Net) and a Class-aware Memory Module (CMM). Specifically, the DRD-Net incorporates a restoration decoder designed to recover normal features from synthetic abnormal inputs and an identity decoder to reconstruct features that maintain the anomalous semantics. By exploiting the discrepancy between features produced by two decoders, our approach refines anomaly scores beyond the conventional encoder-decoder comparison paradigm, effectively reducing false positives and enhancing localization accuracy. Furthermore, the CMM explicitly encodes and preserves class-specific normal prototypes, actively steering the network away from anomaly reconstruction. Comprehensive experimental results across several benchmarks demonstrate the superior performance of our MDD-Net framework over current SoTA approaches in multi-class UAD tasks.

Kangjie Zheng, Junwei Yang, Siyue Liang et al.

Masked Language Models (MLMs) have achieved remarkable success in many self-supervised representation learning tasks. MLMs are trained by randomly masking portions of the input sequences with [MASK] tokens and learning to reconstruct the original content based on the remaining context. This paper explores the impact of [MASK] tokens on MLMs. Analytical studies show that masking tokens can introduce the corrupted semantics problem, wherein the corrupted context may convey multiple, ambiguous meanings. This problem is also a key factor affecting the performance of MLMs on downstream tasks. Based on these findings, we propose a novel enhanced-context MLM, ExLM. Our approach expands [MASK] tokens in the input context and models the dependencies between these expanded states. This enhancement increases context capacity and enables the model to capture richer semantic information, effectively mitigating the corrupted semantics problem during pre-training. Experimental results demonstrate that ExLM achieves significant performance improvements in both text modeling and SMILES modeling tasks. Further analysis confirms that ExLM enriches semantic representations through context enhancement, and effectively reduces the semantic multimodality commonly observed in MLMs.

Chenwei Tang, Jingyu Xing, Xinyu Liu et al.

Reinforcement Learning (RL) has emerged as a powerful paradigm for advancing Large Language Models (LLMs), achieving remarkable performance in complex reasoning domains such as mathematics and code generation. However, current RL methods face a fundamental scalability bottleneck due to their heavy reliance on human-curated preference data or labeled datasets for reward modeling. To overcome this limitation, we explore RL on unlabeled data where models learn autonomously from continuous experience streams. The core challenge in this setting lies in reliable reward estimation without ground-truth supervision. Existing approaches like Test-Time RL address this through self-consistent consensus, but risk reinforcing incorrect pseudo-labels derived from majority voting. We introduce COMPASS (Composite Path and Answer Self-Scoring), a novel test-time reward mechanism that operates without external supervision. COMPASS integrates two complementary components: the Dual-Calibration Answer Reward (DCAR), which stabilizes training by establishing trustworthy pseudo-labels through confidence and credibility calibration, and the Decisive Path Reward (DPR), which directly optimizes the reasoning process quality beyond mere outcome supervision. By jointly reinforcing trustworthy consensus answers and highly decisive reasoning chains, the COMPASS systematically enhances the model's analytical capabilities. Extensive experiments show that COMPASS achieves significant and consistent performance gains across diverse reasoning tasks and model architectures, advancing a more scalable direction for LLMs to learn from continuous experience.

Haotian Chen, Qingqing Long, Meng Xiao et al.

Scientific literature question answering is a pivotal step towards new scientific discoveries. Recently, \textit{two-stage} retrieval-augmented generated large language models (RAG-LLMs) have shown impressive advancements in this domain. Such a two-stage framework, especially the second stage (reranker), is particularly essential in the scientific domain, where subtle differences in terminology may have a greatly negative impact on the final factual-oriented or knowledge-intensive answers. Despite this significant progress, the potential and limitations of these works remain unexplored. In this work, we present a Scientific Rerank-oriented RAG Benchmark (SciRerankBench), for evaluating rerankers within RAG-LLMs systems, spanning five scientific subjects. To rigorously assess the reranker performance in terms of noise resilience, relevance disambiguation, and factual consistency, we develop three types of question-context-answer (Q-C-A) pairs, i.e., Noisy Contexts (NC), Semantically Similar but Logically Irrelevant Contexts (SSLI), and Counterfactual Contexts (CC). Through systematic evaluation of 13 widely used rerankers on five families of LLMs, we provide detailed insights into their relative strengths and limitations. To the best of our knowledge, SciRerankBench is the first benchmark specifically developed to evaluate rerankers within RAG-LLMs, which provides valuable observations and guidance for their future development.

Yusheng Zhao, Junyu Luo, Xiao Luo et al. · pku

Multi-modal large language models (MLLMs) have recently achieved great success in processing and understanding information from diverse modalities (e.g., text, audio, and visual signals). Despite their growing popularity, there remains a lack of comprehensive evaluation measuring the audio-visual capabilities of these models, especially in diverse scenarios (e.g., distribution shifts and adversarial attacks). In this paper, we present a multifaceted evaluation of the audio-visual capability of MLLMs, focusing on four key dimensions: effectiveness, efficiency, generalizability, and robustness. Through extensive experiments, we find that MLLMs exhibit strong zero-shot and few-shot generalization abilities, enabling them to achieve great performance with limited data. However, their success relies heavily on the vision modality, which impairs performance when visual input is corrupted or missing. Additionally, while MLLMs are susceptible to adversarial samples, they demonstrate greater robustness compared to traditional models. The experimental results and our findings provide insights into the audio-visual capabilities of MLLMs, highlighting areas for improvement and offering guidance for future research.

Jinsheng Huang, Liang Chen, Taian Guo et al.

Large Multimodal Models (LMMs) exhibit impressive cross-modal understanding and reasoning abilities, often assessed through multiple-choice questions (MCQs) that include an image, a question, and several options. However, many benchmarks used for such evaluations suffer from systematic biases. Remarkably, Large Language Models (LLMs) without any visual perception capabilities achieve non-trivial performance, undermining the credibility of these evaluations. To address this issue while maintaining the efficiency of MCQ evaluations, we propose MMEvalPro, a benchmark designed to avoid Type-I errors through a trilogy evaluation pipeline and more rigorous metrics. For each original question from existing benchmarks, human annotators augment it by creating one perception question and one knowledge anchor question through a meticulous annotation process. MMEvalPro comprises $2,138$ question triplets, totaling $6,414$ distinct questions. Two-thirds of these questions are manually labeled by human experts, while the rest are sourced from existing benchmarks (MMMU, ScienceQA, and MathVista). Compared with the existing benchmarks, our experiments with the latest LLMs and LMMs demonstrate that MMEvalPro is more challenging (the best LMM lags behind human performance by $31.73\%$, compared to an average gap of $8.03\%$ in previous benchmarks) and more trustworthy (the best LLM trails the best LMM by $23.09\%$, whereas the gap for previous benchmarks is just $14.64\%$). Our in-depth analysis explains the reason for the large performance gap and justifies the trustworthiness of evaluation, underscoring its significant potential for advancing future research.

Xiao Luo, Yusheng Zhao, Yifang Qin et al.

Graph neural networks have pushed state-of-the-arts in graph classifications recently. Typically, these methods are studied within the context of supervised end-to-end training, which necessities copious task-specific labels. However, in real-world circumstances, labeled data could be limited, and there could be a massive corpus of unlabeled data, even from unknown classes as a complementary. Towards this end, we study the problem of semi-supervised universal graph classification, which not only identifies graph samples which do not belong to known classes, but also classifies the remaining samples into their respective classes. This problem is challenging due to a severe lack of labels and potential class shifts. In this paper, we propose a novel graph neural network framework named UGNN, which makes the best of unlabeled data from the subgraph perspective. To tackle class shifts, we estimate the certainty of unlabeled graphs using multiple subgraphs, which facilities the discovery of unlabeled data from unknown categories. Moreover, we construct semantic prototypes in the embedding space for both known and unknown categories and utilize posterior prototype assignments inferred from the Sinkhorn-Knopp algorithm to learn from abundant unlabeled graphs across different subgraph views. Extensive experiments on six datasets verify the effectiveness of UGNN in different settings.

Wei Ju, Wenxin Jiang

We comment on a recent TKDE paper "Linear Approximation of F-measure for the Performance Evaluation of Classification Algorithms on Imbalanced Data Sets", and make two improvements related to comparison of F-measures for two prediction rules.