29.9LGApr 11, 2023
A Comprehensive Survey on Deep Graph Representation LearningWei 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.
17.5LGSep 21, 2023
Dynamic Hypergraph Structure Learning for Traffic Flow ForecastingYusheng 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.
8.8LGAug 31, 2023
Towards Long-Tailed Recognition for Graph Classification via Collaborative ExpertsSiyu 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.
16.1LGMay 21, 2022
KGNN: Harnessing Kernel-based Networks for Semi-supervised Graph ClassificationWei 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.
DisenSemi: Semi-supervised Graph Classification via Disentangled Representation LearningYifan 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.
9.8LGAug 4, 2023
RAHNet: Retrieval Augmented Hybrid Network for Long-tailed Graph ClassificationZhengyang 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.
13.0LGSep 26, 2023
ALEX: Towards Effective Graph Transfer Learning with Noisy LabelsJingyang 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.
A Survey on Efficient Large Language Model Training: From Data-centric PerspectivesJunyu 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
29.9LGMar 7, 2024
A Survey of Graph Neural Networks in Real world: Imbalance, Noise, Privacy and OOD ChallengesWei 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.
22.4LGMay 20, 2024
Towards Graph Contrastive Learning: A Survey and BeyondWei 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.
10.4LGMar 2, 2024
COOL: A Conjoint Perspective on Spatio-Temporal Graph Neural Network for Traffic ForecastingWei 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.
21.1LGFeb 1, 2024
A Survey of Data-Efficient Graph LearningWei 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.
13.4LGMay 8, 2024
Hypergraph-enhanced Dual Semi-supervised Graph ClassificationWei 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.
9.2IRDec 19, 2024
DisCo: Graph-Based Disentangled Contrastive Learning for Cold-Start Cross-Domain RecommendationHourun 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.
GALA: Graph Diffusion-based Alignment with Jigsaw for Source-free Domain AdaptationJunyu 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.
12.5LGDec 17, 2024
Cluster-guided Contrastive Class-imbalanced Graph ClassificationWei 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.
Semi-supervised Fine-tuning for Large Language ModelsJunyu 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.
6.4LGDec 7, 2024
SMI-Editor: Edit-based SMILES Language Model with Fragment-level SupervisionKangjie 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.
12.5LGJan 1, 2024
Graph Neural Networks in Intelligent Transportation Systems: Advances, Applications and TrendsHourun 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.
9.2LGDec 15, 2024
Embracing Large Language Models in Traffic Flow ForecastingYusheng 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.
7.1LGMay 20, 2025
Cross-Domain Diffusion with Progressive Alignment for Efficient Adaptive RetrievalJunyu 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.
7.1LGJul 10, 2025
Sparse Causal Discovery with Generative Intervention for Unsupervised Graph Domain AdaptationJunyu 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.
4.9CLJan 23, 2025
ExLM: Rethinking the Impact of [MASK] Tokens in Masked Language ModelsKangjie 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.
11.4LGOct 20, 2025
Rewarding the Journey, Not Just the Destination: A Composite Path and Answer Self-Scoring Reward Mechanism for Test-Time Reinforcement LearningChenwei 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.
MMEvalPro: Calibrating Multimodal Benchmarks Towards Trustworthy and Efficient EvaluationJinsheng 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.
16.0LGMay 31, 2023
Towards Semi-supervised Universal Graph ClassificationXiao 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.