Abstract: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.
Abstract: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.
Abstract: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.
Abstract: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.
Abstract: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.
Abstract: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.
Abstract:This paper studies the problem of class-imbalanced graph classification, which aims at effectively classifying the categories of graphs in scenarios with imbalanced class distribution. Despite the tremendous success of graph neural networks (GNNs), their modeling ability for imbalanced graph-structured data is inadequate, which typically leads to predictions biased towards the majority classes. Besides, existing class-imbalanced learning methods in visions may overlook the rich graph semantic substructures of the majority classes and excessively emphasize learning from the minority classes. To tackle this issue, this paper proposes a simple yet powerful approach called C$^3$GNN that incorporates 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, ensuring they have similar sizes to the minority class, thus alleviating class imbalance. Additionally, it utilizes the Mixup technique to synthesize new samples and enrich the semantic information of each subclass, and leverages supervised contrastive learning to hierarchically learn effective graph representations. In this way, we can not only sufficiently explore the semantic substructures within the majority class but also effectively alleviate excessive focus on the minority class. Extensive experiments on real-world graph benchmark datasets verify the superior performance of our proposed method.
Abstract: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.
Abstract: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.
Abstract: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.