LGJul 7, 2023Code
Exploring the Potential of Large Language Models (LLMs) in Learning on GraphsZhikai Chen, Haitao Mao, Hang Li et al.
Learning on Graphs has attracted immense attention due to its wide real-world applications. The most popular pipeline for learning on graphs with textual node attributes primarily relies on Graph Neural Networks (GNNs), and utilizes shallow text embedding as initial node representations, which has limitations in general knowledge and profound semantic understanding. In recent years, Large Language Models (LLMs) have been proven to possess extensive common knowledge and powerful semantic comprehension abilities that have revolutionized existing workflows to handle text data. In this paper, we aim to explore the potential of LLMs in graph machine learning, especially the node classification task, and investigate two possible pipelines: LLMs-as-Enhancers and LLMs-as-Predictors. The former leverages LLMs to enhance nodes' text attributes with their massive knowledge and then generate predictions through GNNs. The latter attempts to directly employ LLMs as standalone predictors. We conduct comprehensive and systematical studies on these two pipelines under various settings. From comprehensive empirical results, we make original observations and find new insights that open new possibilities and suggest promising directions to leverage LLMs for learning on graphs. Our codes and datasets are available at https://github.com/CurryTang/Graph-LLM.
LGFeb 6, 2023Code
Generative Diffusion Models on Graphs: Methods and ApplicationsChengyi Liu, Wenqi Fan, Yunqing Liu et al.
Diffusion models, as a novel generative paradigm, have achieved remarkable success in various image generation tasks such as image inpainting, image-to-text translation, and video generation. Graph generation is a crucial computational task on graphs with numerous real-world applications. It aims to learn the distribution of given graphs and then generate new graphs. Given the great success of diffusion models in image generation, increasing efforts have been made to leverage these techniques to advance graph generation in recent years. In this paper, we first provide a comprehensive overview of generative diffusion models on graphs, In particular, we review representative algorithms for three variants of graph diffusion models, i.e., Score Matching with Langevin Dynamics (SMLD), Denoising Diffusion Probabilistic Model (DDPM), and Score-based Generative Model (SGM). Then, we summarize the major applications of generative diffusion models on graphs with a specific focus on molecule and protein modeling. Finally, we discuss promising directions in generative diffusion models on graph-structured data. For this survey, we also created a GitHub project website by collecting the supporting resources for generative diffusion models on graphs, at the link: https://github.com/ChengyiLIU-cs/Generative-Diffusion-Models-on-Graphs
IRJul 5, 2023
Recommender Systems in the Era of Large Language Models (LLMs)Zihuai Zhao, Wenqi Fan, Jiatong Li et al.
With the prosperity of e-commerce and web applications, Recommender Systems (RecSys) have become an important component of our daily life, providing personalized suggestions that cater to user preferences. While Deep Neural Networks (DNNs) have made significant advancements in enhancing recommender systems by modeling user-item interactions and incorporating textual side information, DNN-based methods still face limitations, such as difficulties in understanding users' interests and capturing textual side information, inabilities in generalizing to various recommendation scenarios and reasoning on their predictions, etc. Meanwhile, the emergence of Large Language Models (LLMs), such as ChatGPT and GPT4, has revolutionized the fields of Natural Language Processing (NLP) and Artificial Intelligence (AI), due to their remarkable abilities in fundamental responsibilities of language understanding and generation, as well as impressive generalization and reasoning capabilities. As a result, recent studies have attempted to harness the power of LLMs to enhance recommender systems. Given the rapid evolution of this research direction in recommender systems, there is a pressing need for a systematic overview that summarizes existing LLM-empowered recommender systems, to provide researchers in relevant fields with an in-depth understanding. Therefore, in this paper, we conduct a comprehensive review of LLM-empowered recommender systems from various aspects including Pre-training, Fine-tuning, and Prompting. More specifically, we first introduce representative methods to harness the power of LLMs (as a feature encoder) for learning representations of users and items. Then, we review recent techniques of LLMs for enhancing recommender systems from three paradigms, namely pre-training, fine-tuning, and prompting. Finally, we comprehensively discuss future directions in this emerging field.
LGOct 17, 2023Code
Fast Graph Condensation with Structure-based Neural Tangent KernelLin Wang, Wenqi Fan, Jiatong Li et al.
The rapid development of Internet technology has given rise to a vast amount of graph-structured data. Graph Neural Networks (GNNs), as an effective method for various graph mining tasks, incurs substantial computational resource costs when dealing with large-scale graph data. A data-centric manner solution is proposed to condense the large graph dataset into a smaller one without sacrificing the predictive performance of GNNs. However, existing efforts condense graph-structured data through a computational intensive bi-level optimization architecture also suffer from massive computation costs. In this paper, we propose reforming the graph condensation problem as a Kernel Ridge Regression (KRR) task instead of iteratively training GNNs in the inner loop of bi-level optimization. More specifically, We propose a novel dataset condensation framework (GC-SNTK) for graph-structured data, where a Structure-based Neural Tangent Kernel (SNTK) is developed to capture the topology of graph and serves as the kernel function in KRR paradigm. Comprehensive experiments demonstrate the effectiveness of our proposed model in accelerating graph condensation while maintaining high prediction performance. The source code is available on https://github.com/WANGLin0126/GCSNTK.
LGSep 21, 2022Code
Fairness ReprogrammingGuanhua Zhang, Yihua Zhang, Yang Zhang et al.
Despite a surge of recent advances in promoting machine Learning (ML) fairness, the existing mainstream approaches mostly require retraining or finetuning the entire weights of the neural network to meet the fairness criteria. However, this is often infeasible in practice for those large-scale trained models due to large computational and storage costs, low data efficiency, and model privacy issues. In this paper, we propose a new generic fairness learning paradigm, called FairReprogram, which incorporates the model reprogramming technique. Specifically, FairReprogram considers the case where models can not be changed and appends to the input a set of perturbations, called the fairness trigger, which is tuned towards the fairness criteria under a min-max formulation. We further introduce an information-theoretic framework that explains why and under what conditions fairness goals can be achieved using the fairness trigger. We show both theoretically and empirically that the fairness trigger can effectively obscure demographic biases in the output prediction of fixed ML models by providing false demographic information that hinders the model from utilizing the correct demographic information to make the prediction. Extensive experiments on both NLP and CV datasets demonstrate that our method can achieve better fairness improvements than retraining-based methods with far less data dependency under two widely-used fairness criteria. Codes are available at https://github.com/UCSB-NLP-Chang/Fairness-Reprogramming.git.
CLJul 14, 2023Code
Certified Robustness for Large Language Models with Self-DenoisingZhen Zhang, Guanhua Zhang, Bairu Hou et al.
Although large language models (LLMs) have achieved great success in vast real-world applications, their vulnerabilities towards noisy inputs have significantly limited their uses, especially in high-stake environments. In these contexts, it is crucial to ensure that every prediction made by large language models is stable, i.e., LLM predictions should be consistent given minor differences in the input. This largely falls into the study of certified robust LLMs, i.e., all predictions of LLM are certified to be correct in a local region around the input. Randomized smoothing has demonstrated great potential in certifying the robustness and prediction stability of LLMs. However, randomized smoothing requires adding noise to the input before model prediction, and its certification performance depends largely on the model's performance on corrupted data. As a result, its direct application to LLMs remains challenging and often results in a small certification radius. To address this issue, we take advantage of the multitasking nature of LLMs and propose to denoise the corrupted inputs with LLMs in a self-denoising manner. Different from previous works like denoised smoothing, which requires training a separate model to robustify LLM, our method enjoys far better efficiency and flexibility. Our experiment results show that our method outperforms the existing certification methods under both certified robustness and empirical robustness. The codes are available at https://github.com/UCSB-NLP-Chang/SelfDenoise.
CLJun 11, 2023
Empowering Molecule Discovery for Molecule-Caption Translation with Large Language Models: A ChatGPT PerspectiveJiatong Li, Yunqing Liu, Wenqi Fan et al.
Molecule discovery plays a crucial role in various scientific fields, advancing the design of tailored materials and drugs. However, most of the existing methods heavily rely on domain experts, require excessive computational cost, or suffer from sub-optimal performance. On the other hand, Large Language Models (LLMs), like ChatGPT, have shown remarkable performance in various cross-modal tasks due to their powerful capabilities in natural language understanding, generalization, and in-context learning (ICL), which provides unprecedented opportunities to advance molecule discovery. Despite several previous works trying to apply LLMs in this task, the lack of domain-specific corpus and difficulties in training specialized LLMs still remain challenges. In this work, we propose a novel LLM-based framework (MolReGPT) for molecule-caption translation, where an In-Context Few-Shot Molecule Learning paradigm is introduced to empower molecule discovery with LLMs like ChatGPT to perform their in-context learning capability without domain-specific pre-training and fine-tuning. MolReGPT leverages the principle of molecular similarity to retrieve similar molecules and their text descriptions from a local database to enable LLMs to learn the task knowledge from context examples. We evaluate the effectiveness of MolReGPT on molecule-caption translation, including molecule understanding and text-based molecule generation. Experimental results show that compared to fine-tuned models, MolReGPT outperforms MolT5-base and is comparable to MolT5-large without additional training. To the best of our knowledge, MolReGPT is the first work to leverage LLMs via in-context learning in molecule-caption translation for advancing molecule discovery. Our work expands the scope of LLM applications, as well as providing a new paradigm for molecule discovery and design.
IRJul 22, 2024
Dual Test-time Training for Out-of-distribution Recommender SystemXihong Yang, Yiqi Wang, Jin Chen et al.
Deep learning has been widely applied in recommender systems, which has achieved revolutionary progress recently. However, most existing learning-based methods assume that the user and item distributions remain unchanged between the training phase and the test phase. However, the distribution of user and item features can naturally shift in real-world scenarios, potentially resulting in a substantial decrease in recommendation performance. This phenomenon can be formulated as an Out-Of-Distribution (OOD) recommendation problem. To address this challenge, we propose a novel Dual Test-Time-Training framework for OOD Recommendation, termed DT3OR. In DT3OR, we incorporate a model adaptation mechanism during the test-time phase to carefully update the recommendation model, allowing the model to specially adapt to the shifting user and item features. To be specific, we propose a self-distillation task and a contrastive task to assist the model learning both the user's invariant interest preferences and the variant user/item characteristics during the test-time phase, thus facilitating a smooth adaptation to the shifting features. Furthermore, we provide theoretical analysis to support the rationale behind our dual test-time training framework. To the best of our knowledge, this paper is the first work to address OOD recommendation via a test-time-training strategy. We conduct experiments on three datasets with various backbones. Comprehensive experimental results have demonstrated the effectiveness of DT3OR compared to other state-of-the-art baselines.
LGJul 3, 2024Code
Backdoor Graph CondensationJiahao Wu, Ning Lu, Zeiyu Dai et al.
Graph condensation has recently emerged as a prevalent technique to improve the training efficiency for graph neural networks (GNNs). It condenses a large graph into a small one such that a GNN trained on this small synthetic graph can achieve comparable performance to a GNN trained on the large graph. However, while existing graph condensation studies mainly focus on the best trade-off between graph size and the GNNs' performance (model utility), they overlook the security issues of graph condensation. To bridge this gap, we first explore backdoor attack against the GNNs trained on the condensed graphs. We introduce an effective backdoor attack against graph condensation, termed BGC. This attack aims to (1) preserve the condensed graph quality despite trigger injection, and (2) ensure trigger efficacy through the condensation process, achieving a high attack success rate. Specifically, BGC consistently updates triggers during condensation and targets representative nodes for poisoning. Extensive experiments demonstrate the effectiveness of our attack. BGC achieves a high attack success rate (close to 1.0) and good model utility in all cases. Furthermore, the results against multiple defense methods demonstrate BGC's resilience under their defenses. Finally, we analyze the key hyperparameters that influence the attack performance. Our code is available at: https://github.com/JiahaoWuGit/BGC.
LGJun 1, 2022
Defense Against Gradient Leakage Attacks via Learning to Obscure DataYuxuan Wan, Han Xu, Xiaorui Liu et al.
Federated learning is considered as an effective privacy-preserving learning mechanism that separates the client's data and model training process. However, federated learning is still under the risk of privacy leakage because of the existence of attackers who deliberately conduct gradient leakage attacks to reconstruct the client data. Recently, popular strategies such as gradient perturbation methods and input encryption methods have been proposed to defend against gradient leakage attacks. Nevertheless, these defenses can either greatly sacrifice the model performance, or be evaded by more advanced attacks. In this paper, we propose a new defense method to protect the privacy of clients' data by learning to obscure data. Our defense method can generate synthetic samples that are totally distinct from the original samples, but they can also maximally preserve their predictive features and guarantee the model performance. Furthermore, our defense strategy makes the gradient leakage attack and its variants extremely difficult to reconstruct the client data. Through extensive experiments, we show that our proposed defense method obtains better privacy protection while preserving high accuracy compared with state-of-the-art methods.
IRAug 18, 2022
Disentangled Contrastive Learning for Social RecommendationJiahao Wu, Wenqi Fan, Jingfan Chen et al.
Social recommendations utilize social relations to enhance the representation learning for recommendations. Most social recommendation models unify user representations for the user-item interactions (collaborative domain) and social relations (social domain). However, such an approach may fail to model the users heterogeneous behavior patterns in two domains, impairing the expressiveness of user representations. In this work, to address such limitation, we propose a novel Disentangled contrastive learning framework for social Recommendations DcRec. More specifically, we propose to learn disentangled users representations from the item and social domains. Moreover, disentangled contrastive learning is designed to perform knowledge transfer between disentangled users representations for social recommendations. Comprehensive experiments on various real-world datasets demonstrate the superiority of our proposed model.
21.4CRMay 31
Inference Cost Attacks for Retrieval-Augmented Large Language ModelsChengliang Liu, Liangbo Ning, Yujuan Ding et al.
Retrieval-Augmented Generation (RAG)-enhanced LLM systems, while powerful, introduce substantial inference costs due to the inclusion of an extra multi-stage pipeline that dynamically retrieves and synthesizes information from external knowledge sources. This high operational cost exposes a critical vulnerability to Inference Cost Attacks (ICAs). However, existing ICAs often rely on the impractical assumption of direct prompt manipulation. We argue that a more feasible and potent threat to RAG-enhanced LLM systems arises from poisoning external knowledge bases (e.g., web knowledge from the Internet). In this work, we introduce the Retrieval-Augmented Inference Cost Attack (RA-ICA), a novel attacking paradigm that targets the computational cost of RAG-enhanced LLM systems by injecting malicious documents into external knowledge corpus. To operationalize this attack, we propose Computational Resource Exhaustion via External Poisoning (CREEP), a novel framework that leverages LLM agents to automatically craft malicious documents that are both semantically relevant for retrieval and potent for inducing an abnormal increase in token consumption during the inference phase. To enhance the attack's effectiveness, we introduce Memory-Augmented Group Relative Policy Optimization (MA-GRPO), a novel reinforcement learning algorithm that fine-tunes the agents by learning from a dynamic memory of historical best adversarial documents. Extensive experiments across three real-world datasets demonstrate that RA-ICA increases token consumption by up to 13.12 times with an over 90% success rate, without degrading the integrity of the generated answer.
26.8CLMay 16
Double-Calibration: Towards Reliable LLMs via Calibrating Knowledge and Reasoning ConfidenceYuyin Lu, Ziran Liang, Yanghui Rao et al.
Reliable reasoning in Large Language Models (LLMs) is challenged by their propensity for hallucination. While augmenting LLMs with Knowledge Graphs (KGs) improves factual accuracy, existing KG-augmented methods fail to quantify epistemic uncertainty in both the retrieved evidence and LLMs' reasoning. To bridge this gap, we introduce DoublyCal, a framework built on a novel double-calibration principle. DoublyCal employs a lightweight proxy model to first generate KG evidence alongside a calibrated evidence confidence. This calibrated supporting evidence then guides a black-box LLM, yielding final predictions that are not only more accurate but also well-calibrated, with confidence scores traceable to the uncertainty of the supporting evidence. Experiments on knowledge-intensive benchmarks show that DoublyCal significantly improves both the accuracy and confidence calibration of black-box LLMs while maintaining low token cost.
IRSep 21, 2022
A Comprehensive Survey on Trustworthy Recommender SystemsWenqi Fan, Xiangyu Zhao, Xiao Chen et al.
As one of the most successful AI-powered applications, recommender systems aim to help people make appropriate decisions in an effective and efficient way, by providing personalized suggestions in many aspects of our lives, especially for various human-oriented online services such as e-commerce platforms and social media sites. In the past few decades, the rapid developments of recommender systems have significantly benefited human by creating economic value, saving time and effort, and promoting social good. However, recent studies have found that data-driven recommender systems can pose serious threats to users and society, such as spreading fake news to manipulate public opinion in social media sites, amplifying unfairness toward under-represented groups or individuals in job matching services, or inferring privacy information from recommendation results. Therefore, systems' trustworthiness has been attracting increasing attention from various aspects for mitigating negative impacts caused by recommender systems, so as to enhance the public's trust towards recommender systems techniques. In this survey, we provide a comprehensive overview of Trustworthy Recommender systems (TRec) with a specific focus on six of the most important aspects; namely, Safety & Robustness, Nondiscrimination & Fairness, Explainability, Privacy, Environmental Well-being, and Accountability & Auditability. For each aspect, we summarize the recent related technologies and discuss potential research directions to help achieve trustworthy recommender systems in the future.
LGJul 21, 2022
Knowledge-enhanced Black-box Attacks for RecommendationsJingfan Chen, Wenqi Fan, Guanghui Zhu et al.
Recent studies have shown that deep neural networks-based recommender systems are vulnerable to adversarial attacks, where attackers can inject carefully crafted fake user profiles (i.e., a set of items that fake users have interacted with) into a target recommender system to achieve malicious purposes, such as promote or demote a set of target items. Due to the security and privacy concerns, it is more practical to perform adversarial attacks under the black-box setting, where the architecture/parameters and training data of target systems cannot be easily accessed by attackers. However, generating high-quality fake user profiles under black-box setting is rather challenging with limited resources to target systems. To address this challenge, in this work, we introduce a novel strategy by leveraging items' attribute information (i.e., items' knowledge graph), which can be publicly accessible and provide rich auxiliary knowledge to enhance the generation of fake user profiles. More specifically, we propose a knowledge graph-enhanced black-box attacking framework (KGAttack) to effectively learn attacking policies through deep reinforcement learning techniques, in which knowledge graph is seamlessly integrated into hierarchical policy networks to generate fake user profiles for performing adversarial black-box attacks. Comprehensive experiments on various real-world datasets demonstrate the effectiveness of the proposed attacking framework under the black-box setting.
IRApr 4, 2022
A Comprehensive Survey on Automated Machine Learning for RecommendationsBo Chen, Xiangyu Zhao, Yejing Wang et al.
Deep recommender systems (DRS) are critical for current commercial online service providers, which address the issue of information overload by recommending items that are tailored to the user's interests and preferences. They have unprecedented feature representations effectiveness and the capacity of modeling the non-linear relationships between users and items. Despite their advancements, DRS models, like other deep learning models, employ sophisticated neural network architectures and other vital components that are typically designed and tuned by human experts. This article will give a comprehensive summary of automated machine learning (AutoML) for developing DRS models. We first provide an overview of AutoML for DRS models and the related techniques. Then we discuss the state-of-the-art AutoML approaches that automate the feature selection, feature embeddings, feature interactions, and model training in DRS. We point out that the existing AutoML-based recommender systems are developing to a multi-component joint search with abstract search space and efficient search algorithm. Finally, we discuss appealing research directions and summarize the survey.
LGAug 2, 2024
A Survey of MambaHaohao Qu, Liangbo Ning, Rui An et al.
As one of the most representative DL techniques, Transformer architecture has empowered numerous advanced models, especially the large language models (LLMs) that comprise billions of parameters, becoming a cornerstone in deep learning. Despite the impressive achievements, Transformers still face inherent limitations, particularly the time-consuming inference resulting from the quadratic computation complexity of attention calculation. Recently, a novel architecture named Mamba, drawing inspiration from classical state space models (SSMs), has emerged as a promising alternative for building foundation models, delivering comparable modeling abilities to Transformers while preserving near-linear scalability concerning sequence length. This has sparked an increasing number of studies actively exploring Mamba's potential to achieve impressive performance across diverse domains. Given such rapid evolution, there is a critical need for a systematic review that consolidates existing Mamba-empowered models, offering a comprehensive understanding of this emerging model architecture. In this survey, we therefore conduct an in-depth investigation of recent Mamba-associated studies, covering three main aspects: the advancements of Mamba-based models, the techniques of adapting Mamba to diverse data, and the applications where Mamba can excel. Specifically, we first review the foundational knowledge of various representative deep learning models and the details of Mamba-1&2 as preliminaries. Then, to showcase the significance of Mamba for AI, we comprehensively review the related studies focusing on Mamba models' architecture design, data adaptability, and applications. Finally, we present a discussion of current limitations and explore various promising research directions to provide deeper insights for future investigations.
SINov 13, 2023
Multi-agent Attacks for Black-box Social RecommendationsShijie Wang, Wenqi Fan, Xiao-yong Wei et al.
The rise of online social networks has facilitated the evolution of social recommender systems, which incorporate social relations to enhance users' decision-making process. With the great success of Graph Neural Networks (GNNs) in learning node representations, GNN-based social recommendations have been widely studied to model user-item interactions and user-user social relations simultaneously. Despite their great successes, recent studies have shown that these advanced recommender systems are highly vulnerable to adversarial attacks, in which attackers can inject well-designed fake user profiles to disrupt recommendation performances. While most existing studies mainly focus on argeted attacks to promote target items on vanilla recommender systems, untargeted attacks to degrade the overall prediction performance are less explored on social recommendations under a black-box scenario. To perform untargeted attacks on social recommender systems, attackers can construct malicious social relationships for fake users to enhance the attack performance. However, the coordination of social relations and item profiles is challenging for attacking black-box social recommendations. To address this limitation, we first conduct several preliminary studies to demonstrate the effectiveness of cross-community connections and cold-start items in degrading recommendations performance. Specifically, we propose a novel framework MultiAttack based on multi-agent reinforcement learning to coordinate the generation of cold-start item profiles and cross-community social relations for conducting untargeted attacks on black-box social recommendations. Comprehensive experiments on various real-world datasets demonstrate the effectiveness of our proposed attacking framework under the black-box setting.
IRNov 8, 2022
Towards Adversarially Robust Recommendation from Adaptive Fraudster DetectionYuni Lai, Yulin Zhu, Wenqi Fan et al.
The robustness of recommender systems under node injection attacks has garnered significant attention. Recently, GraphRfi, a GNN-based recommender system, was proposed and shown to effectively mitigate the impact of injected fake users. However, we demonstrate that GraphRfi remains vulnerable to attacks due to the supervised nature of its fraudster detection component, where obtaining clean labels is challenging in practice. In particular, we propose a powerful poisoning attack, MetaC, against both GNN-based and MF-based recommender systems. Furthermore, we analyze why GraphRfi fails under such an attack. Then, based on our insights obtained from vulnerability analysis, we design an adaptive fraudster detection module that explicitly considers label uncertainty. This module can serve as a plug-in for different recommender systems, resulting in a robust framework named PDR. Comprehensive experiments show that our defense approach outperforms other benchmark methods under attacks. Overall, our research presents an effective framework for integrating fraudster detection into recommendation systems to achieve adversarial robustness.
SIOct 1, 2023
Revisiting Link Prediction: A Data PerspectiveHaitao Mao, Juanhui Li, Harry Shomer et al.
Link prediction, a fundamental task on graphs, has proven indispensable in various applications, e.g., friend recommendation, protein analysis, and drug interaction prediction. However, since datasets span a multitude of domains, they could have distinct underlying mechanisms of link formation. Evidence in existing literature underscores the absence of a universally best algorithm suitable for all datasets. In this paper, we endeavor to explore principles of link prediction across diverse datasets from a data-centric perspective. We recognize three fundamental factors critical to link prediction: local structural proximity, global structural proximity, and feature proximity. We then unearth relationships among those factors where (i) global structural proximity only shows effectiveness when local structural proximity is deficient. (ii) The incompatibility can be found between feature and structural proximity. Such incompatibility leads to GNNs for Link Prediction (GNN4LP) consistently underperforming on edges where the feature proximity factor dominates. Inspired by these new insights from a data perspective, we offer practical instruction for GNN4LP model design and guidelines for selecting appropriate benchmark datasets for more comprehensive evaluations.
17.4IRMay 27
Mixture-of-Experts Knowledge Graph Retrieval-Augmented Generation for Multi-Agent LLM-based RecommendationShijie Wang, Chengyi Liu, Yujuan Ding et al.
Large language models (LLMs) have recently been adopted for recommendations due to their ability to understand user intent and item semantics. However, LLM-based recommender systems often rely on parametric knowledge and suffer from outdated knowledge, motivating knowledge graph retrieval-augmented generation (KG-RAG) to ground recommendations on structured, up-to-date KGs. Despite this promise, effective KG-RAG in recommendations faces great challenges. First, users' queries vary in complexity and require KG knowledge at different granularities, whereas existing methods adopt a one-size-fits-all retrieval strategy, leading to over-retrieval for simple queries and under-retrieval for complex ones. In addition, augmenting LLMs with KG knowledge requires translating graph-structured data into linear text, which may introduce noise and cause structural information loss. Moreover, the selection of retrieval granularity lacks direct supervision and must be inferred from the final recommendation after alignment and downstream utilization, making query-aware retrieval hard to learn end-to-end. To address these issues, we propose MixRAGRec, a cooperative multi-agent framework for KG-RAG recommendations. MixRAGRec integrates a Mixture-of-Experts Retrieval Agent that routes each query to a KG retrieval expert with different granularities, a Knowledge Preference Alignment Agent that converts structured knowledge into LLM-friendly natural language, and a Contrastive Learning-reinforced Recommendation Agent trained with contrastive preference feedback. Notably, we introduce Mixture-of-Experts Multi-Agent Policy Optimization (MMAPO) to train three agents under a unified objective. Extensive experiments on real-world datasets demonstrate the effectiveness of our framework.
CVOct 3, 2023
FT-Shield: A Watermark Against Unauthorized Fine-tuning in Text-to-Image Diffusion ModelsYingqian Cui, Jie Ren, Yuping Lin et al.
Text-to-image generative models, especially those based on latent diffusion models (LDMs), have demonstrated outstanding ability in generating high-quality and high-resolution images from textual prompts. With this advancement, various fine-tuning methods have been developed to personalize text-to-image models for specific applications such as artistic style adaptation and human face transfer. However, such advancements have raised copyright concerns, especially when the data are used for personalization without authorization. For example, a malicious user can employ fine-tuning techniques to replicate the style of an artist without consent. In light of this concern, we propose FT-Shield, a watermarking solution tailored for the fine-tuning of text-to-image diffusion models. FT-Shield addresses copyright protection challenges by designing new watermark generation and detection strategies. In particular, it introduces an innovative algorithm for watermark generation. It ensures the seamless transfer of watermarks from training images to generated outputs, facilitating the identification of copyrighted material use. To tackle the variability in fine-tuning methods and their impact on watermark detection, FT-Shield integrates a Mixture of Experts (MoE) approach for watermark detection. Comprehensive experiments validate the effectiveness of our proposed FT-Shield.
47.6LGMar 17
A Survey of MambaHaohao Qu, Liangbo Ning, Rui An et al.
As one of the most representative DL techniques, Transformer architecture has empowered numerous advanced models, especially the large language models (LLMs) that comprise billions of parameters, becoming a cornerstone in deep learning. Despite the impressive achievements, Transformers still face inherent limitations, particularly the time-consuming inference resulting from the quadratic computation complexity of attention calculation. Recently, a novel architecture named Mamba, drawing inspiration from classical state space models (SSMs), has emerged as a promising alternative for building foundation models, delivering comparable modeling abilities to Transformers while preserving near-linear scalability concerning sequence length. This has sparked an increasing number of studies actively exploring Mamba's potential to achieve impressive performance across diverse domains. Given such rapid evolution, there is a critical need for a systematic review that consolidates existing Mamba-empowered models, offering a comprehensive understanding of this emerging model architecture. In this survey, we therefore conduct an in-depth investigation of recent Mamba-associated studies, covering three main aspects: the advancements of Mamba-based models, the techniques of adapting Mamba to diverse data, and the applications where Mamba can excel. Specifically, we first review the foundational knowledge of various representative deep learning models and the details of Mamba-1&2 as preliminaries. Then, to showcase the significance of Mamba for AI, we comprehensively review the related studies focusing on Mamba models' architecture design, data adaptability, and applications. Finally, we present a discussion of current limitations and explore various promising research directions to provide deeper insights for future investigations.
18.5LGMay 25
Geometric Flow Matching for Molecular Conformation Generation via Manifold DecompositionYunqing Liu, Yi Zhou, Wenqi Fan
The generation of accurate 3D molecular conformations is a pivotal challenge in computational chemistry and drug discovery. Recently, diffusion and flow matching models have achieved remarkable success. However, there is a critical misalignment between their mathematical formulation and the physical reality of molecules. Existing approaches predominantly treat molecules as unstructured point clouds in Cartesian space, overlooking the intrinsic hierarchical mechanics where bond lengths and bond angles are relatively stiff, whereas torsion angles constitute the dominant flexible degrees of freedom. This lack of manifold awareness forces models to relearn fundamental geometric constraints from scratch, often leading to physically implausible intermediate structures. To address this, we propose GO-Flow that aligns generative modeling with molecular geometry via manifold decomposition. Instead of forcing motion through Euclidean space, GO-Flow decomposes the generation process into three physically motivated subspaces: translation space with linear optimal transport, rotation space with geodesic flows on $SO(3)$, and conformation space with entropic optimal transport. This decomposition injects geometric inductive biases and makes the generative paths better aligned with molecular degrees of freedom. When combined with equivariant neural architectures, it encourages rotation-consistent generation and improves geometric validity. Extensive experiments on GEOM-Drugs and GEOM-QM9 demonstrate that GO-Flow achieves state-of-the-art generation quality. Notably, by learning straighter probability paths on the correct manifolds naturally, our method enables high-fidelity sampling with as few as 50 steps, effectively bridging the gap between structural precision and computational efficiency.
LGSep 13, 2024
Sub-graph Based Diffusion Model for Link PredictionHang Li, Wei Jin, Geri Skenderi et al.
Denoising Diffusion Probabilistic Models (DDPMs) represent a contemporary class of generative models with exceptional qualities in both synthesis and maximizing the data likelihood. These models work by traversing a forward Markov Chain where data is perturbed, followed by a reverse process where a neural network learns to undo the perturbations and recover the original data. There have been increasing efforts exploring the applications of DDPMs in the graph domain. However, most of them have focused on the generative perspective. In this paper, we aim to build a novel generative model for link prediction. In particular, we treat link prediction between a pair of nodes as a conditional likelihood estimation of its enclosing sub-graph. With a dedicated design to decompose the likelihood estimation process via the Bayesian formula, we are able to separate the estimation of sub-graph structure and its node features. Such designs allow our model to simultaneously enjoy the advantages of inductive learning and the strong generalization capability. Remarkably, comprehensive experiments across various datasets validate that our proposed method presents numerous advantages: (1) transferability across datasets without retraining, (2) promising generalization on limited training data, and (3) robustness against graph adversarial attacks.
SIJan 29, 2024Code
A Comprehensive Survey on Graph Reduction: Sparsification, Coarsening, and CondensationMohammad Hashemi, Shengbo Gong, Juntong Ni et al.
Many real-world datasets can be naturally represented as graphs, spanning a wide range of domains. However, the increasing complexity and size of graph datasets present significant challenges for analysis and computation. In response, graph reduction, or graph summarization, has gained prominence for simplifying large graphs while preserving essential properties. In this survey, we aim to provide a comprehensive understanding of graph reduction methods, including graph sparsification, graph coarsening, and graph condensation. Specifically, we establish a unified definition for these methods and introduce a hierarchical taxonomy to categorize the challenges they address. Our survey then systematically reviews the technical details of these methods and emphasizes their practical applications across diverse scenarios. Furthermore, we outline critical research directions to ensure the continued effectiveness of graph reduction techniques, as well as provide a comprehensive paper list at \url{https://github.com/Emory-Melody/awesome-graph-reduction}. We hope this survey will bridge literature gaps and propel the advancement of this promising field.
CLAug 19, 2024
MegaFake: A Theory-Driven Dataset of Fake News Generated by Large Language ModelsLionel Z. Wang, Yiming Ma, Renfei Gao et al.
The advent of large language models (LLMs) has revolutionized online content creation, making it much easier to generate high-quality fake news. This misuse threatens the integrity of our digital environment and ethical standards. Therefore, understanding the motivations and mechanisms behind LLM-generated fake news is crucial. In this study, we analyze the creation of fake news from a social psychology perspective and develop a comprehensive LLM-based theoretical framework, LLM-Fake Theory. We introduce a novel pipeline that automates the generation of fake news using LLMs, thereby eliminating the need for manual annotation. Utilizing this pipeline, we create a theoretically informed Machine-generated Fake news dataset, MegaFake, derived from the GossipCop dataset. We conduct comprehensive analyses to evaluate our MegaFake dataset. We believe that our dataset and insights will provide valuable contributions to future research focused on the detection and governance of fake news in the era of LLMs.
CRAug 3, 2024
Joint Universal Adversarial Perturbations with InterpretationsLiang-bo Ning, Zeyu Dai, Wenqi Fan et al.
Deep neural networks (DNNs) have significantly boosted the performance of many challenging tasks. Despite the great development, DNNs have also exposed their vulnerability. Recent studies have shown that adversaries can manipulate the predictions of DNNs by adding a universal adversarial perturbation (UAP) to benign samples. On the other hand, increasing efforts have been made to help users understand and explain the inner working of DNNs by highlighting the most informative parts (i.e., attribution maps) of samples with respect to their predictions. Moreover, we first empirically find that such attribution maps between benign and adversarial examples have a significant discrepancy, which has the potential to detect universal adversarial perturbations for defending against adversarial attacks. This finding motivates us to further investigate a new research problem: whether there exist universal adversarial perturbations that are able to jointly attack DNNs classifier and its interpretation with malicious desires. It is challenging to give an explicit answer since these two objectives are seemingly conflicting. In this paper, we propose a novel attacking framework to generate joint universal adversarial perturbations (JUAP), which can fool the DNNs model and misguide the inspection from interpreters simultaneously. Comprehensive experiments on various datasets demonstrate the effectiveness of the proposed method JUAP for joint attacks. To the best of our knowledge, this is the first effort to study UAP for jointly attacking both DNNs and interpretations.
MMMar 11, 2024Code
FashionReGen: LLM-Empowered Fashion Report GenerationYujuan Ding, Yunshan Ma, Wenqi Fan et al.
Fashion analysis refers to the process of examining and evaluating trends, styles, and elements within the fashion industry to understand and interpret its current state, generating fashion reports. It is traditionally performed by fashion professionals based on their expertise and experience, which requires high labour cost and may also produce biased results for relying heavily on a small group of people. In this paper, to tackle the Fashion Report Generation (FashionReGen) task, we propose an intelligent Fashion Analyzing and Reporting system based the advanced Large Language Models (LLMs), debbed as GPT-FAR. Specifically, it tries to deliver FashionReGen based on effective catwalk analysis, which is equipped with several key procedures, namely, catwalk understanding, collective organization and analysis, and report generation. By posing and exploring such an open-ended, complex and domain-specific task of FashionReGen, it is able to test the general capability of LLMs in fashion domain. It also inspires the explorations of more high-level tasks with industrial significance in other domains. Video illustration and more materials of GPT-FAR can be found in https://github.com/CompFashion/FashionReGen.
AIJul 31, 2024
Knowledge Pyramid Construction for Multi-Level Retrieval-Augmented GenerationRubing Chen, Xulu Zhang, Jiaxin Wu et al.
This paper addresses the need for improved precision in existing knowledge-enhanced question-answering frameworks, specifically Retrieval-Augmented Generation (RAG) methods that primarily focus on enhancing recall. We propose a multi-layer knowledge pyramid approach within the RAG framework to achieve a better balance between precision and recall. The knowledge pyramid consists of three layers: Ontologies, Knowledge Graphs (KGs), and chunk-based raw text. We employ cross-layer augmentation techniques for comprehensive knowledge coverage and dynamic updates of the Ontology schema and instances. To ensure compactness, we utilize cross-layer filtering methods for knowledge condensation in KGs. Our approach, named PolyRAG, follows a waterfall model for retrieval, starting from the top of the pyramid and progressing down until a confident answer is obtained. We introduce two benchmarks for domain-specific knowledge retrieval, one in the academic domain and the other in the financial domain. The effectiveness of the methods has been validated through comprehensive experiments by outperforming 19 SOTA methods. An encouraging observation is that the proposed method has augmented the GPT-4, providing 395% F1 gain by improving its performance from 0.1636 to 0.8109.
CLApr 18, 2024Code
Advancing the Robustness of Large Language Models through Self-Denoised SmoothingJiabao Ji, Bairu Hou, Zhen Zhang et al.
Although large language models (LLMs) have achieved significant success, their vulnerability to adversarial perturbations, including recent jailbreak attacks, has raised considerable concerns. However, the increasing size of these models and their limited access make improving their robustness a challenging task. Among various defense strategies, randomized smoothing has shown great potential for LLMs, as it does not require full access to the model's parameters or fine-tuning via adversarial training. However, randomized smoothing involves adding noise to the input before model prediction, and the final model's robustness largely depends on the model's performance on these noise corrupted data. Its effectiveness is often limited by the model's sub-optimal performance on noisy data. To address this issue, we propose to leverage the multitasking nature of LLMs to first denoise the noisy inputs and then to make predictions based on these denoised versions. We call this procedure self-denoised smoothing. Unlike previous denoised smoothing techniques in computer vision, which require training a separate model to enhance the robustness of LLMs, our method offers significantly better efficiency and flexibility. Our experimental results indicate that our method surpasses existing methods in both empirical and certified robustness in defending against adversarial attacks for both downstream tasks and human alignments (i.e., jailbreak attacks). Our code is publicly available at https://github.com/UCSB-NLP-Chang/SelfDenoise
LGFeb 26, 2025Code
Exploring Graph Tasks with Pure LLMs: A Comprehensive Benchmark and InvestigationYuxiang Wang, Xinnan Dai, Wenqi Fan et al.
Graph-structured data has become increasingly prevalent across various domains, raising the demand for effective models to handle graph tasks like node classification and link prediction. Traditional graph learning models like Graph Neural Networks (GNNs) have made significant strides, but their capabilities in handling graph data remain limited in certain contexts. In recent years, large language models (LLMs) have emerged as promising candidates for graph tasks, yet most studies focus primarily on performance benchmarks and fail to address their broader potential, including their ability to handle limited data, their transferability across tasks, and their robustness. In this work, we provide a comprehensive exploration of LLMs applied to graph tasks. We evaluate the performance of pure LLMs, including those without parameter optimization and those fine-tuned with instructions, across various scenarios. Our analysis goes beyond accuracy, assessing LLM ability to perform in few-shot/zero-shot settings, transfer across domains, understand graph structures, and demonstrate robustness in challenging scenarios. We conduct extensive experiments with 16 graph learning models alongside 6 LLMs (e.g., Llama3B, GPT-4o, Qwen-plus), comparing their performance on datasets like Cora, PubMed, ArXiv, and Products. Our findings show that LLMs, particularly those with instruction tuning, outperform traditional models in few-shot settings, exhibit strong domain transferability, and demonstrate excellent generalization and robustness. This work offers valuable insights into the capabilities of LLMs for graph learning, highlighting their advantages and potential for real-world applications, and paving the way for future research in this area. Codes and datasets are released in https://github.com/myflashbarry/LLM-benchmarking.
IRMar 12, 2025Code
Towards Next-Generation Recommender Systems: A Benchmark for Personalized Recommendation Assistant with LLMsJiani Huang, Shijie Wang, Liang-bo Ning et al.
Recommender systems (RecSys) are widely used across various modern digital platforms and have garnered significant attention. Traditional recommender systems usually focus only on fixed and simple recommendation scenarios, making it difficult to generalize to new and unseen recommendation tasks in an interactive paradigm. Recently, the advancement of large language models (LLMs) has revolutionized the foundational architecture of RecSys, driving their evolution into more intelligent and interactive personalized recommendation assistants. However, most existing studies rely on fixed task-specific prompt templates to generate recommendations and evaluate the performance of personalized assistants, which limits the comprehensive assessments of their capabilities. This is because commonly used datasets lack high-quality textual user queries that reflect real-world recommendation scenarios, making them unsuitable for evaluating LLM-based personalized recommendation assistants. To address this gap, we introduce RecBench+, a new dataset benchmark designed to access LLMs' ability to handle intricate user recommendation needs in the era of LLMs. RecBench+ encompasses a diverse set of queries that span both hard conditions and soft preferences, with varying difficulty levels. We evaluated commonly used LLMs on RecBench+ and uncovered below findings: 1) LLMs demonstrate preliminary abilities to act as recommendation assistants, 2) LLMs are better at handling queries with explicitly stated conditions, while facing challenges with queries that require reasoning or contain misleading information. Our dataset has been released at https://github.com/jiani-huang/RecBench.git.
LGJan 9
DeMa: Dual-Path Delay-Aware Mamba for Efficient Multivariate Time Series AnalysisRui An, Haohao Qu, Wenqi Fan et al.
Accurate and efficient multivariate time series (MTS) analysis is increasingly critical for a wide range of intelligent applications. Within this realm, Transformers have emerged as the predominant architecture due to their strong ability to capture pairwise dependencies. However, Transformer-based models suffer from quadratic computational complexity and high memory overhead, limiting their scalability and practical deployment in long-term and large-scale MTS modeling. Recently, Mamba has emerged as a promising linear-time alternative with high expressiveness. Nevertheless, directly applying vanilla Mamba to MTS remains suboptimal due to three key limitations: (i) the lack of explicit cross-variate modeling, (ii) difficulty in disentangling the entangled intra-series temporal dynamics and inter-series interactions, and (iii) insufficient modeling of latent time-lag interaction effects. These issues constrain its effectiveness across diverse MTS tasks. To address these challenges, we propose DeMa, a dual-path delay-aware Mamba backbone. DeMa preserves Mamba's linear-complexity advantage while substantially improving its suitability for MTS settings. Specifically, DeMa introduces three key innovations: (i) it decomposes the MTS into intra-series temporal dynamics and inter-series interactions; (ii) it develops a temporal path with a Mamba-SSD module to capture long-range dynamics within each individual series, enabling series-independent, parallel computation; and (iii) it designs a variate path with a Mamba-DALA module that integrates delay-aware linear attention to model cross-variate dependencies. Extensive experiments on five representative tasks, long- and short-term forecasting, data imputation, anomaly detection, and series classification, demonstrate that DeMa achieves state-of-the-art performance while delivering remarkable computational efficiency.
40.0IRApr 9Code
ReRec: Reasoning-Augmented LLM-based Recommendation Assistant via Reinforcement Fine-tuningJiani Huang, Shijie Wang, Liangbo Ning et al.
With the rise of LLMs, there is an increasing need for intelligent recommendation assistants that can handle complex queries and provide personalized, reasoning-driven recommendations. LLM-based recommenders show potential but face challenges in multi-step reasoning, underscoring the need for reasoning-augmented systems. To address this gap, we propose ReRec, a novel reinforcement fine-tuning (RFT) framework designed to improve LLM reasoning in complex recommendation tasks. Our framework introduces three key components: (1) Dual-Graph Enhanced Reward Shaping, integrating recommendation metrics like NDCG@K with Query Alignment and Preference Alignment Scores to provide fine-grained reward signals for LLM optimization; (2) Reasoning-aware Advantage Estimation, which decomposes LLM outputs into reasoning segments and penalizes incorrect steps to enhance reasoning of recommendation; and (3) Online Curriculum Scheduler, dynamically assess query difficulty and organize training curriculum to ensure stable learning during RFT. Experiments demonstrate that ReRec outperforms state-of-the-art baselines and preserves core abilities like instruction-following and general knowledge. Our codes are available at https://github.com/jiani-huang/ReRec.
CLMay 10, 2024
A Survey on RAG Meeting LLMs: Towards Retrieval-Augmented Large Language ModelsWenqi Fan, Yujuan Ding, Liangbo Ning et al.
As one of the most advanced techniques in AI, Retrieval-Augmented Generation (RAG) can offer reliable and up-to-date external knowledge, providing huge convenience for numerous tasks. Particularly in the era of AI-Generated Content (AIGC), the powerful capacity of retrieval in providing additional knowledge enables RAG to assist existing generative AI in producing high-quality outputs. Recently, Large Language Models (LLMs) have demonstrated revolutionary abilities in language understanding and generation, while still facing inherent limitations, such as hallucinations and out-of-date internal knowledge. Given the powerful abilities of RAG in providing the latest and helpful auxiliary information, Retrieval-Augmented Large Language Models (RA-LLMs) have emerged to harness external and authoritative knowledge bases, rather than solely relying on the model's internal knowledge, to augment the generation quality of LLMs. In this survey, we comprehensively review existing research studies in RA-LLMs, covering three primary technical perspectives: architectures, training strategies, and applications. As the preliminary knowledge, we briefly introduce the foundations and recent advances of LLMs. Then, to illustrate the practical significance of RAG for LLMs, we systematically review mainstream relevant work by their architectures, training strategies, and application areas, detailing specifically the challenges of each and the corresponding capabilities of RA-LLMs. Finally, to deliver deeper insights, we discuss current limitations and several promising directions for future research. Updated information about this survey can be found at https://advanced-recommender-systems.github.io/RAG-Meets-LLMs/
7.2SIApr 10
Balancing User Preferences by Social Networks: A Condition-Guided Social Recommendation Model for Mitigating Popularity BiasXin He, Wenqi Fan, Ruobing Wang et al.
Social recommendation models weave social interactions into their design to provide uniquely personalized recommendation results for users. However, social networks not only amplify the popularity bias in recommendation models, resulting in more frequent recommendation of hot items and fewer long-tail items, but also include a substantial amount of redundant information that is essentially meaningless for the model's performance. Existing social recommendation models often integrate the entire social network directly, with little effort to filter or adjust social information to mitigate popularity bias introduced by the social network. In this paper, we propose a Condition-Guided Social Recommendation Model (named CGSoRec) to mitigate the model's popularity bias by denoising the social network and adjusting the weights of user's social preferences. More specifically, CGSoRec first includes a Condition-Guided Social Denoising Model (CSD) to remove redundant social relations in the social network for capturing users' social preferences with items more precisely. Then, CGSoRec calculates users' social preferences based on denoised social network and adjusts the weights in users' social preferences to make them can counteract the popularity bias present in the recommendation model. At last, CGSoRec includes a Condition-Guided Diffusion Recommendation Model (CGD) to introduce the adjusted social preferences as conditions to control the recommendation results for a debiased direction. Comprehensive experiments on three real-world datasets demonstrate the effectiveness of our proposed method.
LGFeb 2
Generalized Optimal Classification Trees: A Mixed-Integer Programming ApproachJiancheng Tu, Wenqi Fan, Zhibin Wu
Global optimization of decision trees is a long-standing challenge in combinatorial optimization, yet such models play an important role in interpretable machine learning. Although the problem has been investigated for several decades, only recent advances in discrete optimization have enabled practical algorithms for solving optimal classification tree problems on real-world datasets. Mixed-integer programming (MIP) offers a high degree of modeling flexibility, and we therefore propose a MIP-based framework for learning optimal classification trees under nonlinear performance metrics, such as the F1-score, that explicitly addresses class imbalance. To improve scalability, we develop problem-specific acceleration techniques, including a tailored branch-and-cut algorithm, an instance-reduction scheme, and warm-start strategies. We evaluate the proposed approach on 50 benchmark datasets. The computational results show that the framework can efficiently optimize nonlinear metrics while achieving strong predictive performance and reduced solution times compared with existing methods.
CVFeb 26
SUPERGLASSES: Benchmarking Vision Language Models as Intelligent Agents for AI Smart GlassesZhuohang Jiang, Xu Yuan, Haohao Qu et al.
The rapid advancement of AI-powered smart glasses, one of the hottest wearable devices, has unlocked new frontiers for multimodal interaction, with Visual Question Answering (VQA) over external knowledge sources emerging as a core application. Existing Vision Language Models (VLMs) adapted to smart glasses are typically trained and evaluated on traditional multimodal datasets; however, these datasets lack the variety and realism needed to reflect smart glasses usage scenarios and diverge from their specific challenges, where accurately identifying the object of interest must precede any external knowledge retrieval. To bridge this gap, we introduce SUPERGLASSES, the first comprehensive VQA benchmark built on real-world data entirely collected by smart glasses devices. SUPERGLASSES comprises 2,422 egocentric image-question pairs spanning 14 image domains and 8 query categories, enriched with full search trajectories and reasoning annotations. We evaluate 26 representative VLMs on this benchmark, revealing significant performance gaps. To address the limitations of existing models, we further propose SUPERLENS, a multimodal smart glasses agent that enables retrieval-augmented answer generation by integrating automatic object detection, query decoupling, and multimodal web search. Our agent achieves state-of-the-art performance, surpassing GPT-4o by 2.19 percent, and highlights the need for task-specific solutions in smart glasses VQA scenarios.
AIAug 10, 2025Code
Benchmarking for Domain-Specific LLMs: A Case Study on Academia and BeyondRubing Chen, Jiaxin Wu, Jian Wang et al.
The increasing demand for domain-specific evaluation of large language models (LLMs) has led to the development of numerous benchmarks. These efforts often adhere to the principle of data scaling, relying on large corpora or extensive question-answer (QA) sets to ensure broad coverage. However, the impact of corpus and QA set design on the precision and recall of domain-specific LLM performance remains poorly understood. In this paper, we argue that data scaling is not always the optimal principle for domain-specific benchmark construction. Instead, we introduce Comp-Comp, an iterative benchmarking framework grounded in the principle of comprehensiveness and compactness. Comprehensiveness ensures semantic recall by covering the full breadth of the domain, while compactness improves precision by reducing redundancy and noise. To demonstrate the effectiveness of our approach, we present a case study conducted at a well-renowned university, resulting in the creation of PolyBench, a large-scale, high-quality academic benchmark. Although this study focuses on academia, the Comp-Comp framework is domain-agnostic and readily adaptable to a wide range of specialized fields. The source code and datasets can be accessed at https://github.com/Anya-RB-Chen/COMP-COMP.
QMJun 18, 2024Code
MolecularGPT: Open Large Language Model (LLM) for Few-Shot Molecular Property PredictionYuyan Liu, Sirui Ding, Sheng Zhou et al.
Molecular property prediction (MPP) is a fundamental and crucial task in drug discovery. However, prior methods are limited by the requirement for a large number of labeled molecules and their restricted ability to generalize for unseen and new tasks, both of which are essential for real-world applications. To address these challenges, we present MolecularGPT for few-shot MPP. From a perspective on instruction tuning, we fine-tune large language models (LLMs) based on curated molecular instructions spanning over 1000 property prediction tasks. This enables building a versatile and specialized LLM that can be adapted to novel MPP tasks without any fine-tuning through zero- and few-shot in-context learning (ICL). MolecularGPT exhibits competitive in-context reasoning capabilities across 10 downstream evaluation datasets, setting new benchmarks for few-shot molecular prediction tasks. More importantly, with just two-shot examples, MolecularGPT can outperform standard supervised graph neural network methods on 4 out of 7 datasets. It also excels state-of-the-art LLM baselines by up to 15.7% increase on classification accuracy and decrease of 17.9 on regression metrics (e.g., RMSE) under zero-shot. This study demonstrates the potential of LLMs as effective few-shot molecular property predictors. The code is available at https://github.com/NYUSHCS/MolecularGPT.
LGJan 29, 2024Code
BooleanOCT: Optimal Classification Trees based on multivariate Boolean RulesJiancheng Tu, Wenqi Fan, Zhibin Wu
The global optimization of classification trees has demonstrated considerable promise, notably in enhancing accuracy, optimizing size, and thereby improving human comprehensibility. While existing optimal classification trees substantially enhance accuracy over greedy-based tree models like CART, they still fall short when compared to the more complex black-box models, such as random forests. To bridge this gap, we introduce a new mixed-integer programming (MIP) formulation, grounded in multivariate Boolean rules, to derive the optimal classification tree. Our methodology integrates both linear metrics, including accuracy, balanced accuracy, and cost-sensitive cost, as well as nonlinear metrics such as the F1-score. The approach is implemented in an open-source Python package named BooleanOCT. We comprehensively benchmark these methods on the 36 datasets from the UCI machine learning repository. The proposed models demonstrate practical solvability on real-world datasets, effectively handling sizes in the tens of thousands. Aiming to maximize accuracy, this model achieves an average absolute improvement of 3.1\% and 1.5\% over random forests in small-scale and medium-sized datasets, respectively. Experiments targeting various objectives, including balanced accuracy, cost-sensitive cost, and F1-score, demonstrate the framework's wide applicability and its superiority over contemporary state-of-the-art optimal classification tree methods in small to medium-scale datasets.
IRAug 12, 2021Code
Graph Trend Filtering Networks for RecommendationsWenqi Fan, Xiaorui Liu, Wei Jin et al.
Recommender systems aim to provide personalized services to users and are playing an increasingly important role in our daily lives. The key of recommender systems is to predict how likely users will interact with items based on their historical online behaviors, e.g., clicks, add-to-cart, purchases, etc. To exploit these user-item interactions, there are increasing efforts on considering the user-item interactions as a user-item bipartite graph and then performing information propagation in the graph via Graph Neural Networks (GNNs). Given the power of GNNs in graph representation learning, these GNNs-based recommendation methods have remarkably boosted the recommendation performance. Despite their success, most existing GNNs-based recommender systems overlook the existence of interactions caused by unreliable behaviors (e.g., random/bait clicks) and uniformly treat all the interactions, which can lead to sub-optimal and unstable performance. In this paper, we investigate the drawbacks (e.g., non-adaptive propagation and non-robustness) of existing GNN-based recommendation methods. To address these drawbacks, we introduce a principled graph trend collaborative filtering method and propose the Graph Trend Filtering Networks for recommendations (GTN) that can capture the adaptive reliability of the interactions. Comprehensive experiments and ablation studies are presented to verify and understand the effectiveness of the proposed framework. Our implementation based on PyTorch is available at https://github.com/wenqifan03/GTN-SIGIR2022.
IRFeb 19, 2019Code
Graph Neural Networks for Social RecommendationWenqi Fan, Yao Ma, Qing Li et al.
In recent years, Graph Neural Networks (GNNs), which can naturally integrate node information and topological structure, have been demonstrated to be powerful in learning on graph data. These advantages of GNNs provide great potential to advance social recommendation since data in social recommender systems can be represented as user-user social graph and user-item graph; and learning latent factors of users and items is the key. However, building social recommender systems based on GNNs faces challenges. For example, the user-item graph encodes both interactions and their associated opinions; social relations have heterogeneous strengths; users involve in two graphs (e.g., the user-user social graph and the user-item graph). To address the three aforementioned challenges simultaneously, in this paper, we present a novel graph neural network framework (GraphRec) for social recommendations. In particular, we provide a principled approach to jointly capture interactions and opinions in the user-item graph and propose the framework GraphRec, which coherently models two graphs and heterogeneous strengths. Extensive experiments on two real-world datasets demonstrate the effectiveness of the proposed framework GraphRec. Our code is available at \url{https://github.com/wenqifan03/GraphRec-WWW19}
25.4IRApr 10
PriHA: A RAG-Enhanced LLM Framework for Primary Healthcare Assistant in Hong KongRichard Wai Cheung Chan, Shanru Lin, Ya-nan Ma et al.
To address the unsustainable rise in public health expenditures, the Hong Kong SAR Government is shifting its strategic focus to primary healthcare and encouraging citizens to use community resources to self-manage their health. However, official clinical guidelines are fragmented across disparate departments and formats, creating significant access barriers. While general-purpose Large Language Models (LLMs) such as ChatGPT and DeepSeek offer potential solutions for information accessibility, they are prone to generating factually inaccurate content due to a lack of localized and domain-specific knowledge. To this end, we propose a Retrieval-Augmented Generation-Enhanced LLM system as Primary Healthcare Assistant (PriHA) in Hong Kong. Specifically, a tri-stage pipeline is proposed that leverages a query optimizer to generalize user intent-oriented sub-queries, followed by a novel Dual Retrieval Augmented Generation (DRAG) architecture for mixed-source retrieval and context-reorganized generation. Comprehensive experiments and a detailed case study demonstrate that our proposed method can outperform both ablations and baseline in terms of accuracy and clarity. Our research provides a reliable and traceable dialogue retrieval framework for exploring other high-risk, localized application scenarios.
IRFeb 21, 2024
Linear-Time Graph Neural Networks for Scalable RecommendationsJiahao Zhang, Rui Xue, Wenqi Fan et al.
In an era of information explosion, recommender systems are vital tools to deliver personalized recommendations for users. The key of recommender systems is to forecast users' future behaviors based on previous user-item interactions. Due to their strong expressive power of capturing high-order connectivities in user-item interaction data, recent years have witnessed a rising interest in leveraging Graph Neural Networks (GNNs) to boost the prediction performance of recommender systems. Nonetheless, classic Matrix Factorization (MF) and Deep Neural Network (DNN) approaches still play an important role in real-world large-scale recommender systems due to their scalability advantages. Despite the existence of GNN-acceleration solutions, it remains an open question whether GNN-based recommender systems can scale as efficiently as classic MF and DNN methods. In this paper, we propose a Linear-Time Graph Neural Network (LTGNN) to scale up GNN-based recommender systems to achieve comparable scalability as classic MF approaches while maintaining GNNs' powerful expressiveness for superior prediction accuracy. Extensive experiments and ablation studies are presented to validate the effectiveness and scalability of the proposed algorithm. Our implementation based on PyTorch is available.
AIMar 30, 2025
A Survey of WebAgents: Towards Next-Generation AI Agents for Web Automation with Large Foundation ModelsLiangbo Ning, Ziran Liang, Zhuohang Jiang et al.
With the advancement of web techniques, they have significantly revolutionized various aspects of people's lives. Despite the importance of the web, many tasks performed on it are repetitive and time-consuming, negatively impacting overall quality of life. To efficiently handle these tedious daily tasks, one of the most promising approaches is to advance autonomous agents based on Artificial Intelligence (AI) techniques, referred to as AI Agents, as they can operate continuously without fatigue or performance degradation. In the context of the web, leveraging AI Agents -- termed WebAgents -- to automatically assist people in handling tedious daily tasks can dramatically enhance productivity and efficiency. Recently, Large Foundation Models (LFMs) containing billions of parameters have exhibited human-like language understanding and reasoning capabilities, showing proficiency in performing various complex tasks. This naturally raises the question: `Can LFMs be utilized to develop powerful AI Agents that automatically handle web tasks, providing significant convenience to users?' To fully explore the potential of LFMs, extensive research has emerged on WebAgents designed to complete daily web tasks according to user instructions, significantly enhancing the convenience of daily human life. In this survey, we comprehensively review existing research studies on WebAgents across three key aspects: architectures, training, and trustworthiness. Additionally, several promising directions for future research are explored to provide deeper insights.
LGApr 23, 2024
Graph Machine Learning in the Era of Large Language Models (LLMs)Wenqi Fan, Shijie Wang, Jiani Huang et al.
Graphs play an important role in representing complex relationships in various domains like social networks, knowledge graphs, and molecular discovery. With the advent of deep learning, Graph Neural Networks (GNNs) have emerged as a cornerstone in Graph Machine Learning (Graph ML), facilitating the representation and processing of graph structures. Recently, LLMs have demonstrated unprecedented capabilities in language tasks and are widely adopted in a variety of applications such as computer vision and recommender systems. This remarkable success has also attracted interest in applying LLMs to the graph domain. Increasing efforts have been made to explore the potential of LLMs in advancing Graph ML's generalization, transferability, and few-shot learning ability. Meanwhile, graphs, especially knowledge graphs, are rich in reliable factual knowledge, which can be utilized to enhance the reasoning capabilities of LLMs and potentially alleviate their limitations such as hallucinations and the lack of explainability. Given the rapid progress of this research direction, a systematic review summarizing the latest advancements for Graph ML in the era of LLMs is necessary to provide an in-depth understanding to researchers and practitioners. Therefore, in this survey, we first review the recent developments in Graph ML. We then explore how LLMs can be utilized to enhance the quality of graph features, alleviate the reliance on labeled data, and address challenges such as graph heterogeneity and out-of-distribution (OOD) generalization. Afterward, we delve into how graphs can enhance LLMs, highlighting their abilities to enhance LLM pre-training and inference. Furthermore, we investigate various applications and discuss the potential future directions in this promising field.
CRApr 13, 2025
CheatAgent: Attacking LLM-Empowered Recommender Systems via LLM AgentLiang-bo Ning, Shijie Wang, Wenqi Fan et al.
Recently, Large Language Model (LLM)-empowered recommender systems (RecSys) have brought significant advances in personalized user experience and have attracted considerable attention. Despite the impressive progress, the research question regarding the safety vulnerability of LLM-empowered RecSys still remains largely under-investigated. Given the security and privacy concerns, it is more practical to focus on attacking the black-box RecSys, where attackers can only observe the system's inputs and outputs. However, traditional attack approaches employing reinforcement learning (RL) agents are not effective for attacking LLM-empowered RecSys due to the limited capabilities in processing complex textual inputs, planning, and reasoning. On the other hand, LLMs provide unprecedented opportunities to serve as attack agents to attack RecSys because of their impressive capability in simulating human-like decision-making processes. Therefore, in this paper, we propose a novel attack framework called CheatAgent by harnessing the human-like capabilities of LLMs, where an LLM-based agent is developed to attack LLM-Empowered RecSys. Specifically, our method first identifies the insertion position for maximum impact with minimal input modification. After that, the LLM agent is designed to generate adversarial perturbations to insert at target positions. To further improve the quality of generated perturbations, we utilize the prompt tuning technique to improve attacking strategies via feedback from the victim RecSys iteratively. Extensive experiments across three real-world datasets demonstrate the effectiveness of our proposed attacking method.
CLFeb 8, 2025
Towards Trustworthy Retrieval Augmented Generation for Large Language Models: A SurveyBo Ni, Zheyuan Liu, Leyao Wang et al.
Retrieval-Augmented Generation (RAG) is an advanced technique designed to address the challenges of Artificial Intelligence-Generated Content (AIGC). By integrating context retrieval into content generation, RAG provides reliable and up-to-date external knowledge, reduces hallucinations, and ensures relevant context across a wide range of tasks. However, despite RAG's success and potential, recent studies have shown that the RAG paradigm also introduces new risks, including robustness issues, privacy concerns, adversarial attacks, and accountability issues. Addressing these risks is critical for future applications of RAG systems, as they directly impact their trustworthiness. Although various methods have been developed to improve the trustworthiness of RAG methods, there is a lack of a unified perspective and framework for research in this topic. Thus, in this paper, we aim to address this gap by providing a comprehensive roadmap for developing trustworthy RAG systems. We place our discussion around five key perspectives: reliability, privacy, safety, fairness, explainability, and accountability. For each perspective, we present a general framework and taxonomy, offering a structured approach to understanding the current challenges, evaluating existing solutions, and identifying promising future research directions. To encourage broader adoption and innovation, we also highlight the downstream applications where trustworthy RAG systems have a significant impact.