Suhang Wang

Minhua Lin, Juncheng Wu, Zijun Wang et al.

LLM agents are increasingly deployed as systems built around editable external harnesses, including prompts, skills, memories and tools, that shape task execution without changing model parameters. Harness self-evolution adapts such agents by updating these harnesses from execution evidence. Yet it remains unclear whether a model's base capability in task-solving predicts its capabilities in harness self-evolution: which models produce useful harness updates, and which actually benefit from them? We analyze two harness self-evolution capabilities: (i) harness-updating, the capability to produce useful persistent harness updates from execution evidence; (ii) harness-benefit, the capability to benefit from updated harnesses during task solving. Our analysis reveals two findings. First, harness-updating is flat in base capability: models from different capability tiers produce harness updates that lead to surprisingly similar gains; even Qwen3.5-9B's updates yield gains comparable to those of Claude Opus~4.6. Second, harness-benefit is non-monotonic in base capability: weak-tier models benefit little from updated harnesses, mid-tier models benefit most, and strong-tier models benefit less than mid-tier. We trace low gains at the weak tier to two failure modes: weak-tier models may fail to activate relevant harness artifacts, or activate them but fail to follow them faithfully. These findings suggest investing capability budget in the task-solving agent rather than the evolver, and targeting harness invocation and long-horizon instruction following in agent training. Our source code is publicly available at https://github.com/A-EVO-Lab/a-evolve/tree/release/harness-evolution.

Zhimeng Guo, Teng Xiao, Zongyu Wu et al.

Graph-structured data are pervasive in the real-world such as social networks, molecular graphs and transaction networks. Graph neural networks (GNNs) have achieved great success in representation learning on graphs, facilitating various downstream tasks. However, GNNs have several drawbacks such as lacking interpretability, can easily inherit the bias of data and cannot model casual relations. Recently, counterfactual learning on graphs has shown promising results in alleviating these drawbacks. Various approaches have been proposed for counterfactual fairness, explainability, link prediction and other applications on graphs. To facilitate the development of this promising direction, in this survey, we categorize and comprehensively review papers on graph counterfactual learning. We divide existing methods into four categories based on problems studied. For each category, we provide background and motivating examples, a general framework summarizing existing works and a detailed review of these works. We point out promising future research directions at the intersection of graph-structured data, counterfactual learning, and real-world applications. To offer a comprehensive view of resources for future studies, we compile a collection of open-source implementations, public datasets, and commonly-used evaluation metrics. This survey aims to serve as a ``one-stop-shop'' for building a unified understanding of graph counterfactual learning categories and current resources. We also maintain a repository for papers and resources and will keep updating the repository https://github.com/TimeLovercc/Awesome-Graph-Causal-Learning.

Shijie Zhou, Zhimeng Guo, Charu Aggarwal et al.

Link prediction is an important task that has wide applications in various domains. However, the majority of existing link prediction approaches assume the given graph follows homophily assumption, and designs similarity-based heuristics or representation learning approaches to predict links. However, many real-world graphs are heterophilic graphs, where the homophily assumption does not hold, which challenges existing link prediction methods. Generally, in heterophilic graphs, there are many latent factors causing the link formation, and two linked nodes tend to be similar in one or two factors but might be dissimilar in other factors, leading to low overall similarity. Thus, one way is to learn disentangled representation for each node with each vector capturing the latent representation of a node on one factor, which paves a way to model the link formation in heterophilic graphs, resulting in better node representation learning and link prediction performance. However, the work on this is rather limited. Therefore, in this paper, we study a novel problem of exploring disentangled representation learning for link prediction on heterophilic graphs. We propose a novel framework DisenLink which can learn disentangled representations by modeling the link formation and perform factor-aware message-passing to facilitate link prediction. Extensive experiments on 13 real-world datasets demonstrate the effectiveness of DisenLink for link prediction on both heterophilic and hemophiliac graphs. Our codes are available at https://github.com/sjz5202/DisenLink

Zhimeng Guo, Jialiang Li, Teng Xiao et al.

Graph neural networks have shown great ability in representation (GNNs) learning on graphs, facilitating various tasks. Despite their great performance in modeling graphs, recent works show that GNNs tend to inherit and amplify the bias from training data, causing concerns of the adoption of GNNs in high-stake scenarios. Hence, many efforts have been taken for fairness-aware GNNs. However, most existing fair GNNs learn fair node representations by adopting statistical fairness notions, which may fail to alleviate bias in the presence of statistical anomalies. Motivated by causal theory, there are several attempts utilizing graph counterfactual fairness to mitigate root causes of unfairness. However, these methods suffer from non-realistic counterfactuals obtained by perturbation or generation. In this paper, we take a causal view on fair graph learning problem. Guided by the casual analysis, we propose a novel framework CAF, which can select counterfactuals from training data to avoid non-realistic counterfactuals and adopt selected counterfactuals to learn fair node representations for node classification task. Extensive experiments on synthetic and real-world datasets show the effectiveness of CAF. Our code is available at https://github.com/TimeLovercc/CAF-GNN.

Enyan Dai, Tianxiang Zhao, Huaisheng Zhu et al.

Graph Neural Networks (GNNs) have made rapid developments in the recent years. Due to their great ability in modeling graph-structured data, GNNs are vastly used in various applications, including high-stakes scenarios such as financial analysis, traffic predictions, and drug discovery. Despite their great potential in benefiting humans in the real world, recent study shows that GNNs can leak private information, are vulnerable to adversarial attacks, can inherit and magnify societal bias from training data and lack interpretability, which have risk of causing unintentional harm to the users and society. For example, existing works demonstrate that attackers can fool the GNNs to give the outcome they desire with unnoticeable perturbation on training graph. GNNs trained on social networks may embed the discrimination in their decision process, strengthening the undesirable societal bias. Consequently, trustworthy GNNs in various aspects are emerging to prevent the harm from GNN models and increase the users' trust in GNNs. In this paper, we give a comprehensive survey of GNNs in the computational aspects of privacy, robustness, fairness, and explainability. For each aspect, we give the taxonomy of the related methods and formulate the general frameworks for the multiple categories of trustworthy GNNs. We also discuss the future research directions of each aspect and connections between these aspects to help achieve trustworthiness.

Bowen Jin, Hansi Zeng, Guoyin Wang et al.

Semantic identifier (ID) is an important concept in information retrieval that aims to preserve the semantics of objects such as documents and items inside their IDs. Previous studies typically adopt a two-stage pipeline to learn semantic IDs by first procuring embeddings using off-the-shelf text encoders and then deriving IDs based on the embeddings. However, each step introduces potential information loss, and there is usually an inherent mismatch between the distribution of embeddings within the latent space produced by text encoders and the anticipated distribution required for semantic indexing. It is non-trivial to design a method that can learn the document's semantic representations and its hierarchical structure simultaneously, given that semantic IDs are discrete and sequentially structured, and the semantic supervision is deficient. In this paper, we introduce LMIndexer, a self-supervised framework to learn semantic IDs with a generative language model. We tackle the challenge of sequential discrete ID by introducing a semantic indexer capable of generating neural sequential discrete representations with progressive training and contrastive learning. In response to the semantic supervision deficiency, we propose to train the model with a self-supervised document reconstruction objective. We show the high quality of the learned IDs and demonstrate their effectiveness on three tasks including recommendation, product search, and document retrieval on five datasets from various domains. Code is available at https://github.com/PeterGriffinJin/LMIndexer.

Wei Jin, Haitao Mao, Zheng Li et al.

Modeling customer shopping intentions is a crucial task for e-commerce, as it directly impacts user experience and engagement. Thus, accurately understanding customer preferences is essential for providing personalized recommendations. Session-based recommendation, which utilizes customer session data to predict their next interaction, has become increasingly popular. However, existing session datasets have limitations in terms of item attributes, user diversity, and dataset scale. As a result, they cannot comprehensively capture the spectrum of user behaviors and preferences. To bridge this gap, we present the Amazon Multilingual Multi-locale Shopping Session Dataset, namely Amazon-M2. It is the first multilingual dataset consisting of millions of user sessions from six different locales, where the major languages of products are English, German, Japanese, French, Italian, and Spanish. Remarkably, the dataset can help us enhance personalization and understanding of user preferences, which can benefit various existing tasks as well as enable new tasks. To test the potential of the dataset, we introduce three tasks in this work: (1) next-product recommendation, (2) next-product recommendation with domain shifts, and (3) next-product title generation. With the above tasks, we benchmark a range of algorithms on our proposed dataset, drawing new insights for further research and practice. In addition, based on the proposed dataset and tasks, we hosted a competition in the KDD CUP 2023 and have attracted thousands of users and submissions. The winning solutions and the associated workshop can be accessed at our website https://kddcup23.github.io/.

Minhua Lin, Teng Xiao, Enyan Dai et al.

Graph Contrastive Learning (GCL) has emerged as a popular unsupervised graph representation learning method. However, it has been shown that GCL is vulnerable to adversarial attacks on both the graph structure and node attributes. Although empirical approaches have been proposed to enhance the robustness of GCL, the certifiable robustness of GCL is still remain unexplored. In this paper, we develop the first certifiably robust framework in GCL. Specifically, we first propose a unified criteria to evaluate and certify the robustness of GCL. We then introduce a novel technique, RES (Randomized Edgedrop Smoothing), to ensure certifiable robustness for any GCL model, and this certified robustness can be provably preserved in downstream tasks. Furthermore, an effective training method is proposed for robust GCL. Extensive experiments on real-world datasets demonstrate the effectiveness of our proposed method in providing effective certifiable robustness and enhancing the robustness of any GCL model. The source code of RES is available at https://github.com/ventr1c/RES-GCL.

Saptarshi Sengupta, Suhang Wang

Recently, there has been increased interest in Small Language Models (SLMs), which are fast, show good performance, and have lower hardware demands than large language models (LLMs). However, SLMs hallucinate more frequently than LLMs, impacting their ability to solve complex multi-step reasoning problems as early mistakes cascade to the final response. To address this, existing works think-first followed by iterative retrieval to reduce hallucination. We argue that the think-first strategy is not always necessary as we find that: (i) SLMs are often accurately confident in their initial answer and, (ii) hallucinations can actually be beneficial for honing in on the true answer. As such, we position our work as an inversion of this strategy, i.e., answer first-reason later. We propose a cognitively-inspired framework where the model is first allowed to quickly answer the question (System-I (zero-shot)) and then resorts to deeper thinking (System-II) based on evidence retrieved from a knowledge source using the initial hypothesis. By combining System-I and System-II style thinking, we show that our method can outperform prior work that takes the traditional think-first route on various multi-step question-answering benchmarks.

Yang Li, Kangbo Liu, Ranjan Satapathy et al.

In this technical survey, we comprehensively summarize the latest advancements in the field of recommender systems. The objective of this study is to provide an overview of the current state-of-the-art in the field and highlight the latest trends in the development of recommender systems. The study starts with a comprehensive summary of the main taxonomy of recommender systems, including personalized and group recommender systems, and then delves into the category of knowledge-based recommender systems. In addition, the survey analyzes the robustness, data bias, and fairness issues in recommender systems, summarizing the evaluation metrics used to assess the performance of these systems. Finally, the study provides insights into the latest trends in the development of recommender systems and highlights the new directions for future research in the field.

Enyan Dai, Minhua Lin, Xiang Zhang et al.

Graph Neural Networks (GNNs) have achieved promising results in various tasks such as node classification and graph classification. Recent studies find that GNNs are vulnerable to adversarial attacks. However, effective backdoor attacks on graphs are still an open problem. In particular, backdoor attack poisons the graph by attaching triggers and the target class label to a set of nodes in the training graph. The backdoored GNNs trained on the poisoned graph will then be misled to predict test nodes to target class once attached with triggers. Though there are some initial efforts in graph backdoor attacks, our empirical analysis shows that they may require a large attack budget for effective backdoor attacks and the injected triggers can be easily detected and pruned. Therefore, in this paper, we study a novel problem of unnoticeable graph backdoor attacks with limited attack budget. To fully utilize the attack budget, we propose to deliberately select the nodes to inject triggers and target class labels in the poisoning phase. An adaptive trigger generator is deployed to obtain effective triggers that are difficult to be noticed. Extensive experiments on real-world datasets against various defense strategies demonstrate the effectiveness of our proposed method in conducting effective unnoticeable backdoor attacks.

Teng Xiao, Huaisheng Zhu, Zhengyu Chen et al.

Graph Contrastive Learning (GCL) has shown superior performance in representation learning in graph-structured data. Despite their success, most existing GCL methods rely on prefabricated graph augmentation and homophily assumptions. Thus, they fail to generalize well to heterophilic graphs where connected nodes may have different class labels and dissimilar features. In this paper, we study the problem of conducting contrastive learning on homophilic and heterophilic graphs. We find that we can achieve promising performance simply by considering an asymmetric view of the neighboring nodes. The resulting simple algorithm, Asymmetric Contrastive Learning for Graphs (GraphACL), is easy to implement and does not rely on graph augmentations and homophily assumptions. We provide theoretical and empirical evidence that GraphACL can capture one-hop local neighborhood information and two-hop monophily similarity, which are both important for modeling heterophilic graphs. Experimental results show that the simple GraphACL significantly outperforms state-of-the-art graph contrastive learning and self-supervised learning methods on homophilic and heterophilic graphs. The code of GraphACL is available at https://github.com/tengxiao1/GraphACL.

Tianxiang Zhao, Wenchao Yu, Suhang Wang et al.

Imitation learning has achieved great success in many sequential decision-making tasks, in which a neural agent is learned by imitating collected human demonstrations. However, existing algorithms typically require a large number of high-quality demonstrations that are difficult and expensive to collect. Usually, a trade-off needs to be made between demonstration quality and quantity in practice. Targeting this problem, in this work we consider the imitation of sub-optimal demonstrations, with both a small clean demonstration set and a large noisy set. Some pioneering works have been proposed, but they suffer from many limitations, e.g., assuming a demonstration to be of the same optimality throughout time steps and failing to provide any interpretation w.r.t knowledge learned from the noisy set. Addressing these problems, we propose {\method} by evaluating and imitating at the sub-demonstration level, encoding action primitives of varying quality into different skills. Concretely, {\method} consists of a high-level controller to discover skills and a skill-conditioned module to capture action-taking policies, and is trained following a two-phase pipeline by first discovering skills with all demonstrations and then adapting the controller to only the clean set. A mutual-information-based regularization and a dynamic sub-demonstration optimality estimator are designed to promote disentanglement in the skill space. Extensive experiments are conducted over two gym environments and a real-world healthcare dataset to demonstrate the superiority of {\method} in learning from sub-optimal demonstrations and its improved interpretability by examining learned skills.

Tianxiang Zhao, Dongsheng Luo, Xiang Zhang et al.

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over recent years. Instance-level GNN explanation aims to discover critical input elements, like nodes or edges, that the target GNN relies upon for making predictions. Though various algorithms are proposed, most of them formalize this task by searching the minimal subgraph which can preserve original predictions. However, an inductive bias is deep-rooted in this framework: several subgraphs can result in the same or similar outputs as the original graphs. Consequently, they have the danger of providing spurious explanations and fail to provide consistent explanations. Applying them to explain weakly-performed GNNs would further amplify these issues. To address this problem, we theoretically examine the predictions of GNNs from the causality perspective. Two typical reasons of spurious explanations are identified: confounding effect of latent variables like distribution shift, and causal factors distinct from the original input. Observing that both confounding effects and diverse causal rationales are encoded in internal representations, we propose a simple yet effective countermeasure by aligning embeddings. Concretely, concerning potential shifts in the high-dimensional space, we design a distribution-aware alignment algorithm based on anchors. This new objective is easy to compute and can be incorporated into existing techniques with no or little effort. Theoretical analysis shows that it is in effect optimizing a more faithful explanation objective in design, which further justifies the proposed approach.

Junjie Xu, Enyan Dai, Xiang Zhang et al.

Graph neural networks (GNNs) have achieved great success in various graph problems. However, most GNNs are Message Passing Neural Networks (MPNNs) based on the homophily assumption, where nodes with the same label are connected in graphs. Real-world problems bring us heterophily problems, where nodes with different labels are connected in graphs. MPNNs fail to address the heterophily problem because they mix information from different distributions and are not good at capturing global patterns. Therefore, we investigate a novel Graph Memory Networks model on Heterophilous Graphs (HP-GMN) to the heterophily problem in this paper. In HP-GMN, local information and global patterns are learned by local statistics and the memory to facilitate the prediction. We further propose regularization terms to help the memory learn global information. We conduct extensive experiments to show that our method achieves state-of-the-art performance on both homophilous and heterophilous graphs.

Tianxiang Zhao, Dongsheng Luo, Xiang Zhang et al.

Graph serves as a powerful tool for modeling data that has an underlying structure in non-Euclidean space, by encoding relations as edges and entities as nodes. Despite developments in learning from graph-structured data over the years, one obstacle persists: graph imbalance. Although several attempts have been made to target this problem, they are limited to considering only class-level imbalance. In this work, we argue that for graphs, the imbalance is likely to exist at the sub-class topology group level. Due to the flexibility of topology structures, graphs could be highly diverse, and learning a generalizable classification boundary would be difficult. Therefore, several majority topology groups may dominate the learning process, rendering others under-represented. To address this problem, we propose a new framework {\method} and design (1 a topology extractor, which automatically identifies the topology group for each instance with explicit memory cells, (2 a training modulator, which modulates the learning process of the target GNN model to prevent the case of topology-group-wise under-representation. {\method} can be used as a key component in GNN models to improve their performances under the data imbalance setting. Analyses on both topology-level imbalance and the proposed {\method} are provided theoretically, and we empirically verify its effectiveness with both node-level and graph-level classification as the target tasks.

Teng Xiao, Zhengyu Chen, Donglin Wang et al.

This paper studies the problem of learning message propagation strategies for graph neural networks (GNNs). One of the challenges for graph neural networks is that of defining the propagation strategy. For instance, the choices of propagation steps are often specialized to a single graph and are not personalized to different nodes. To compensate for this, in this paper, we present learning to propagate, a general learning framework that not only learns the GNN parameters for prediction but more importantly, can explicitly learn the interpretable and personalized propagate strategies for different nodes and various types of graphs. We introduce the optimal propagation steps as latent variables to help find the maximum-likelihood estimation of the GNN parameters in a variational Expectation-Maximization (VEM) framework. Extensive experiments on various types of graph benchmarks demonstrate that our proposed framework can significantly achieve better performance compared with the state-of-the-art methods, and can effectively learn personalized and interpretable propagate strategies of messages in GNNs.

Minhua Lin, Zhiwei Zhang, Hanqing Lu et al.

Memory-augmented LLM agents maintain external memory banks to support long-horizon interaction, yet most existing systems treat construction, retrieval, and utilization as isolated subroutines. This creates two coupled challenges: strategic blindness on the forward path of the memory cycle, where construction and retrieval are driven by local heuristics rather than explicit strategic reasoning, and sparse, delayed supervision on the backward path, where downstream failures rarely translate into direct repairs of the memory bank. To address these challenges, we propose MemMA, a plug-and-play multi-agent framework that coordinates the memory cycle along both the forward and backward paths. On the forward path, a Meta-Thinker produces structured guidance that steers a Memory Manager during construction and directs a Query Reasoner during iterative retrieval. On the backward path, MemMA introduces in-situ self-evolving memory construction, which synthesizes probe QA pairs, verifies the current memory, and converts failures into repair actions before the memory is finalized. Extensive experiments on LoCoMo show that MemMA consistently outperforms existing baselines across multiple LLM backbones and improves three different storage backends in a plug-and-play manner. Our code is publicly available at https://github.com/ventr1c/memma.

Tianxiang Zhao, Dongsheng Luo, Xiang Zhang et al.

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over recent years. Instance-level GNN explanation aims to discover critical input elements, like nodes or edges, that the target GNN relies upon for making predictions. %These identified sub-structures can provide interpretations of GNN's behavior. Though various algorithms are proposed, most of them formalize this task by searching the minimal subgraph which can preserve original predictions. However, an inductive bias is deep-rooted in this framework: several subgraphs can result in the same or similar outputs as the original graphs. Consequently, they have the danger of providing spurious explanations and failing to provide consistent explanations. Applying them to explain weakly-performed GNNs would further amplify these issues. To address this problem, we theoretically examine the predictions of GNNs from the causality perspective. Two typical reasons for spurious explanations are identified: confounding effect of latent variables like distribution shift, and causal factors distinct from the original input. Observing that both confounding effects and diverse causal rationales are encoded in internal representations, \tianxiang{we propose a new explanation framework with an auxiliary alignment loss, which is theoretically proven to be optimizing a more faithful explanation objective intrinsically. Concretely for this alignment loss, a set of different perspectives are explored: anchor-based alignment, distributional alignment based on Gaussian mixture models, mutual-information-based alignment, etc. A comprehensive study is conducted both on the effectiveness of this new framework in terms of explanation faithfulness/consistency and on the advantages of these variants.

Tianxiang Zhao, Xiang Zhang, Suhang Wang

In recent years, graph neural networks (GNNs) have achieved state-of-the-art performance for node classification. However, most existing GNNs would suffer from the graph imbalance problem. In many real-world scenarios, node classes are imbalanced, with some majority classes making up most parts of the graph. The message propagation mechanism in GNNs would further amplify the dominance of those majority classes, resulting in sub-optimal classification performance. In this work, we seek to address this problem by generating pseudo instances of minority classes to balance the training data, extending previous over-sampling-based techniques. This task is non-trivial, as those techniques are designed with the assumption that instances are independent. Neglection of relation information would complicate this oversampling process. Furthermore, the node classification task typically takes the semi-supervised setting with only a few labeled nodes, providing insufficient supervision for the generation of minority instances. Generated new nodes of low quality would harm the trained classifier. In this work, we address these difficulties by synthesizing new nodes in a constructed embedding space, which encodes both node attributes and topology information. Furthermore, an edge generator is trained simultaneously to model the graph structure and provide relations for new samples. To further improve the data efficiency, we also explore synthesizing mixed ``in-between'' nodes to utilize nodes from the majority class in this over-sampling process. Experiments on real-world datasets validate the effectiveness of our proposed framework.

Saptarshi Sengupta, Wenpeng Yin, Preslav Nakov et al.

In this paper, we investigate Extractive Question Answering (EQA) with Large Language Models (LLMs) under domain drift, i.e., can LLMs generalize to domains that require specific knowledge such as medicine and law in a zero-shot fashion without additional in-domain training? To this end, we devise a series of experiments to explain the performance gap empirically. Our findings suggest that: (a) LLMs struggle with dataset demands of closed domains such as retrieving long answer spans; (b) Certain LLMs, despite showing strong overall performance, display weaknesses in meeting basic requirements as discriminating between domain-specific senses of words which we link to pre-processing decisions; (c) Scaling model parameters is not always effective for cross domain generalization; and (d) Closed-domain datasets are quantitatively much different than open-domain EQA datasets and current LLMs struggle to deal with them. Our findings point out important directions for improving existing LLMs.

Enyan Dai, Limeng Cui, Zhengyang Wang et al.

Graph Neural Networks (GNNs) have achieved great success in modeling graph-structured data. However, recent works show that GNNs are vulnerable to adversarial attacks which can fool the GNN model to make desired predictions of the attacker. In addition, training data of GNNs can be leaked under membership inference attacks. This largely hinders the adoption of GNNs in high-stake domains such as e-commerce, finance and bioinformatics. Though investigations have been made in conducting robust predictions and protecting membership privacy, they generally fail to simultaneously consider the robustness and membership privacy. Therefore, in this work, we study a novel problem of developing robust and membership privacy-preserving GNNs. Our analysis shows that Information Bottleneck (IB) can help filter out noisy information and regularize the predictions on labeled samples, which can benefit robustness and membership privacy. However, structural noises and lack of labels in node classification challenge the deployment of IB on graph-structured data. To mitigate these issues, we propose a novel graph information bottleneck framework that can alleviate structural noises with neighbor bottleneck. Pseudo labels are also incorporated in the optimization to minimize the gap between the predictions on the labeled set and unlabeled set for membership privacy. Extensive experiments on real-world datasets demonstrate that our method can give robust predictions and simultaneously preserve membership privacy.

Saptarshi Sengupta, Connor Heaton, Shreya Ghosh et al.

We study extractive question-answering in the medical domain (Medical-EQA). This problem has two main challenges: (i) domain specificity, as most AI models lack necessary domain knowledge, and (ii) extraction-based answering style, which restricts most autoregressive LLMs due to potential hallucinations. To handle those challenges, we propose TOP-Training, a target-oriented pre-training paradigm that stands out among all domain adaptation techniques with two desirable features: (i) TOP-Training moves one step further than popular domain-oriented fine-tuning since it not only moves closer to the target domain, but also familiarizes itself with the target dataset, and (ii) it does not assume the existence of a large set of unlabeled instances from the target domain. Specifically, for a target Medical-EQA dataset, we extract its entities and leverage large language models (LLMs) to generate synthetic texts containing those entities; we then demonstrate that pretraining on this synthetic text data yields better performance on the target Medical-EQA benchmarks. Overall, our contributions are threefold: (i) TOP-Training, a new pretraining technique to effectively adapt LLMs to better solve a target problem, (ii) TOP-Training has a wide application scope because it does not require the target problem to have a large set of unlabeled data, and (iii) our experiments highlight the limitations of autoregressive LLMs, emphasizing TOP-Training as a means to unlock the true potential of bidirectional LLMs.

Enyan Dai, Suhang Wang

Graph Neural Networks (GNNs) have shown great ability in modeling graph-structured data for various domains. However, GNNs are known as black-box models that lack interpretability. Without understanding their inner working, we cannot fully trust them, which largely limits their adoption in high-stake scenarios. Though some initial efforts have been taken to interpret the predictions of GNNs, they mainly focus on providing post-hoc explanations using an additional explainer, which could misrepresent the true inner working mechanism of the target GNN. The works on self-explainable GNNs are rather limited. Therefore, we study a novel problem of learning prototype-based self-explainable GNNs that can simultaneously give accurate predictions and prototype-based explanations on predictions. We design a framework which can learn prototype graphs that capture representative patterns of each class as class-level explanations. The learned prototypes are also used to simultaneously make prediction for for a test instance and provide instance-level explanation. Extensive experiments on real-world and synthetic datasets show the effectiveness of the proposed framework for both prediction accuracy and explanation quality.

Teng Xiao, Zhengyu Chen, Zhimeng Guo et al.

This paper studies the problem of conducting self-supervised learning for node representation learning on graphs. Most existing self-supervised learning methods assume the graph is homophilous, where linked nodes often belong to the same class or have similar features. However, such assumptions of homophily do not always hold in real-world graphs. We address this problem by developing a decoupled self-supervised learning (DSSL) framework for graph neural networks. DSSL imitates a generative process of nodes and links from latent variable modeling of the semantic structure, which decouples different underlying semantics between different neighborhoods into the self-supervised learning process. Our DSSL framework is agnostic to the encoders and does not need prefabricated augmentations, thus is flexible to different graphs. To effectively optimize the framework, we derive the evidence lower bound of the self-supervised objective and develop a scalable training algorithm with variational inference. We provide a theoretical analysis to justify that DSSL enjoys the better downstream performance. Extensive experiments on various types of graph benchmarks demonstrate that our proposed framework can achieve better performance compared with competitive baselines.

Xianren Zhang, Dongwon Lee, Suhang Wang

As deep vision models' popularity rapidly increases, there is a growing emphasis on explanations for model predictions. The inherently explainable attribution method aims to enhance the understanding of model behavior by identifying the important regions in images that significantly contribute to predictions. It is achieved by cooperatively training a selector (generating an attribution map to identify important features) and a predictor (making predictions using the identified features). Despite many advancements, existing methods suffer from the incompleteness problem, where discriminative features are masked out, and the interlocking problem, where the non-optimized selector initially selects noise, causing the predictor to fit on this noise and perpetuate the cycle. To address these problems, we introduce a new objective that discourages the presence of discriminative features in the masked-out regions thus enhancing the comprehensiveness of feature selection. A pre-trained detector is introduced to detect discriminative features in the masked-out region. If the selector selects noise instead of discriminative features, the detector can observe and break the interlocking situation by penalizing the selector. Extensive experiments show that our model makes accurate predictions with higher accuracy than the regular black-box model, and produces attribution maps with high feature coverage, localization ability, fidelity and robustness. Our code will be available at \href{https://github.com/Zood123/COMET}{https://github.com/Zood123/COMET}.

Ruihao Pan, Suhang Wang

Machine unlearning aims to remove the influence of specific data from trained language models. In real-world deployments, unlearning requests often arrive sequentially, which challenges existing fine-tuning-based methods: fine-tuning each request is costly, accumulates utility loss, and may cause cross-request interference. To address these issues, we propose ICCU (In-Context Continual Unlearning), an in-context continual unlearning framework that induces readable refusal rules from unlearning datasets and applies them at inference time either as a filter or via the system prompt, without modifying model parameters. Because rules are accumulated as an order-independent union, ICCU is compositional and free of cross-request interference, and the original forget-set data can be discarded after rule induction. Extensive experiments show that ICCU effectively suppresses target knowledge while preserving utility, scales across sequential requests, and remains robust to paraphrased and cross-lingual queries.

Huaisheng Zhu, Guoji Fu, Zhimeng Guo et al.

Graph Neural Networks (GNNs) have shown great power in various domains. However, their predictions may inherit societal biases on sensitive attributes, limiting their adoption in real-world applications. Although many efforts have been taken for fair GNNs, most existing works just adopt widely used fairness techniques in machine learning to graph domains and ignore or don't have a thorough understanding of the message passing mechanism with fairness constraints, which is a distinctive feature of GNNs. To fill the gap, we propose a novel fairness-aware message passing framework GMMD, which is derived from an optimization problem that considers both graph smoothness and representation fairness. GMMD can be intuitively interpreted as encouraging a node to aggregate representations of other nodes from different sensitive groups while subtracting representations of other nodes from the same sensitive group, resulting in fair representations. We also provide a theoretical analysis to justify that GMMD can guarantee fairness, which leads to a simpler and theory-guided variant GMMD-S. Extensive experiments on graph benchmarks show that our proposed framework can significantly improve the fairness of various backbone GNN models while maintaining high accuracy.

Tianxiang Zhao, Wenchao Yu, Suhang Wang et al.

Imitation learning, which learns agent policy by mimicking expert demonstration, has shown promising results in many applications such as medical treatment regimes and self-driving vehicles. However, it remains a difficult task to interpret control policies learned by the agent. Difficulties mainly come from two aspects: 1) agents in imitation learning are usually implemented as deep neural networks, which are black-box models and lack interpretability; 2) the latent causal mechanism behind agents' decisions may vary along the trajectory, rather than staying static throughout time steps. To increase transparency and offer better interpretability of the neural agent, we propose to expose its captured knowledge in the form of a directed acyclic causal graph, with nodes being action and state variables and edges denoting the causal relations behind predictions. Furthermore, we design this causal discovery process to be state-dependent, enabling it to model the dynamics in latent causal graphs. Concretely, we conduct causal discovery from the perspective of Granger causality and propose a self-explainable imitation learning framework, {\method}. The proposed framework is composed of three parts: a dynamic causal discovery module, a causality encoding module, and a prediction module, and is trained in an end-to-end manner. After the model is learned, we can obtain causal relations among states and action variables behind its decisions, exposing policies learned by it. Experimental results on both synthetic and real-world datasets demonstrate the effectiveness of the proposed {\method} in learning the dynamic causal graphs for understanding the decision-making of imitation learning meanwhile maintaining high prediction accuracy.

Junjie Xu, Enyan Dai, Dongsheng Luo et al.

Spectral Graph Neural Networks (GNNs) are gaining attention for their ability to surpass the limitations of message-passing GNNs. They rely on supervision from downstream tasks to learn spectral filters that capture the graph signal's useful frequency information. However, some works empirically show that the preferred graph frequency is related to the graph homophily level. This relationship between graph frequency and graphs with homophily/heterophily has not been systematically analyzed and considered in existing spectral GNNs. To mitigate this gap, we conduct theoretical and empirical analyses revealing a positive correlation between low-frequency importance and the homophily ratio, and a negative correlation between high-frequency importance and the homophily ratio. Motivated by this, we propose shape-aware regularization on a Newton Interpolation-based spectral filter that can (i) learn an arbitrary polynomial spectral filter and (ii) incorporate prior knowledge about the desired shape of the corresponding homophily level. Comprehensive experiments demonstrate that NewtonNet can achieve graph spectral filters with desired shapes and superior performance on both homophilous and heterophilous datasets.

Pengfei He, Zhenwei Dai, Xianfeng Tang et al.

Large Language Model-based Multi-Agent Systems (LLM-MAS) have demonstrated strong capabilities in solving complex tasks but remain vulnerable when agents receive unreliable messages. This vulnerability stems from a fundamental gap: LLM agents treat all incoming messages equally without evaluating their trustworthiness. While some existing studies approach trustworthiness, they focus on a single type of harmfulness rather than analyze it in a holistic approach from multiple trustworthiness perspectives. We address this gap by proposing a comprehensive definition of trustworthiness inspired by human communication theory (Grice, 1975). Our definition identifies six orthogonal trust dimensions that provide interpretable measures of trustworthiness. Building on this definition, we introduce the Attention Trust Score (A -Trust), a lightweight, attention-based method for evaluating the trustworthiness of messages. We then develop a principled trust management system (TMS) for LLM -MAS that supports both message-level and agent-level trust assessments. Experiments across diverse multi-agent settings and tasks demonstrate that our TMS significantly improves robustness against malicious inputs.

Bowen Jin, Chulin Xie, Jiawei Zhang et al.

Large language models (LLMs), while exhibiting exceptional performance, suffer from hallucinations, especially on knowledge-intensive tasks. Existing works propose to augment LLMs with individual text units retrieved from external knowledge corpora to alleviate the issue. However, in many domains, texts are interconnected (e.g., academic papers in a bibliographic graph are linked by citations and co-authorships) which form a (text-attributed) graph. The knowledge in such graphs is encoded not only in single texts/nodes but also in their associated connections. To facilitate the research of augmenting LLMs with graphs, we manually construct a Graph Reasoning Benchmark dataset called GRBench, containing 1,740 questions that can be answered with the knowledge from 10 domain graphs. Then, we propose a simple and effective framework called Graph Chain-of-thought (Graph-CoT) to augment LLMs with graphs by encouraging LLMs to reason on the graph iteratively. Each Graph-CoT iteration consists of three sub-steps: LLM reasoning, LLM-graph interaction, and graph execution. We conduct systematic experiments with three LLM backbones on GRBench, where Graph-CoT outperforms the baselines consistently. The code is available at https://github.com/PeterGriffinJin/Graph-CoT.

Vinh Nguyen, Cuong Dang, Jiahao Zhang et al.

Retrieval-Augmented Generation (RAG) has emerged as a widely adopted approach for enhancing LLMs in scenarios that demand extensive factual knowledge. However, current RAG evaluations concentrate primarily on correctness, which may not fully capture the impact of retrieval on LLM uncertainty and reliability. To bridge this gap, we introduce URAG, a comprehensive benchmark designed to assess the uncertainty of RAG systems across various fields like healthcare, programming, science, math, and general text. By reformulating open-ended generation tasks into multiple-choice question answering, URAG allows for principled uncertainty quantification via conformal prediction. We apply the evaluation pipeline to 8 standard RAG methods, measuring their performance through both accuracy and prediction-set sizes based on LAC and APS metrics. Our analysis shows that (1) accuracy gains often coincide with reduced uncertainty, but this relationship breaks under retrieval noise; (2) simple modular RAG methods tend to offer better accuracy-uncertainty trade-offs than more complex reasoning pipelines; and (3) no single RAG approach is universally reliable across domains. We further show that (4) retrieval depth, parametric knowledge dependence, and exposure to confidence cues can amplify confident errors and hallucinations. Ultimately, URAG establishes a systematic benchmark for analyzing and enhancing the trustworthiness of retrieval-augmented systems. Our code is available on GitHub.

Zhiwei Zhang, Fali Wang, Xiaomin Li et al.

Large language models (LLMs) have shown remarkable proficiency in generating text, benefiting from extensive training on vast textual corpora. However, LLMs may also acquire unwanted behaviors from the diverse and sensitive nature of their training data, which can include copyrighted and private content. Machine unlearning has been introduced as a viable solution to remove the influence of such problematic content without the need for costly and time-consuming retraining. This process aims to erase specific knowledge from LLMs while preserving as much model utility as possible. Despite the effectiveness of current unlearning methods, little attention has been given to whether existing unlearning methods for LLMs truly achieve forgetting or merely hide the knowledge, which current unlearning benchmarks fail to detect. This paper reveals that applying quantization to models that have undergone unlearning can restore the "forgotten" information. To thoroughly evaluate this phenomenon, we conduct comprehensive experiments using various quantization techniques across multiple precision levels. We find that for unlearning methods with utility constraints, the unlearned model retains an average of 21\% of the intended forgotten knowledge in full precision, which significantly increases to 83\% after 4-bit quantization. ... Our code is available at: \href{https://github.com/zzwjames/FailureLLMUnlearning}{https://github.com/zzwjames/FailureLLMUnlearning}.

Fali Wang, Tianxiang Zhao, Junjie Xu et al.

Graph self-training (GST), which selects and assigns pseudo-labels to unlabeled nodes, is popular for tackling label sparsity in graphs. However, recent study on homophily graphs show that GST methods could introduce and amplify distribution shift between training and test nodes as they tend to assign pseudo-labels to nodes they are good at. As GNNs typically perform better on homophilic nodes, there could be potential shifts towards homophilic pseudo-nodes, which is underexplored. Our preliminary experiments on heterophilic graphs verify that these methods can cause shifts in homophily ratio distributions, leading to \textit{training bias} that improves performance on homophilic nodes while degrading it on heterophilic ones. Therefore, we study a novel problem of reducing homophily ratio distribution shifts during self-training on heterophilic graphs. A key challenge is the accurate calculation of homophily ratios and their distributions without extensive labeled data. To tackle them, we propose a novel Heterophily-aware Distribution Consistency-based Graph Self-Training (HC-GST) framework, which estimates homophily ratios using soft labels and optimizes a selection vector to align pseudo-nodes with the global homophily ratio distribution. Extensive experiments on both homophilic and heterophilic graphs show that HC-GST effectively reduces training bias and enhances self-training performance.

Quan Li, Tianxiang Zhao, Lingwei Chen et al.

Graphs are pervasive in the real-world, such as social network analysis, bioinformatics, and knowledge graphs. Graph neural networks (GNNs) have great ability in node classification, a fundamental task on graphs. Unfortunately, conventional GNNs still face challenges in scenarios with few labeled nodes, despite the prevalence of few-shot node classification tasks in real-world applications. To address this challenge, various approaches have been proposed, including graph meta-learning, transfer learning, and methods based on Large Language Models (LLMs). However, traditional meta-learning and transfer learning methods often require prior knowledge from base classes or fail to exploit the potential advantages of unlabeled nodes. Meanwhile, LLM-based methods may overlook the zero-shot capabilities of LLMs and rely heavily on the quality of generated contexts. In this paper, we propose a novel approach that integrates LLMs and GNNs, leveraging the zero-shot inference and reasoning capabilities of LLMs and employing a Graph-LLM-based active learning paradigm to enhance GNNs' performance. Extensive experiments demonstrate the effectiveness of our model in improving node classification accuracy with considerably limited labeled data, surpassing state-of-the-art baselines by significant margins.

Zongyu Wu, Hongcheng Gao, Yueze Wang et al. · tsinghua

Text-to-Image (T2I) models have shown great performance in generating images based on textual prompts. However, these models are vulnerable to unsafe input to generate unsafe content like sexual, harassment and illegal-activity images. Existing studies based on image checker, model fine-tuning and embedding blocking are impractical in real-world applications. Hence, we propose the first universal prompt optimizer for safe T2I (POSI) generation in black-box scenario. We first construct a dataset consisting of toxic-clean prompt pairs by GPT-3.5 Turbo. To guide the optimizer to have the ability of converting toxic prompt to clean prompt while preserving semantic information, we design a novel reward function measuring toxicity and text alignment of generated images and train the optimizer through Proximal Policy Optimization. Experiments show that our approach can effectively reduce the likelihood of various T2I models in generating inappropriate images, with no significant impact on text alignment. It is also flexible to be combined with methods to achieve better performance. Our code is available at https://github.com/wu-zongyu/POSI.

Minhua Lin, Hanqing Lu, Zhan Shi et al.

As Large Language Models (LLMs) move from curated training sets into open-ended real-world environments, a fundamental limitation emerges: static training cannot keep pace with continual deployment environment change. Scaling training-time and inference-time compute improves static capability but does not close this train-deploy gap. We argue that addressing this limitation requires a new scaling axis-evolution. Existing deployment-time adaptation methods, whether parametric fine-tuning or heuristic memory accumulation, lack the strategic agency needed to diagnose failures and produce durable improvements. Our position is that agentic evolution represents the inevitable future of LLM adaptation, elevating evolution itself from a fixed pipeline to an autonomous evolver agent. We instantiate this vision in a general framework, A-Evolve, which treats deployment-time improvement as a deliberate, goal-directed optimization process over persistent system state. We further propose the evolution-scaling hypothesis: the capacity for adaptation scales with the compute allocated to evolution, positioning agentic evolution as a scalable path toward sustained, open-ended adaptation in the real world.

Ali Al-Lawati, Jason Lucas, Dongwon Lee et al.

Benchmark datasets are critical for reproducible, reliable, and discriminative evaluation of LLMs. However, recent studies reveal that many benchmark datasets are included in pretraining corpora, i.e., $\textit{contaminated}$, which diminishes their value as reliable measures of model generalization. In this paper, we argue that benchmark datasets should be $\textit{contamination-resistant}$, i.e., $\textit{unlearnable}$, but support $\textit{inference}$. To accomplish this, we first highlight the wide prevalence of benchmark dataset contamination and outline the properties of contamination-resistant datasets. Second, we highlight how the asymmetry between the inference and training pipelines in the Transformer architecture can be leveraged to support contamination-resistance. Third, we outline mathematical advancements to make these datasets interoperable across various LLM architectures. Based on the above, we call on the community to ensure the reliability of LLM benchmarking by: (i) advancing novel contamination-resistant methodologies, (ii) developing supporting methods and platforms, and (iii) adopting contamination-resistant benchmarks into existing evaluation pipelines.

Liangru Xie, Hui Liu, Jingying Zeng et al.

Large Language Models (LLMs) demonstrate remarkable performance in semantic understanding and generation, yet accurately assessing their output reliability remains a significant challenge. While numerous studies have explored calibration techniques, they primarily focus on White-Box LLMs with accessible parameters. Black-Box LLMs, despite their superior performance, pose heightened requirements for calibration techniques due to their API-only interaction constraints. Although recent researches have achieved breakthroughs in black-box LLMs calibration, a systematic survey of these methodologies is still lacking. To bridge this gap, we presents the first comprehensive survey on calibration techniques for black-box LLMs. We first define the Calibration Process of LLMs as comprising two interrelated key steps: Confidence Estimation and Calibration. Second, we conduct a systematic review of applicable methods within black-box settings, and provide insights on the unique challenges and connections in implementing these key steps. Furthermore, we explore typical applications of Calibration Process in black-box LLMs and outline promising future research directions, providing new perspectives for enhancing reliability and human-machine alignment. This is our GitHub link: https://github.com/LiangruXie/Calibration-Process-in-Black-Box-LLMs

Fali Wang, Jihai Chen, Shuhua Yang et al.

Test-Time Scaling (TTS) improves large language models (LLMs) by allocating additional computation during inference, typically through parallel, sequential, or hybrid scaling. However, prior studies often assume fixed collaboration architectures (e.g., topologies) and single-model usage, overlooking that optimal architectures and model combinations can vary across tasks. Therefore, we study the novel problem of searching for compute-optimal model combinations and architectures in TTS under a fixed budget. We formalize it as a multi-LLM collaboration graph, where nodes encode roles and LLM model assignments, and edges capture information flow. This problem is challenging because (i) the combinatorial search space is prohibitively large, and (ii) task-specific requirements demand tailored designs. To address these, we reformulate the problem as probabilistic graph optimization and, through pilot experiments, derive three empirical insights into TTS collaboration graphs. Guided by these insights, we propose Agent-REINFORCE, an LLM-agent-augmented framework that mirrors the REINFORCE pipeline by mapping sampling-gradient-update to sampling-feedback-update, where feedback serves as a textual gradient to update the probabilistic graph and efficiently search for optimal multi-LLM collaboration graphs. Experiments show that Agent-REINFORCE outperforms both traditional and LLM-based baselines in sample efficiency and search performance, and effectively identifies optimal graphs under joint objectives of accuracy and inference latency.

Xiaowei Qian, Zhimeng Guo, Jialiang Li et al.

Fair graph learning plays a pivotal role in numerous practical applications. Recently, many fair graph learning methods have been proposed; however, their evaluation often relies on poorly constructed semi-synthetic datasets or substandard real-world datasets. In such cases, even a basic Multilayer Perceptron (MLP) can outperform Graph Neural Networks (GNNs) in both utility and fairness. In this work, we illustrate that many datasets fail to provide meaningful information in the edges, which may challenge the necessity of using graph structures in these problems. To address these issues, we develop and introduce a collection of synthetic, semi-synthetic, and real-world datasets that fulfill a broad spectrum of requirements. These datasets are thoughtfully designed to include relevant graph structures and bias information crucial for the fair evaluation of models. The proposed synthetic and semi-synthetic datasets offer the flexibility to create data with controllable bias parameters, thereby enabling the generation of desired datasets with user-defined bias values with ease. Moreover, we conduct systematic evaluations of these proposed datasets and establish a unified evaluation approach for fair graph learning models. Our extensive experimental results with fair graph learning methods across our datasets demonstrate their effectiveness in benchmarking the performance of these methods. Our datasets and the code for reproducing our experiments are available at https://github.com/XweiQ/Benchmark-GraphFairness.

Fali Wang, Jihai Chen, Shuhua Yang et al.

Large language models (LLMs) have achieved remarkable progress across domains and applications but face challenges such as high fine-tuning costs, inference latency, limited edge deployability, and reliability concerns. Small language models (SLMs), with compact, efficient, and adaptable features, offer promising solutions. Building on this potential, recent research explores collaborative frameworks that integrate their complementary strengths, leveraging SLMs' specialization and efficiency with LLMs' generalization and reasoning to address diverse objectives across tasks and deployment scenarios. Motivated by these developments, this paper presents a systematic survey of SLM-LLM collaboration from the perspective of collaboration objectives. We propose a taxonomy covering four goals: performance enhancement, cost-effectiveness, cloud-edge privacy, and trustworthiness. Under this framework, we review representative methods, summarize design paradigms, and outline open challenges and future directions toward efficient and secure SLM-LLM collaboration. The collected papers are available at https://github.com/FairyFali/SLMs-Survey.

Zhiwei Zhang, Xiaomin Li, Yudi Lin et al.

Large Language Models (LLMs) trained with reinforcement learning and verifiable rewards have achieved strong results on complex reasoning tasks. Recent work extends this paradigm to a multi-agent setting, where a meta-thinking agent proposes plans and monitors progress while a reasoning agent executes subtasks through sequential conversational turns. Despite promising performance, we identify a critical limitation: lazy agent behavior, in which one agent dominates while the other contributes little, undermining collaboration and collapsing the setup to an ineffective single agent. In this paper, we first provide a theoretical analysis showing why lazy behavior naturally arises in multi-agent reasoning. We then introduce a stable and efficient method for measuring causal influence, helping mitigate this issue. Finally, as collaboration intensifies, the reasoning agent risks getting lost in multi-turn interactions and trapped by previous noisy responses. To counter this, we propose a verifiable reward mechanism that encourages deliberation by allowing the reasoning agent to discard noisy outputs, consolidate instructions, and restart its reasoning process when necessary. Extensive experiments demonstrate that our framework alleviates lazy agent behavior and unlocks the full potential of multi-agent framework for complex reasoning tasks.

Ali Al-Lawati, Nafis Tripto, Abolfazl Ansari et al.

The emergence of multi-agent systems introduces novel moderation challenges that extend beyond content filtering. Agents with {\em malicious intent} may contribute harmful content that appears benign to evade content-based moderation, while compromising the system through exploitative and malicious behavior manifested across their overall interaction patterns within the community. To address this, we introduce \textsc{\textbf{Bot-Mod}} (\textsc{\textbf{Bot-Mod}}eration), a moderation framework that grounds detection in agent intent rather than traditional content level signals. \method{} identifies the underlying intent by engaging with the target agent in a multi-turn exchange guided by Gibbs-based sampling over candidate intent hypotheses. This progressively narrows the space of plausible agent objectives to identify the underlying behavior. To evaluate our approach, we construct a dataset derived from Moltbook that encompasses diverse benign and malicious behaviors based on actual community structures, posts, and comments. Results demonstrate that \textsc{\textbf{Bot-Mod}} reliably identifies agent intent across a range of adversarial configurations, while maintaining a low false positive rate on benign behaviors. This work advances the foundation for scalable, intent-aware moderation of agents in open multi-agent environments.

Minhua Lin, Zongyu Wu, Zhichao Xu et al.

The advent of large language models (LLMs) has transformed information access and reasoning through open-ended natural language interaction. However, LLMs remain limited by static knowledge, factual hallucinations, and the inability to retrieve real-time or domain-specific information. Retrieval-Augmented Generation (RAG) mitigates these issues by grounding model outputs in external evidence, but traditional RAG pipelines are often single turn and heuristic, lacking adaptive control over retrieval and reasoning. Recent advances in agentic search address these limitations by enabling LLMs to plan, retrieve, and reflect through multi-step interaction with search environments. Within this paradigm, reinforcement learning (RL) offers a powerful mechanism for adaptive and self-improving search behavior. This survey provides the first comprehensive overview of \emph{RL-based agentic search}, organizing the emerging field along three complementary dimensions: (i) What RL is for (functional roles), (ii) How RL is used (optimization strategies), and (iii) Where RL is applied (scope of optimization). We summarize representative methods, evaluation protocols, and applications, and discuss open challenges and future directions toward building reliable and scalable RL driven agentic search systems. We hope this survey will inspire future research on the integration of RL and agentic search. Our repository is available at https://github.com/ventr1c/Awesome-RL-based-Agentic-Search-Papers.

Haitong Luo, Suhang Wang, Weiyao Zhang et al.

Graph ``pre-training and prompt-tuning'' aligns downstream tasks with pre-trained objectives to enable efficient knowledge transfer under limited supervision. However, existing methods rely on homophily-based low-frequency knowledge, failing to handle diverse spectral distributions in real-world graphs with varying homophily. Our theoretical analysis reveals a spectral specificity principle: optimal knowledge transfer requires alignment between pre-trained spectral filters and the intrinsic spectrum of downstream graphs. Under limited supervision, large spectral gaps between pre-training and downstream tasks impede effective adaptation. To bridge this gap, we propose the HS-GPPT model, a novel framework that ensures spectral alignment throughout both pre-training and prompt-tuning. We utilize a hybrid spectral filter backbone and local-global contrastive learning to acquire abundant spectral knowledge. Then we design prompt graphs to align the spectral distribution with pretexts, facilitating spectral knowledge transfer across homophily and heterophily. Extensive experiments validate the effectiveness under both transductive and inductive learning settings. Our code is available at https://anonymous.4open.science/r/HS-GPPT-62D2/.

Zhilong Wang, Li Yu, Suhang Wang et al.

A software vulnerability could be exploited without any visible symptoms. When no source code is available, although such silent program executions could cause very serious damage, the general problem of analyzing silent yet harmful executions is still an open problem. In this work, we propose a graph neural network (GNN) assisted data flow analysis method for spotting silent buffer overflows in execution traces. The new method combines a novel graph structure (denoted DFG+) beyond data-flow graphs, a tool to extract {\tt DFG+} from execution traces, and a modified Relational Graph Convolutional Network as the GNN model to be trained. The evaluation results show that a well-trained model can be used to analyze vulnerabilities in execution traces (of previously-unseen programs) without support of any source code. Our model achieves 94.39\% accuracy on the test data and successfully locates 29 out of 30 real-world silent buffer overflow vulnerabilities. Leveraging deep learning, the proposed method is, to our best knowledge, the first general-purpose analysis method for silent buffer overflows. It is also the first method to spot silent buffer overflows in global variables, stack variables, or heap variables without crossing the boundary of allocated chunks.

Wei Jin, Tyler Derr, Haochen Liu et al.

The success of deep learning notoriously requires larger amounts of costly annotated data. This has led to the development of self-supervised learning (SSL) that aims to alleviate this limitation by creating domain specific pretext tasks on unlabeled data. Simultaneously, there are increasing interests in generalizing deep learning to the graph domain in the form of graph neural networks (GNNs). GNNs can naturally utilize unlabeled nodes through the simple neighborhood aggregation that is unable to thoroughly make use of unlabeled nodes. Thus, we seek to harness SSL for GNNs to fully exploit the unlabeled data. Different from data instances in the image and text domains, nodes in graphs present unique structure information and they are inherently linked indicating not independent and identically distributed (or i.i.d.). Such complexity is a double-edged sword for SSL on graphs. On the one hand, it determines that it is challenging to adopt solutions from the image and text domains to graphs and dedicated efforts are desired. On the other hand, it provides rich information that enables us to build SSL from a variety of perspectives. Thus, in this paper, we first deepen our understandings on when, why, and which strategies of SSL work with GNNs by empirically studying numerous basic SSL pretext tasks on graphs. Inspired by deep insights from the empirical studies, we propose a new direction SelfTask to build advanced pretext tasks that are able to achieve state-of-the-art performance on various real-world datasets. The specific experimental settings to reproduce our results can be found in \url{https://github.com/ChandlerBang/SelfTask-GNN}.

Wei Jin, Yao Ma, Xiaorui Liu et al.

Graph Neural Networks (GNNs) are powerful tools in representation learning for graphs. However, recent studies show that GNNs are vulnerable to carefully-crafted perturbations, called adversarial attacks. Adversarial attacks can easily fool GNNs in making predictions for downstream tasks. The vulnerability to adversarial attacks has raised increasing concerns for applying GNNs in safety-critical applications. Therefore, developing robust algorithms to defend adversarial attacks is of great significance. A natural idea to defend adversarial attacks is to clean the perturbed graph. It is evident that real-world graphs share some intrinsic properties. For example, many real-world graphs are low-rank and sparse, and the features of two adjacent nodes tend to be similar. In fact, we find that adversarial attacks are likely to violate these graph properties. Therefore, in this paper, we explore these properties to defend adversarial attacks on graphs. In particular, we propose a general framework Pro-GNN, which can jointly learn a structural graph and a robust graph neural network model from the perturbed graph guided by these properties. Extensive experiments on real-world graphs demonstrate that the proposed framework achieves significantly better performance compared with the state-of-the-art defense methods, even when the graph is heavily perturbed. We release the implementation of Pro-GNN to our DeepRobust repository for adversarial attacks and defenses (footnote: https://github.com/DSE-MSU/DeepRobust). The specific experimental settings to reproduce our results can be found in https://github.com/ChandlerBang/Pro-GNN.