Fairness-aware machine learning aims to build predictive models that comply with fairness requirements, particularly concerning sensitive attributes such as race, gender, and age. Among causality-based fairness notions, counterfactual fairness is widely adopted for its individual-level guarantees, requiring that an individual’s predicted outcome remains unchanged in a counterfactual world where its sensitive attribute is altered. However, existing methods critically assume that the true causal graph is fully known, which is rarely the case in practice. Moreover, counterfactual fairness suffers from inherent identifiability limitations, as counterfactual quantities cannot always be uniquely estimated from observational data, especially under incomplete causal knowledge. To address these challenges, we propose a principled framework (CF-ICG) for counterfactual fairness under imperfectly known causal graphs, e.g., Completed Partially Directed Acyclic Graphs (CPDAGs). We first introduce a criterion to determine the identifiability, and bound the counterfactual quantities under CPDAGs. Building upon this, we develop an efficient local algorithm that avoids the exhaustive enumeration of all DAGs, ensuring robustness against worst-case fairness violations. Experimental results on synthetic and real-world datasets demonstrate the practical effectiveness and theoretical soundness of CF-ICG.

Multiple clustering aims to uncover diverse latent structures within the data, enabling a more comprehensive understanding of complex datasets. However, existing approaches either heavily rely on user-supplied keywords or disregard user-interested clustering types, limiting the ability to discover the full range of explainable clusterings of interests, particularly in high-dimensional settings. Furthermore, existing methods insufficiently leverage the rich textual semantics and fall short in fully integrating multi-modal information. To address these challenges, we propose MLLM enriched Multiple Clustering (MLLMMC), a novel framework that leverages multi-modal large language model (MLLM) to explore explainable non-redundant clustering. Specifically, MLLMMC first employs MLLM to generate sample descriptions, which serve as input for LLM to perform prompt-driven reasoning and infer latent clustering types, and then merges them with user-interested types to obtain diverse and explainable clustering types. For each selected type, MLLMMC utilizes MLLM to generate sample-level textual descriptions and aligns them with corresponding visual features through a cross-attention fusion module, which produces a semantically aligned and enriched representation for the target clustering type. Extensive experiments on six benchmark datasets from diverse domains demonstrate that MLLMMC achieves diverse, explainable, and high-quality clustering outcomes, outperforming state-of-the-art multiple clustering methods with a large margin.

Large Language Models (LLMs) increasingly rely on agentic capabilities-iterative retrieval, tool use, and decision-making-to overcome the limits of static, parametric knowledge.Yet existing agentic frameworks treat external information as unstructured text and fail to leverage the topological dependencies inherent in real-world data.To bridge this gap, we introduce Agentic Graph Learning (AGL), a paradigm that reframes graph learning as an interleaved process of topology-aware navigation and LLM-based inference.Specifically, we propose AgentGL, the first reinforcement learning (RL)-driven framework for AGL.AgentGL equips an LLM agent with graphnative tools for multi-scale exploration, regulates tool usage via search-constrained thinking to balance accuracy and efficiency, and employs a graph-conditioned curriculum RL strategy to stabilize long-horizon policy learning without step-wise supervision.Across diverse Text-Attributed Graph (TAG) benchmarks and multiple LLM backbones, AgentGL substantially outperforms strong GraphLLMs and GraphRAG baselines, achieving absolute improvements of up to 17.5% in node classification and 28.4% in link prediction.These results demonstrate that AGL is a promising frontier for enabling LLMs to autonomously navigate and reason over complex relational environments.The code is publicly available at https://github.com/sunyuanfu/AgentGL.

Graph data mining techniques in real-world scenarios often encounter significant computational challenges, especially when the graph contains a large number of nodes and edges. Recently, Graph Condensation (GC) has emerged to offer data-centric solutions that address the challenge of graph volume, enhancing the efficiency of graph data mining and storage. Current methods in GC rely solely on optimizing heuristic metrics of one-way maintenance of key information in the condensed graph. However, the maintenance of key information may be insufficient due to the significant condensation ratio, yet these methods lack an effective mechanism to verify and compensate for that. To this end, this paper aims to enhance the maintenance of key information through a reconstruction based alignment mechanism. More specifically, inspired by the Kolmogorov Complexity, we revisit the theoretical foundations of GC and propose a way-back mechanism that introduces a feedback loop of learning to reconstruct the original graph from the condensed graph, with the objective of key information align ment, namely the WbGC. We modify several GC methods with our mechanism, and the experiments show that our approach provides an enhanced solution for GC. Code is available at https://anonymous.4open.science/r/WbGC-1842.

With growing concerns over user privacy, federated recommendation (FedRec) has emerged as a mainstream solution for personalized recommendation services. FedRec trains user-private parameters on local clients while collaboratively updating global parameters on a centralized server. However, despite advances in optimizing these local and global parameters, existing methods overlook two key challenges: tradeoff training and distribution discrepancy . Tradeoff training balances timely local updates with diverse global parameters, limiting the model’s learning ability. Distribution discrepancy arises from the divergence between locally trained global parameters and those aggregated by the server, corrupting inference performance. To fill in the gap, we propose FedSC , a principled federated recommendation framework that boosts FedRec’s training and inference processes with minimal yet nontrivial efforts. During training, FedSC employs a stochastic aggregation strategy where all users participate in every round, while only a random subset is selected for aggregation, preserving the diversity of global parameters and ensuring timely local updates. During inference, FedSC makes recommendations with a consistency inference mechanism that uses the most recent locally trained global parameters of each user to improve the model’s understanding of user preferences. Extensive experiments on multiple benchmark datasets demonstrate the superiority of FedSC, achieving up to a 20% improvement in most evaluation scenarios.

The rapid development of Multimodal Large Language Models (MLLMs) has enabled the integration of multiple modalities, including texts and images, within the large language model (LLM) framework. However, texts and images are usually interconnected, forming a multimodal attributed graph (MMAG). It is underexplored how MLLMs can incorporate the relational information (i.e., graph structure) and semantic information (i.e., texts and images) on such graphs for multimodal comprehension and generation. In this paper, we propose GraphGPT-o, which supports omni-multimodal understanding and creation on MMAGs. We first comprehensively study linearization variants to transform semantic and structural information as input for MLLMs. Then, we propose a hierarchical aligner that enables deep graph encoding, bridging the gap between MMAGs and MLLMs. Finally, we explore the inference choices, adapting MLLM to interleaved text and image generation in graph scenarios. Extensive experiments on three datasets from different domains demonstrate the effectiveness of our proposed method. Datasets and codes will be publicly available at https://github.com/YiFang99/GraphGPT-o.

Designing crystal materials with desired physicochemical properties remains a fundamental challenge in materials science. While large language models (LLMs) have demonstrated strong in-context learning (ICL) capabilities, existing LLM-based crystal generation approaches are limited to zero-shot scenarios and are unable to benefit from few-shot scenarios. In contrast, human experts typically design new materials by modifying relevant known structures which aligns closely with the few-shot ICL paradigm. Motivated by this, we propose CrystalICL, a novel model designed for few-shot crystal generation. Specifically, we introduce a space-group based crystal tokenization method, which effectively reduces the complexity of modeling crystal symmetry in LLMs. We further introduce a condition-structure aware hybrid instruction tuning framework and a multi-task instruction tuning strategy, enabling the model to better exploit ICL by capturing structure-property relationships from limited data. Extensive experiments on four crystal generation benchmarks demonstrate the superiority of CrystalICL over the leading baseline methods on conditional and unconditional generation tasks.

Unsupervised Anomaly Detection (UAD) plays a crucial role in identifying abnormal patterns within data without labeled examples, holding significant practical implications across various domains. Although the individual contributions of representation learning and clustering to anomaly detection are well-established, their interdependencies remain under-explored due to the absence of a unified theoretical framework. Consequently, their collective potential to enhance anomaly detection performance remains largely untapped. To bridge this gap, in this paper, we propose a novel probabilistic mixture model for anomaly detection to establish a theoretical connection among representation learning, clustering, and anomaly detection. By maximizing a novel anomaly-aware data likelihood, representation learning and clustering can effectively reduce the adverse impact of anomalous data and collaboratively benefit anomaly detection. Meanwhile, a theoretically substantiated anomaly score is naturally derived from this framework. Lastly, drawing inspiration from gravitational analysis in physics, we have devised an improved anomaly score that more effectively harnesses the combined power of representation learning and clustering. Extensive experiments, involving 17 baseline methods across 30 diverse datasets, validate the effectiveness and generalization capability of the proposed method, surpassing state-of-the-art methods.

Vector-Quantized Generative Models (VQGMs) have emerged as powerful tools for image generation. However, the key component of VQGMs—the codebook of discrete tokens—is still not well understood, e.g., which tokens are critical to generate an image of a certain concept? This paper introduces Concept-Oriented Token Explanation (CORTEX), a novel approach for interpreting VQGMs by identifying concept-specific token combinations. Our framework employs two methods: (1) a sample-level explanation method that analyzes token importance scores in individual images, and (2) a codebook-level explanation method that explores the entire codebook to find globally relevant tokens. Experimental results demonstrate CORTEX’s efficacy in providing clear explanations of token usage in the generative process, outperforming baselines across multiple pretrained VQGMs. Besides enhancing VQGMs transparency, CORTEX is useful in applications such as targeted image editing and shortcut feature detection. Our code is available at https://github.com/YangTianze009/CORTEX.

Contrastive learning (CL) has achieved remarkable success in addressing data sparsity issues in collaborative filtering (CF) for recommender systems (RSs). The key principle is to generate different augmented views given a user-item interaction graph. However, prior endeavors mainly focus on performing augmentation via stochastic functions, e.g., by injecting perturbations into different hidden dimensions uniformly. Without fine control, the hidden representations of augmentations may contain noisy dimensions that are harmful to CL and irrelevant to RSs. Removing dimension-specific noise is a challenging task due to the following two major bottlenecks. It is difficult to (i) distinguish different dimensions' efficacy for CL and (ii) bridge the semantic gap between CL and RSs. Overlooking these limitations may cause redundant, false-positive, and irrelevant noise in hidden dimensions of the augmented views.

Inspired by the success of large language models (LLMs), there is a significant research shift from traditional graph learning methods to LLM-based graph frameworks, formally known as GraphLLMs. GraphLLMs leverage the reasoning power of LLMs by integrating three key components: the textual attributes of input nodes, the structural information of node neighborhoods, and task-specific prompts that guide decision-making. Despite their promise, the robustness of GraphLLMs against adversarial perturbations remains largely unexplored-a critical concern for deploying these models in high-stakes scenarios. To bridge the gap, we introduce TrustGLM, a comprehensive study evaluating the vulnerability of GraphLLMs to adversarial attacks across three dimensions: text, graph structure, and prompt manipulations. We implement state-of-the-art attack algorithms from each perspective to rigorously assess model resilience. Through extensive experiments on six benchmark datasets from diverse domains, our findings reveal that GraphLLMs are highly susceptible to text attacks that merely replace a few semantically similar words in a node's textual attribute. We also find that standard graph structure attack methods can significantly degrade model performance, while random shuffling of the candidate label set in prompt templates leads to substantial performance drops. Beyond characterizing these vulnerabilities, we investigate defense techniques tailored to each attack vector through data-augmented training and adversarial training, which show promising potential to enhance the robustness of GraphLLMs. We hope that our open-sourced library will facilitate rapid, equitable evaluation and inspire further innovative research in this field. The benchmark code can be found in https://github.com/Palasonic5/TrustGLM.git.

Graph Neural Networks (GNNs) have achieved great success but are often considered to be challenged by varying levels of homophily in graphs. Recent empirical studies have surprisingly shown that homophilic GNNs can perform well across datasets of different homophily levels with proper hyperparameter tuning, but the underlying theory and effective architectures remain unclear. To advance GNN universality across varying homophily, we theoretically revisit GNN message passing and uncover a novel \textit{smoothness-generalization dilemma}, where increasing hops inevitably enhances smoothness at the cost of generalization. This dilemma hinders learning in high-order homophilic neighborhoods and all heterophilic ones, where generalization is critical due to complex neighborhood class distributions that are sensitive to shifts induced by noise or sparsity. To address this, we introduce the Inceptive Graph Neural Network (IGNN) built on three simple yet effective design principles, which alleviate the dilemma by enabling distinct hop-wise generalization alongside improved overall generalization with adaptive smoothness. Benchmarking against 30 baselines demonstrates IGNN's superiority and reveals notable universality in certain homophilic GNN variants. Our code and datasets are available at \href{https://github.com/galogm/IGNN}{https://github.com/galogm/IGNN}.

Deep graph clustering (DGC) aims to partition graph nodes into distinct clusters in an unsupervised manner. Despite rapid advancements in this field, DGC remains inherently challenging due to the absence of ground-truth, which complicates the design of effective algorithms and impedes the establishment of standardized benchmarks. The lack of unified datasets, evaluation protocols, and metrics further exacerbates these challenges, making it difficult to systematically assess and compare DGC methods. To address these limitations, we introduce $\texttt{DGCBench}$, the first comprehensive and unified benchmark for DGC methods. It evaluates 12 state-of-the-art DGC methods across 12 datasets from diverse domains and scales, spanning 6 critical dimensions: $\textbf{discriminability}$, $\textbf{effectiveness}$, $\textbf{scalability}$, $\textbf{efficiency}$, $\textbf{stability}$, and $\textbf{robustness}$. Additionally, we develop $\texttt{PyDGC}$, an open-source Python library that standardizes the DGC training and evaluation paradigm. Through systematic experiments, we reveal persistent limitations in existing methods, specifically regarding the homophily bottleneck, training instability, vulnerability to perturbations, efficiency plateau, scalability challenges, and poor discriminability, thereby offering actionable insights for future research. We hope that $\texttt{DGCBench}$, $\texttt{PyDGC}$, and our analyses will collectively accelerate the progress in the DGC community. The code is available at https://github.com/Marigoldwu/PyDGC.

Representation learning on text-attributed graphs (TAGs), where nodes are associated with textual descriptions, is crucial for textual and relational knowledge systems, such as social media and recommendation scenarios. However, state-of-the-art embedding methods for TAGs primarily focus on fine-tuning pre-trained language models (PLMs) using structure-aware training objectives. While effective, these methods are tailored for individual TAG and cannot generalize across various graph scenarios. Given the shared textual space, leveraging multiple TAGs for joint fine-tuning, aligning text and graph structure from different aspects, would be more beneficial. Therefore, we propose the Unified Graph Language Model (UniGLM), a novel foundation model pretrained over multiple TAGs from a variety of domains, which can generalize well to both in-domain and cross-domain graph scenarios. Specifically, UniGLM fine-tunes well-established PLMs (e.g., Sentence-BERT) using a domain-aware contrastive learning objective that unifies structure heterogeneity and node statistics across various domains with an adaptive and learnable positive sample selection scheme. Additionally, a lazy updating module is introduced to speed up training by reducing repetitive encoding of positive samples. Extensive datasets across multiple domains, downstream tasks (node classification and link prediction), and a spectrum of graph backbones (supervised and self-supervised graph models) are conducted to compare UniGLM with state-of-the-art baselines. Our empirical observations suggest that UniGLM can generate informative representations for cross-domain graphs observed in the training. More importantly, UniGLM also exhibits competitive transfer ability in encoding unseen TAGs that are not used for training. This study provides deep insights into how to adapt PLMs to graph data and demonstrates the potential of building foundation model for graph representation learning.

Optimizer-based meta-learning, specifically model-agnostic meta-learning (MAML), has emerged as a powerful tool for tackling the cold-start recommendation problem. In these meta-learning-based methods, recommendations for individual users are typically treated as separate tasks and learned independently. However, this task-by-task learning paradigm presents several observable limitations. First, learning one task at a time ignores inter-task correlations, i.e., collaborative signals, which limits the meta-model's receptive field and prevents it from leveraging valuable shared information, ultimately leading to subpar performance. Second, the meta-model is susceptible to the task distribution, i.e., the varied preference distributions among different users, which in turn introduces biases and inconsistencies, resulting in a less robust model that may perform well on certain user groups while underperforming on others. In this paper, we explore the correlations among different tasks in cold-start recommendations and develop a novel strategy termed cross-task collaborative meta-learning (CCML). More specifically, we propose a collaborative task sampling module designed to mitigate the adverse impact of irrelevant tasks during meta-model learning. This module adaptively identifies tasks that are both similar and beneficial to the primary task, ensuring that the meta-model learns from relevant and supportive information. Additionally, to harness collaborative information across relevant tasks, we introduce a bi-level cross-task meta-training strategy. This strategy leverages multi-task learning to capture collaborative knowledge simultaneously and enhance user profiling with pertinent information. Extensive experiments on four public benchmark datasets demonstrate the advantages of CCML over many state-of-the-art cold-start recommendation methods. Our results show significant improvements in recommendation accuracy and robustness, highlighting the potential of cross-task collaboration in enhancing meta-learning-based recommender systems. The code is available athttps://anonymous.4open.science/r/CCML-F064.

Large Language Models (LLMs) have shown proficiency in question-answering tasks but often struggle to integrate real-time knowledge, leading to potentially outdated or inaccurate responses. This problem becomes even more challenging when dealing with multi-hop questions, since they require LLMs to update and integrate multiple knowledge pieces relevant to the questions. To tackle the problem, we propose the Retrieval-Augmented model Editing (RAE) framework for multi-hop question answering. RAE first retrieves edited facts and then refines the language model through in-context learning. Specifically, our retrieval approach, based on mutual information maximization, leverages the reasoning abilities of LLMs to identify chain facts that traditional similarity-based searches might miss. In addition, our framework includes a pruning strategy to eliminate redundant information from the retrieved facts, which enhances the editing accuracy and mitigates the hallucination problem. Our framework is supported by theoretical justification for its fact retrieval efficacy. Finally, comprehensive evaluation across various LLMs validates RAE's ability in providing accurate answers with updated knowledge. Our code is available at: https://github.com/sycny/RAE.

This work studies self-supervised graph learning for text-attributed graphs (TAGs) where nodes are represented by textual attributes. Unlike traditional graph contrastive methods that perturb the numerical feature space and alter the graph's topological structure, we aim to improve view generation through language supervision. This is driven by the prevalence of textual attributes in real applications, which complement graph structures with rich semantic information. However, this presents challenges because of two major reasons. First, text attributes often vary in length and quality, making it difficulty to perturb raw text descriptions without altering their original semantic meanings. Second, although text attributes complement graph structures, they are not inherently well-aligned. To bridge the gap, we introduce GAugLLM, a novel framework for augmenting TAGs. It leverages advanced large language models like Mistral to enhance self-supervised graph learning. Specifically, we introduce a mixture-of-prompt-expert technique to generate augmented node features. This approach adaptively maps multiple prompt experts, each of which modifies raw text attributes using prompt engineering, into numerical feature space. Additionally, we devise a collaborative edge modifier to leverage structural and textual commonalities, enhancing edge augmentation by examining or building connections between nodes. Empirical results across five benchmark datasets spanning various domains underscore our framework's ability to enhance the performance of leading contrastive methods (e.g., BGRL, GraphCL, and GBT) as a plug-in tool. Notably, we observe that the augmented features and graph structure can also enhance the performance of standard generative methods (e.g., GraphMAE and S2GAE), as well as popular graph neural networks (e.g., GCN and GAT). The open-sourced implementation of our GAugLLM is available at https://github.com/NYUSHCS/GAugLLM.

Deep neural networks are ubiquitously adopted in many applications, such as computer vision, natural language processing, and graph analytics. However, well-trained neural networks can make prediction errors after deployment as the world changes. \textit{Model editing} involves updating the base model to correct prediction errors with less accessible training data and computational resources. Despite recent advances in model editors in computer vision and natural language processing, editable training in graph neural networks (GNNs) is rarely explored. The challenge with editable GNN training lies in the inherent information aggregation across neighbors, which can lead model editors to affect the predictions of other nodes unintentionally. In this paper, we first observe the gradient of cross-entropy loss for the target node and training nodes with significant inconsistency, which indicates that directly fine-tuning the base model using the loss on the target node deteriorates the performance on training nodes. Motivated by the gradient inconsistency observation, we propose a simple yet effective \underline{G}radient \underline{R}ewiring method for \underline{E}ditable graph neural network training, named \textbf{GRE}. Specifically, we first store the anchor gradient of the loss on training nodes to preserve the locality. Subsequently, we rewire the gradient of the loss on the target node to preserve performance on the training node using anchor gradient. Experiments demonstrate the effectiveness of GRE on various model architectures and graph datasets in terms of multiple editing situations. The source code is available at \url{https://github.com/zhimengj0326/Gradient_rewiring_editing}.

Recommending products to users with intuitive explanations helps improve the system in transparency, persuasiveness, and satisfaction. Existing interpretation techniques include post hoc methods and interpretable modeling. The former category could quantitatively analyze input contribution to model prediction but has limited interpretation faithfulness, while the latter could explain model internal mechanisms but may not directly attribute model predictions to input features. In this study, we propose a novel Dual Interpretable Recommendation model called DIRECT, which integrates ideas of the two interpretation categories to inherit their advantages and avoid limitations. Specifically, DIRECT makes use of item descriptions as explainable evidence for recommendation. First, similar to the post hoc interpretation, DIRECT could attribute the prediction of a user preference score to textual words of the item descriptions. The attribution of each word is related to its sentiment polarity and word importance, where a word is important if it corresponds to an item aspect that the user is interested in. Second, to improve the interpretability of embedding space, we propose to extract high-level concepts from embeddings, where each concept corresponds to an item aspect. To learn discriminative concepts, we employ a concept bottleneck layer and maximize the coding rate reduction on word-aspect embeddings by leveraging a word–word affinity graph extracted from a pre-trained language model. In this way, DIRECT simultaneously achieves faithful attribution and usable interpretation of embedding space. We also show that DIRECT achieves linear inference time complexity regarding the length of item reviews. We conduct experiments including ablation studies on five real-world datasets. Quantitative analysis, visualizations, and case studies verify the interpretability of DIRECT. Our code is available at: https://github.com/JacksonWuxs/DIRECT .

Graph neural networks (GNNs) have shown prominent performance on attributed network embedding. However, existing efforts mainly focus on exploiting network structures, while the exploitation of node attributes is rather limited as they only serve as node features at the initial layer. This simple strategy impedes the potential of node attributes in augmenting node connections, leading to limited receptive field for inactive nodes with few or even no neighbors. Furthermore, the training objectives (i.e., reconstructing network structures) of most GNNs also do not include node attributes, although studies have shown that reconstructing node attributes is beneficial. Thus, it is encouraging to deeply involve node attributes in the key components of GNNs, including graph convolution operations and training objectives. However, this is a nontrivial task since an appropriate way of integration is required to maintain the merits of GNNs. To bridge the gap, in this paper, we propose COllaborative graph Neural Networks–CONN, a tailored GNN architecture for attribute network embedding. It improves model capacity by 1) selectively diffusing messages from neighboring nodes and involved attribute categories, and 2) jointly reconstructing node-to-node and node-to-attribute-category interactions via cross-correlation. Experiments on real-world networks demonstrate that CONN excels state-of-the-art embedding algorithms with a great margin.

Knowledge graphs (KGs) can structurally organize large-scale information in the form of triples and significantly support many real-world applications. While most KG embedding algorithms hold the assumption that all triples are correct, considerable errors were inevitably injected during the construction process. It is urgent to develop effective error-aware KG embedding, since errors in KGs would lead to significant performance degradation in downstream applications. To this end, we propose a novel framework named Attributed Error-aware Knowledge Embedding (AEKE). It leverages the semantics contained in entity attributes to guide the KG embedding model learning against the impact of erroneous triples. We design two triple-level hypergraphs to model the topological structures of the KG and its attributes, respectively. The confidence score of each triple is jointly calculated based on self-contradictory within the triple, consistency between local and global structures, and homogeneity between structures and attributes. We leverage confidence scores to adaptively update the weighted aggregation in the multi-view graph learning framework and margin loss in KG embedding, such that potential errors will contribute little to KG learning. Experiments on three real-world KGs demonstrate that AEKE outperforms state-of-the-art KG embedding and error detection algorithms.

Graph contrastive learning (GCL) has emerged as an effective tool to learn representations for whole graphs in the absence of labels. The key idea is to maximize the agreement between two augmented views of each graph via data augmentation. Existing GCL models mainly focus on applying identical augmentation strategies for all graphs within a given scenario. However, real-world graphs are often not monomorphic but abstractions of diverse natures. Even within the same scenario (e.g., macromolecules and online communities), different graphs might need diverse augmentations to perform effective GCL. Thus, blindly augmenting all graphs without considering their individual characteristics may undermine the performance of GCL arts. However, it is non-trivial to achieve personalized allocation since the search space for all graphs is exponential to the number of graphs. To bridge the gap, we propose the first principled framework, termed as Graph contrastive learning with Personalized Augmentation (GPA). It advances conventional GCL by allowing each graph to choose its own suitable augmentation operations. To cope with the huge search space, we design a tailored augmentation selector by converting the discrete space into continuous, which is a plug-and-play module and can be effectively trained with downstream GCL models end-to-end. Extensive experiments across 10 benchmark datasets from different types and domains demonstrate the superiority of GPA against state-of-the-art competitors. Moreover, by visualizing the learned augmentation distributions across different types of datasets, we show that GPA can effectively identify the most suitable augmentations for each graph based on its characteristics. The code is available athttps://github.com/qiaoyu-tan/GPA.

Graph clustering is a fundamental task in graph analysis, and recent advances in utilizing graph neural networks (GNNs) have shown impressive results. Despite the success of existing GNN-based graph clustering methods, they often overlook the quality of graph structure, which is inherent in real-world graphs due to their sparse and multifarious nature, leading to subpar performance. Graph structure learning allows refining the input graph by adding missing links and removing spurious connections. However, previous endeavors in graph structure learning have predominantly centered around supervised settings, and cannot be directly applied to our specific clustering tasks due to the absence of ground-truth labels. To bridge the gap, we propose a novel method called homophily-enhanced structure learning for graph clustering (HoLe). Our motivation stems from the observation that subtly enhancing the degree of homophily within the graph structure can significantly improve GNNs and clustering outcomes. To realize this objective, we develop two clustering-oriented structure learning modules, i.e., hierarchical correlation estimation and cluster-aware sparsification. The former module enables a more accurate estimation of pairwise node relationships by leveraging guidance from latent and clustering spaces, while the latter one generates a sparsified structure based on the similarity matrix and clustering assignments. Additionally, we devise a joint optimization approach alternating between training the homophily-enhanced structure learning and GNN-based clustering, thereby enforcing their reciprocal effects. Extensive experiments on seven benchmark datasets of various types and scales, across a range of clustering metrics, demonstrate the superiority of HoLe against state-of-the-art baselines.

Self-supervised learning with masked autoencoders has recently gained popularity for its ability to produce effective image or textual representations, which can be applied to various downstream tasks without retraining. However, we observe that the current masked autoencoder models lack good generalization ability on graph data. To tackle this issue, we propose a novel graph masked autoencoder framework called GiGaMAE. Different from existing masked autoencoders that learn node presentations by explicitly reconstructing the original graph components (e.g., features or edges), in this paper, we propose to collaboratively reconstruct informative and integrated latent embeddings. By considering embeddings encompassing graph topology and attribute information as reconstruction targets, our model could capture more generalized and comprehensive knowledge. Furthermore, we introduce a mutual information based reconstruction loss that enables the effective reconstruction of multiple targets. This learning objective allows us to differentiate between the exclusive knowledge learned from a single target and common knowledge shared by multiple targets. We evaluate our method on three downstream tasks with seven datasets as benchmarks. Extensive experiments demonstrate the superiority of GiGaMAE against state-of-the-art baselines. We hope our results will shed light on the design of foundation models on graph-structured data. Our code is available at: https://github.com/sycny/GiGaMAE.

Unsupervised graph anomaly detection is crucial for various practical applications as it aims to identify anomalies in a graph that exhibit rare patterns deviating significantly from the majority of nodes. Recent advancements have utilized Graph Neural Networks (GNNs) to learn high-quality node representations for anomaly detection by aggregating information from neighborhoods. However, the presence of anomalies may render the observed neighborhood unreliable and result in misleading information aggregation for node representation learning. Selecting the proper neighborhood is critical for graph anomaly detection but also challenging due to the absence of anomaly-oriented guidance and the interdependence with representation learning. To address these issues, we utilize the advantages of reinforcement learning in adaptively learning in complex environments and propose a novel method that incorporates Reinforcement neighborhood selection for unsupervised graph ANomaly Detection (RAND). RAND begins by enriching the candidate neighbor pool of the given central node with multiple types of indirect neighbors. Next, RAND designs a tailored reinforcement anomaly evaluation module to assess the reliability and reward of considering the given neighbor. Finally, RAND selects the most reliable subset of neighbors based on these rewards and introduces an anomaly-aware aggregator to amplify messages from reliable neighbors while diminishing messages from unreliable ones. Extensive experiments on both three synthetic and two real-world datasets demonstrate that RAND outperforms the state-of-the-art methods.

The recent breakthrough achieved by graph neural networks (GNNs) with few labeled data accelerates the pace of deploying GNNs on real-world applications. While several efforts have been made to scale GNNs training for large-scale graphs, GNNs still suffer from the scalability challenge of model inference, due to the graph dependency issue incurred by the message-passing mechanism, therefore hindering its deployment in resource-constrained applications. An intuitive remedy is compressing the cumbersome GNN model into inference-friendly multi-layer perceptrons (MLPs) using knowledge distillation (KD). However, the standard KD strategy, i.e., training MLPs using the soft labels of labeled and unlabeled nodes from the teacher, is suboptimal, since the GNN teacher would inevitably make wrong predictions for unlabeled data, especially in the semi-supervised scenario. To address this, we propose a novel Reliable Knowledge Distillation framework for MLP optimization (RKDMLP), which shows strong promise in achieving a “sweet point” in co-optimizing model accuracy and efficiency. Its core insight is to use a meta-policy to filter out those unreliable soft labels. To train the meta-policy, we design a reward-driven objective based on a meta-set and adopt policy gradient to optimize the expected reward. Then we apply the meta-policy to the unlabeled nodes and select the most reliable soft labels for distillation. Extensive experiments across various GNN backbones, on 7 small graphs and 2 large-scale datasets from the challenging Open Graph Benchmark, demonstrate the superiority of our proposal. Moreover, RKD-MLP also shows good robustness iv.r.t. graph topology and node feature noises.

Graph Neural Networks (GNNs) have emerged as the de facto standard for representation learning on graphs, owing to their ability to effectively integrate graph topology and node attributes. However, the inherent suboptimal nature of node connections, resulting from the complex and contingent formation process of graphs, presents significant challenges in modeling them effectively. To tackle this issue, Graph Structure Learning (GSL), a family of data-centric learning approaches, has garnered substantial attention in recent years. The core concept behind GSL is to jointly optimize the graph structure and the corresponding GNN models. Despite the proposal of numerous GSL methods, the progress in this field remains unclear due to inconsistent experimental protocols, including variations in datasets, data processing techniques, and splitting strategies. In this paper, we introduce OpenGSL, the first comprehensive benchmark for GSL, aimed at addressing this gap. OpenGSL enables a fair comparison among state-of-the-art GSL methods by evaluating them across various popular datasets using uniform data processing and splitting strategies. Through extensive experiments, we observe that existing GSL methods do not consistently outperform vanilla GNN counterparts. We also find that there is no significant correlation between the homophily of the learned structure and task performance, challenging the common belief. Moreover, we observe that the learned graph structure demonstrates a strong generalization ability across different GNN models, despite the high computational and space consumption. We hope that our open-sourced library will facilitate rapid and equitable evaluation and inspire further innovative research in this field. The code of the benchmark can be found in https://github.com/OpenGSL/OpenGSL.

Knowledge graphs (KGs) could effectively integrate a large number of real-world assertions, and improve the performance of various applications, such as recommendation and search. KG error detection has been intensively studied since real-world KGs inevitably contain erroneous triples. While existing studies focus on developing a novel algorithm dedicated to one or a few data characteristics, we explore advancing KG error detection by assembling a set of state-of-the-art (SOTA) KG error detectors. However, it is nontrivial to develop a practical ensemble learning framework for KG error detection. Existing ensemble learning models heavily rely on labels, while it is expensive to acquire labeled errors in KGs. Also, KG error detection itself is challenging since triples contain rich semantic information and might be false because of various reasons. To this end, we propose to leverage active learning to minimize human efforts. Our proposed framework - KAEL, could effectively assemble a set of off-the-shelf error detection algorithms, by actively using a limited number of manual annotations. It adaptively updates the ensemble learning policy in each iteration based on active queries, i.e., the answers from experts. After all annotation budget is used, KAEL utilizes the trained policy to identify remaining suspicious triples. Experiments on real-world KGs demonstrate that we can achieve significant improvement when applying KAEL to assemble SOTA error detectors. KAEL also outperforms SOTA ensemble learning baselines significantly.

Self-supervised learning (SSL) has been demonstrated to be effective in pre-training models that can be generalized to various downstream tasks. Graph Autoencoder (GAE), an increasingly popular SSL approach on graphs, has been widely explored to learn node representations without ground-truth labels. However, recent studies show that existing GAE methods could only perform well on link prediction tasks, while their performance on classification tasks is rather limited. This limitation casts doubt on the generalizability and adoption of GAE. In this paper, for the first time, we show that GAE can generalize well to both link prediction and classification scenarios, including node-level and graph-level tasks, by redesigning its critical building blocks from the graph masking perspective. Our proposal is called Self-Supervised Graph Autoencoder--S2GAE, which unleashes the power of GAEs with minimal yet nontrivial efforts. Specifically, instead of reconstructing the whole input structure, we randomly mask a portion of edges and learn to reconstruct these missing edges with an effective masking strategy and an expressive decoder network. Moreover, we theoretically prove that S2GAE could be regarded as an edge-level contrastive learning framework, providing insights into why it generalizes well. Empirically, we conduct extensive experiments on 21 benchmark datasets across link prediction and node & graph classification tasks. The results validate the superiority of S2GAE against state-of-the-art generative and contrastive methods. This study demonstrates the potential of GAE as a universal representation learner on graphs. Our code is publicly available at https://github.com/qiaoyu-tan/S2GAE.

Graph neural networks (GNNs) have received remarkable success in link prediction (GNNLP) tasks. Existing efforts first predefine the subgraph for the whole dataset and then apply GNNs to encode edge representations by leveraging the neighborhood structure induced by the fixed subgraph. The prominence of GNNLP methods significantly relies on the adhoc subgraph. Since node connectivity in real-world graphs is complex, one shared subgraph is limited for all edges. Thus, the choices of subgraphs should be personalized to different edges. However, performing personalized subgraph selection is nontrivial since the potential selection space grows exponentially to the scale of edges. Besides, the inference edges are not available during training in link prediction scenarios, so the selection process needs to be inductive. To bridge the gap, we introduce a Personalized Subgraph Selector (PS2) as a plug-and-play framework to automatically, personally, and inductively identify optimal subgraphs for different edges when performing GNNLP. PS2 is instantiated as a bi-level optimization problem that can be efficiently solved differently. Coupling GNNLP models with PS2, we suggest a brand-new angle towards GNNLP training: by first identifying the optimal subgraphs for edges; and then focusing on training the inference model by using the sampled subgraphs. Comprehensive experiments endorse the effectiveness of our proposed method across various GNNLP backbones (GCN, GraphSage, NGCF, LightGCN, and SEAL) and diverse benchmarks (Planetoid, OGB, and Recommendation datasets). Our code is publicly available at https://github.com/qiaoyu-tan/PS2

Knowledge graphs (KGs) have been widely used to enhance complex question answering (QA). To understand complex questions, existing studies employ language models (LMs) to encode contexts. Despite the simplicity, they neglect the latent relational information among question concepts and answers in KGs. While question concepts ubiquitously present hyponymy at the semantic level, e.g., mammals and animals, this feature is identically reflected in the hierarchical relations in KGs, e.g., a_type_of. Therefore, we are motivated to explore comprehensive reasoning by the hierarchical structures in KGs to help understand questions. However, it is non-trivial to reason over tree-like structures compared with chained paths. Moreover, identifying appropriate hierarchies relies on expertise. To this end, we propose HamQA, a novel Hierarchy-aware multi-hop Question Answering framework on knowledge graphs, to effectively align the mutual hierarchical information between question contexts and KGs. The entire learning is conducted in Hyperbolic space, inspired by its advantages of embedding hierarchical structures. Specifically, (i) we design a context-aware graph attentive network to capture context information. (ii) Hierarchical structures are continuously preserved in KGs by minimizing the Hyperbolic geodesic distances. The comprehensive reasoning is conducted to jointly train both components and provide a top-ranked candidate as an optimal answer. We achieve a higher ranking than the state-of-the-art multi-hop baselines on the official OpenBookQA leaderboard with an accuracy of 85%.

Imbalanced learning is a fundamental challenge in data mining, where there is a disproportionate ratio of training samples in each class. Over-sampling is an effective technique to tackle imbalanced learning through generating synthetic samples for the minority class. While numerous over-sampling algorithms have been proposed, they heavily rely on heuristics, which could be sub-optimal since we may need different sampling strategies for different datasets and base classifiers, and they cannot directly optimize the performance metric. Motivated by this, we investigate developing a learning-based over-sampling algorithm to optimize the classification performance, which is a challenging task because of the huge and hierarchical decision space. At the high level, we need to decide how many synthetic samples to generate. At the low level, we need to determine where the synthetic samples should be located, which depends on the high-level decision since the optimal locations of the samples may differ for different numbers of samples. To address the challenges, we propose AutoSMOTE, an automated over-sampling algorithm that can jointly optimize different levels of decisions. Motivated by the success of SMOTE and its extensions, we formulate the generation process as a Markov decision process (MDP) consisting of three levels of policies to generate synthetic samples within the SMOTE search space. Then we leverage deep hierarchical reinforcement learning to optimize the performance metric on the validation data. Extensive experiments on six real-world datasets demonstrate that AutoSMOTE significantly outperforms the state-of-the-art resampling algorithms. The code is at https://github.com/daochenzha/autosmote

We study embedding table placement for distributed recommender systems, which aims to partition and place the tables on multiple hardware devices (e.g., GPUs) to balance the computation and communication costs. Although prior work has explored learning-based approaches for the device placement of computational graphs, embedding table placement remains to be a challenging problem because of 1) the operation fusion of embedding tables, and 2) the generalizability requirement on unseen placement tasks with different numbers of tables and/or devices. To this end, we present DreamShard, a reinforcement learning (RL) approach for embedding table placement. DreamShard achieves the reasoning of operation fusion and generalizability with 1) a cost network to directly predict the costs of the fused operation, and 2) a policy network that is efficiently trained on an estimated Markov decision process (MDP) without real GPU execution, where the states and the rewards are estimated with the cost network. Equipped with sum and max representation reductions, the two networks can directly generalize to any unseen tasks with different numbers of tables and/or devices without fine-tuning. Extensive experiments show that DreamShard substantially outperforms the existing human expert and RNN-based strategies with up to 19% speedup over the strongest baseline on large-scale synthetic tables and our production tables. The code is available.

Network anomaly detection is a crucial task since a few anomalies can cause huge losses. Semi-supervised anomaly detection methods can effectively leverage a small number of labels as prior knowledge to enhance detection accuracy. But in real-world scenarios, novel types of anomalies (i.e., unseen anomalies) usually exist on networks which may present different characteristics with the seen anomalies and are hard to be identified by prior semi-supervised anomaly detection methods. In this paper, we propose the novel problem of unseen network anomaly detection that aims to identify both seen and unseen anomalies to eliminate potential dangers. Accordingly, we propose a method called Multi-hypersphere Graph Learning (MHGL) to effectively leverage existing labels by learning fine-grained normal patterns to discriminate anomalies. Experiments demonstrate that MHGL outperforms state-of-the-art methods significantly.

Sequential recommendation has become increasingly essential in various online services. It aims to model the dynamic preferences of users from their historical interactions and predict their next items. The accumulated user behavior records on real systems could be very long. This rich data brings opportunities to track actual interests of users. Prior efforts mainly focus on making recommendations based on relatively recent behaviors. However, the overall sequential data may not be effectively utilized, as early interactions might affect users' current choices. Also, it has become intolerable to scan the entire behavior sequence when performing inference for each user, since real-world system requires short response time. To bridge the gap, we propose a novel long sequential recommendation model, called Dynamic Memory-based Attention Network (DMAN). It segments the overall long behavior sequence into a series of sub-sequences, then trains the model and maintains a set of memory blocks to preserve long-term interests of users. To improve memory fidelity, DMAN dynamically abstracts each user's long-term interest into its own memory blocks by minimizing an auxiliary reconstruction loss. Based on the dynamic memory, the user's short-term and long-term interests can be explicitly extracted and combined for efficient joint recommendation. Empirical results over four benchmark datasets demonstrate the superiority of our model in capturing long-term dependency over various state-of-the-art sequential models.

Attributed network anomaly detection is essential in various networked systems. It aims to detect nodes that significantly deviate from their corresponding background. In conventional anomaly detection, the background is defined as the vast majority. But in networks, anomalies can be local and look normal when compared with the majority. While several efforts have explored to consider communities as the background, it remains challenging to learn suitable communities for effective anomaly detection. Also, the patterns of anomalies are unknown and it is nontrivial to define criteria of anomalies. To bridge the gap, in this paper, we argue that, by using appropriate models, it is sufficient to simply consider neighbor nodes as the background to detect anomalies. Correspondingly, we propose a novel abnormality-aware graph neural network (AAGNN). It utilizes subtractive aggregation to represent each node as the deviation from its neighbors (the background). Normal nodes with high confidence are employed as labels to learn a tailored hypersphere as the criterion of anomalies. Experiments demonstrate that AAGNN surpasses state-of-the-art methods significantly.

Session-based recommendation aims to predict the next item that is most likely to be clicked by an anonymous user, based on his/her clicking sequence within one visit. It becomes an essential function of many recommender systems since it protects privacy. However, as the accumulated session records keep increasing, it becomes challenging to model the user interests since they would drift when the time span is large. Efforts have been devoted to handling dynamic user interests by modeling all historical sessions at one time or conducting offline retraining regularly. These solutions are far from practical requirements in terms of efficiency and capturing timely user interests. To this end, we propose a memory-efficient framework - TASRec. It constructs a graph for each day to model the relations among items. Thus, the same item on different days could have different neighbors, corresponding to the drifting user interests. We design a tailored graph neural network to embed this dynamic graph of items and learn temporal augmented item representations. Based on this, we leverage a sequential neural architecture to predict the next item of a given sequence. Experiments on real-world datasets demonstrate that TASRec outperforms state-of-the-art session-based recommendation methods.

Recent methods in sequential recommendation focus on learning an overall embedding vector from a user's behavior sequence for the next-item recommendation. However, from empirical analysis, we discovered that a user's behavior sequence often contains multiple conceptually distinct items, while a unified embedding vector is primarily affected by one's most recent frequent actions. Thus, it may fail to infer the next preferred item if conceptually similar items are not dominant in recent interactions. To this end, an alternative solution is to represent each user with multiple embedding vectors encoding different aspects of the user's intentions. Nevertheless, recent work on multi-interest embedding usually considers a small number of concepts discovered via clustering, which may not be comparable to the large pool of item categories in real systems. It is a non-trivial task to effectively model a large number of diverse conceptual prototypes, as items are often not conceptually well clustered in fine granularity. Besides, an individual usually interacts with only a sparse set of concepts. In light of this, we propose a novel Sparse Interest NEtwork (SINE) for sequential recommendation. Our sparse-interest module can adaptively infer a sparse set of concepts for each user from the large concept pool and output multiple embeddings accordingly. Given multiple interest embeddings, we develop an interest aggregation module to actively predict the user's current intention and then use it to explicitly model multiple interests for next-item prediction. Empirical results on several public benchmark datasets and one large-scale industrial dataset demonstrate that SINE can achieve substantial improvement over state-of-the-art methods.

In multiview multilabel learning, each object is represented by several heterogeneous feature representations and is also annotated with a set of discrete nonexclusive labels. Previous studies typically focus on capturing the shared latent patterns among multiple views, while not sufficiently considering the diverse characteristics of individual views, which can cause performance degradation. In this article, we propose a novel approach [individuality- and commonality-based multiview multilabel learning (ICM2L)] to explicitly explore the individuality and commonality information of multilabel multiple view data in a unified model. Specifically, a common subspace is learned across different views to capture the shared patterns. Then, multiple individual classifiers are exploited to explore the characteristics of individual views. Next, an ensemble strategy is adopted to make a prediction. Finally, we develop an alternative solution to jointly optimize our model, which can enhance the robustness of the proposed model toward rare labels and reinforce the reciprocal effects of individuality and commonality among heterogeneous views, and thus further improve the performance. Experiments on various real-word datasets validate the effectiveness of ICM2L against the state-of-the-art solutions, and ICM2L can leverage the individuality and commonality information to achieve an improved performance as well as to enhance the robustness toward rare labels.

Recommender systems in industry generally include two stages: recall and ranking. Recall refers to efficiently identify hundreds of candidate items that user may interest in from a large volume of item corpus, while the latter aims to output a precise ranking list using complex ranking models. Recently, graph representation learning has attracted much attention in supporting high quality candidate search at scale. Despite its effectiveness in learning embedding vectors for objects in the user-item interaction network, the computational costs to infer users’ preferences in continuous embedding space are tremendous. In this work, we investigate the problem of hashing with graph neural networks (GNNs) for high quality retrieval, and propose a simple yet effective discrete representation learning framework to jointly learn continuous and discrete codes. Specifically, a deep hashing with GNNs (HashGNN) is presented, which consists of two components, a GNN encoder for learning node representations, and a hash layer for encoding representations to hash codes. The whole architecture is trained end-to-end by jointly optimizing two losses, i.e., reconstruction loss from reconstructing observed links, and ranking loss from preserving the relative ordering of hash codes. A novel discrete optimization strategy based on straight through estimator (STE) with guidance is proposed. The principal idea is to avoid gradient magnification in back-propagation of STE with continuous embedding guidance, in which we begin from learning an easier network that mimic the continuous embedding and let it evolve during the training until it finally goes back to STE. Comprehensive experiments over three publicly available and one real-world Alibaba company datasets demonstrate that our model not only can achieve comparable performance compared with its continuous counterpart but also runs multiple times faster during inference.

Networks have been widely used as the data structure for abstracting real-world systems as well as organizing the relations among entities. Network embedding models are powerful tools in mapping nodes in a network into continuous vector-space representations in order to facilitate subsequent tasks such as classification and link prediction. Existing network embedding models comprehensively integrate all information of each node, such as links and attributes, towards a single embedding vector to represent the node's general role in the network. However, a real-world entity could be multifaceted, where it connects to different neighborhoods due to different motives or self-characteristics that are not necessarily correlated. For example, in a movie recommender system, a user may love comedies or horror movies simultaneously, but it is not likely that these two types of movies are mutually close in the embedding space, nor the user embedding vector could be sufficiently close to them at the same time. In this paper, we propose a polysemous embedding approach for modeling multiple facets of nodes, as motivated by the phenomenon of word polysemy in language modeling. Each facet of a node is mapped to an embedding vector, while we also maintain an association degree between each pair of node and facet. The proposed method is adaptive to various existing embedding models, without significantly complicating the optimization process. We also discuss how to engage embedding vectors of different facets for inference tasks including classification and link prediction. Experiments on real-world datasets help comprehensively evaluate the performance of the proposed method.

Learning from multi-view multi-label data has wide applications. There are two main challenges of this learning task: incomplete views and missing (weak) labels. The former assumes that views may not include all data objects. The weak label setting implies that only a subset of relevant labels are provided for training objects while other labels are missing. Both incomplete views and weak labels can lead to significant performance degradation. In this paper, we propose a novel model (iMVWL) to jointly address the two challenges. iMVWL simultaneously learns a shared subspace from incomplete views with weak labels, the local label structure and the predictor in this subspace, which can not only capture cross-view relationships but also weak-label information of training samples. We further develop an alternative solution to optimize our model, this solution can avoid suboptimal results and reinforce their reciprocal effects, and thus further improve the performance. Extensive experimental results on several real-world datasets validate the effectiveness of our model against other competitive algorithms.

Weak-label learning is an important branch of multi-label learning; it deals with samples annotated with incomplete (weak) labels. Previous work on weak-label learning mainly considers data represented by a single view. An intuitive way to leverage multiple features obtained from different views is to concatenate the features into a single vector. However, this process is not only prone to over-fitting and often results in very high time-complexity, but also ignores the potentially useful complementary information spread across the different views. In this paper, we propose an approach based on Matrix Completion for multi-view Weak-label Learning (McWL). Matrix completion (MC) has sound theoretical properties and is robust to missing values in both feature and label spaces. Our method enforces the optimization of multiple view integration and of MC-based classification within a unified objective function. Specifically, a kernel target alignment technique and the loss function of an MC-based classifier are used to jointly and iteratively adjust the weights assigned to individual views, and to optimize the classifier. McWL can selectively integrate views and is able to assign small weights to views of low quality. Extensive experiments on a broad range of datasets validate the effectiveness of our approach against competitive algorithms.