Abstract:Graph Machine Learning is essential for understanding and analyzing relational data. However, privacy-sensitive applications demand the ability to efficiently remove sensitive information from trained graph neural networks (GNNs), avoiding the unnecessary time and space overhead caused by retraining models from scratch. To address this issue, Graph Unlearning (GU) has emerged as a critical solution, with the potential to support dynamic graph updates in data management systems and enable scalable unlearning in distributed data systems while ensuring privacy compliance. Unlike machine unlearning in computer vision or other fields, GU faces unique difficulties due to the non-Euclidean nature of graph data and the recursive message-passing mechanism of GNNs. Additionally, the diversity of downstream tasks and the complexity of unlearning requests further amplify these challenges. Despite the proliferation of diverse GU strategies, the absence of a benchmark providing fair comparisons for GU, and the limited flexibility in combining downstream tasks and unlearning requests, have yielded inconsistencies in evaluations, hindering the development of this domain. To fill this gap, we present OpenGU, the first GU benchmark, where 16 SOTA GU algorithms and 37 multi-domain datasets are integrated, enabling various downstream tasks with 13 GNN backbones when responding to flexible unlearning requests. Based on this unified benchmark framework, we are able to provide a comprehensive and fair evaluation for GU. Through extensive experimentation, we have drawn $8$ crucial conclusions about existing GU methods, while also gaining valuable insights into their limitations, shedding light on potential avenues for future research.
Abstract:With the increasing prevalence of cross-domain Text-Attributed Graph (TAG) Data (e.g., citation networks, recommendation systems, social networks, and ai4science), the integration of Graph Neural Networks (GNNs) and Large Language Models (LLMs) into a unified Model architecture (e.g., LLM as enhancer, LLM as collaborators, LLM as predictor) has emerged as a promising technological paradigm. The core of this new graph learning paradigm lies in the synergistic combination of GNNs' ability to capture complex structural relationships and LLMs' proficiency in understanding informative contexts from the rich textual descriptions of graphs. Therefore, we can leverage graph description texts with rich semantic context to fundamentally enhance Data quality, thereby improving the representational capacity of model-centric approaches in line with data-centric machine learning principles. By leveraging the strengths of these distinct neural network architectures, this integrated approach addresses a wide range of TAG-based Task (e.g., graph learning, graph reasoning, and graph question answering), particularly in complex industrial scenarios (e.g., supervised, few-shot, and zero-shot settings). In other words, we can treat text as a medium to enable cross-domain generalization of graph learning Model, allowing a single graph model to effectively handle the diversity of downstream graph-based Task across different data domains. This work serves as a foundational reference for researchers and practitioners looking to advance graph learning methodologies in the rapidly evolving landscape of LLM. We consistently maintain the related open-source materials at \url{https://github.com/xkLi-Allen/Awesome-GNN-in-LLMs-Papers}.
Abstract:Graph propagation (GP) computation plays a crucial role in graph data analysis, supporting various applications such as graph node similarity queries, graph node ranking, graph clustering, and graph neural networks. Existing methods, mainly relying on power iteration or push computation frameworks, often face challenges with slow convergence rates when applied to large-scale graphs. To address this issue, we propose a novel and powerful approach that accelerates power iteration and push methods using Chebyshev polynomials. Specifically, we first present a novel Chebyshev expansion formula for general GP functions, offering a new perspective on GP computation and achieving accelerated convergence. Building on these theoretical insights, we develop a novel Chebyshev power iteration method (\ltwocheb) and a novel Chebyshev push method (\chebpush). Our \ltwocheb method demonstrates an approximate acceleration of $O(\sqrt{N})$ compared to existing power iteration techniques for both personalized PageRank and heat kernel PageRank computations, which are well-studied GP problems. For \chebpush, we propose an innovative subset Chebyshev recurrence technique, enabling the design of a push-style local algorithm with provable error guarantee and reduced time complexity compared to existing push methods. We conduct extensive experiments using 5 large real-world datasets to evaluate our proposed algorithms, demonstrating their superior efficiency compared to state-of-the-art approaches.
Abstract:Trajectory prediction of agents is crucial for the safety of autonomous vehicles, whereas previous approaches usually rely on sufficiently long-observed trajectory to predict the future trajectory of the agents. However, in real-world scenarios, it is not realistic to collect adequate observed locations for moving agents, leading to the collapse of most prediction models. For instance, when a moving car suddenly appears and is very close to an autonomous vehicle because of the obstruction, it is quite necessary for the autonomous vehicle to quickly and accurately predict the future trajectories of the car with limited observed trajectory locations. In light of this, we focus on investigating the task of instantaneous trajectory prediction, i.e., two observed locations are available during inference. To this end, we propose a general and plug-and-play instantaneous trajectory prediction approach, called ITPNet. Specifically, we propose a backward forecasting mechanism to reversely predict the latent feature representations of unobserved historical trajectories of the agent based on its two observed locations and then leverage them as complementary information for future trajectory prediction. Meanwhile, due to the inevitable existence of noise and redundancy in the predicted latent feature representations, we further devise a Noise Redundancy Reduction Former, aiming at to filter out noise and redundancy from unobserved trajectories and integrate the filtered features and observed features into a compact query for future trajectory predictions. In essence, ITPNet can be naturally compatible with existing trajectory prediction models, enabling them to gracefully handle the case of instantaneous trajectory prediction. Extensive experiments on the Argoverse and nuScenes datasets demonstrate ITPNet outperforms the baselines, and its efficacy with different trajectory prediction models.
Abstract:Deep learning models are usually black boxes when deployed on machine learning platforms. Prior works have shown that the attributes (e.g., the number of convolutional layers) of a target black-box model can be exposed through a sequence of queries. There is a crucial limitation: these works assume the training dataset of the target model is known beforehand and leverage this dataset for model attribute attack. However, it is difficult to access the training dataset of the target black-box model in reality. Therefore, whether the attributes of a target black-box model could be still revealed in this case is doubtful. In this paper, we investigate a new problem of black-box reverse engineering, without requiring the availability of the target model's training dataset. We put forward a general and principled framework DREAM, by casting this problem as out-of-distribution (OOD) generalization. In this way, we can learn a domain-agnostic meta-model to infer the attributes of the target black-box model with unknown training data. This makes our method one of the kinds that can gracefully apply to an arbitrary domain for model attribute reverse engineering with strong generalization ability. Extensive experimental results demonstrate the superiority of our proposed method over the baselines.
Abstract:Query-driven learned estimators are accurate, flexible, and lightweight alternatives to traditional estimators in query optimization. However, existing query-driven approaches struggle with the Out-of-distribution (OOD) problem, where the test workload distribution differs from the training workload, leading to performancedegradation. In this paper, we present CardOOD, a general learning framework designed to construct robust query-driven cardinality estimators that are resilient against the OOD problem. Our framework focuses on offline training algorithms that develop one-off models from a static workload, suitable for model initialization and periodic retraining. In CardOOD, we extend classical transfer/robust learning techniques to train query-driven cardinalityestimators, and the algorithms fall into three categories: representation learning, data manipulation, and new learning strategies. As these learning techniques are originally evaluated in computervision tasks, we also propose a new learning algorithm that exploits the property of cardinality estimation. This algorithm, lying in the category of new learning strategy, models the partial order constraint of cardinalities by a self-supervised learning task. Comprehensive experimental studies demonstrate the efficacy of the algorithms of CardOOD in mitigating the OOD problem to varying extents. We further integrate CardOOD into PostgreSQL, showcasing its practical utility in query optimization.
Abstract:In recent years, Graph Neural Networks (GNNs) have made significant advances in processing structured data. However, most of them primarily adopted a model-centric approach, which simplifies graphs by converting it into undirected formats and emphasizes model designs. This approach is inherently constrained in real-world applications due to inevitable information loss in simple undirected graphs and data-driven model optimization dilemmas associated with exceeding the upper bounds of representational capacity. As a result, there has been a shift toward data-centric methods that prioritize improving graph quality and representation. Specifically, various types of graphs can be derived from naturally structured data, including heterogeneous graphs, hypergraphs, and directed graphs. Among these, directed graphs offer distinct advantages in topological systems by modeling causal relationships, and directed GNNs have been extensively studied in recent years. However, a comprehensive survey of this emerging topic is still lacking. Therefore, we aim to provide a comprehensive review of directed graph learning, with a particular focus on a data-centric perspective. Specifically, we first introduce a novel taxonomy for existing studies. Subsequently, we re-examine these methods from the data-centric perspective, with an emphasis on understanding and improving data representation. It demonstrates that a deep understanding of directed graphs and its quality plays a crucial role in model performance. Additionally, we explore the diverse applications of directed GNNs across 10+ domains, highlighting their broad applicability. Finally, we identify key opportunities and challenges within the field, offering insights that can guide future research and development in directed graph learning.
Abstract:Recently, graph neural network (GNN) has emerged as a powerful representation learning tool for graph-structured data. However, most approaches are tailored for undirected graphs, neglecting the abundant information embedded in the edges of directed graphs (digraphs). In fact, digraphs are widely applied in the real world (e.g., social networks and recommendations) and are also confirmed to offer a new perspective for addressing topological heterophily challenges (i.e., connected nodes have complex patterns of feature distribution or labels). Despite recent significant advancements in DiGNNs, existing spatial- and spectral-based methods have inherent limitations due to the complex learning mechanisms and reliance on high-quality topology, leading to low efficiency and unstable performance. To address these issues, we propose Directed Random Walk (DiRW), which can be viewed as a plug-and-play strategy or an innovative neural architecture that provides a guidance or new learning paradigm for most spatial-based methods or digraphs. Specifically, DiRW incorporates a direction-aware path sampler optimized from the perspectives of walk probability, length, and number in a weight-free manner by considering node profiles and topological structure. Building upon this, DiRW utilizes a node-wise learnable path aggregator for generalized messages obtained by our proposed adaptive walkers to represent the current node. Extensive experiments on 9 datasets demonstrate that DiRW: (1) enhances most spatial-based methods as a plug-and-play strategy; (2) achieves SOTA performance as a new digraph learning paradigm.
Abstract:Low-rank training has emerged as a promising approach for reducing memory usage in training Large Language Models (LLMs). Previous methods either rely on decomposing weight matrices (e.g., LoRA), or seek to decompose gradient matrices (e.g., GaLore) to ensure reduced memory consumption. However, both of them constrain the training in a low-rank subspace, thus inevitably leading to sub-optimal performance. This raises a question: whether it is possible to consistently preserve the low-rank constraint for memory efficiency, while achieving full-rank training (i.e., training with full-rank gradients of full-rank weights) to avoid inferior outcomes? In this paper, we propose a new plug-and-play training framework for LLMs called Fira, as the first attempt to achieve this goal. First, we observe an interesting phenomenon during LLM training: the scaling impact of adaptive optimizers (e.g., Adam) on the gradient norm remains similar from low-rank to full-rank training. Based on this observation, we propose a norm-based scaling method, which utilizes the scaling impact of low-rank optimizers as substitutes for that of original full-rank optimizers to enable full-rank training. In this way, we can preserve the low-rank constraint in the optimizer while achieving full-rank training for better performance. Moreover, we find that there are sudden gradient rises during the optimization process, potentially causing loss spikes. To address this, we further put forward a norm-growth limiter to smooth the gradient via regulating the relative increase of gradient norms. Extensive experiments on the pre-training and fine-tuning of LLMs show that Fira outperforms both LoRA and GaLore, achieving performance that is comparable to or even better than full-rank training.
Abstract:Data selection is of great significance in pre-training large language models, given the variation in quality within the large-scale available training corpora. To achieve this, researchers are currently investigating the use of data influence to measure the importance of data instances, $i.e.,$ a high influence score indicates that incorporating this instance to the training set is likely to enhance the model performance. Consequently, they select the top-$k$ instances with the highest scores. However, this approach has several limitations. (1) Computing the influence of all available data is time-consuming. (2) The selected data instances are not diverse enough, which may hinder the pre-trained model's ability to generalize effectively to various downstream tasks. In this paper, we introduce \texttt{Quad}, a data selection approach that considers both quality and diversity by using data influence to achieve state-of-the-art pre-training results. In particular, noting that attention layers capture extensive semantic details, we have adapted the accelerated $iHVP$ computation methods for attention layers, enhancing our ability to evaluate the influence of data, $i.e.,$ its quality. For the diversity, \texttt{Quad} clusters the dataset into similar data instances within each cluster and diverse instances across different clusters. For each cluster, if we opt to select data from it, we take some samples to evaluate the influence to prevent processing all instances. To determine which clusters to select, we utilize the classic Multi-Armed Bandit method, treating each cluster as an arm. This approach favors clusters with highly influential instances (ensuring high quality) or clusters that have been selected less frequently (ensuring diversity), thereby well balancing between quality and diversity.