The data-centric paradigm has emerged as a pivotal direction in artificial intelligence (AI), emphasizing the role of high-quality training data. This shift is especially critical in the Text-to-SQL task, where the scarcity, limited diversity, and structural simplicity of existing datasets constrain model performance. To address these challenges, we propose Text2SQL-Flow, a SQL-aware data augmentation framework that systematically generates large-scale, semantically valid, and structurally diverse Text-to-SQL pairs from limited seed data. Our framework spans six augmentation dimensions and integrates an end-to-end pipeline with auxiliary database selection, SQL executability verification, natural language (NL) question generation, NL-SQL correspondence verification, and chain-of-thought (CoT) reasoning trace generation. Leveraging this framework, we construct SQLFlow, a high-quality dataset comprising 75,386 annotated examples. We demonstrate the utility of SQLFlow in both fine-tuning and prompt-based settings. (1) For open-source large language models (LLMs), fine-tuning with SQLFlow improves problem-solving ability, delivering competitive gains across multiple benchmarks under the same data budget. (2) For closed-source LLMs, we propose a masked alignment retrieval method that uses SQLFlow as both a knowledge base and training data for the retrieval model, enabling structure-aware example matching via fine-grained NL-SQL alignments. Experiments show that our retrieval strategy outperforms existing example retrieval methods, highlighting the combined value of SQLFlow's data quality and our retrieval technique. Overall, our work provides a scalable, data-centric foundation for advancing Text-to-SQL systems and underscores the importance of structured, high-fidelity data in modern AI development. Our code is available at https://github.com/TechNomad-ds/Text2SQL-Flow.

The proliferation of unstructured data poses a fundamental challenge to traditional database interfaces. While Text-to-SQL has democratized access to structured data, it remains incapable of interpreting semantic or multi-modal queries. Concurrently, vector search has emerged as the de facto standard for querying unstructured data, but its integration with SQL-termed VectorSQL-still relies on manual query crafting and lacks standardized evaluation methodologies, creating a significant gap between its potential and practical application. To bridge this fundamental gap, we introduce and formalize Text2VectorSQL, a novel task to establish a unified natural language interface for seamlessly querying both structured and unstructured data. To catalyze research in this new domain, we present a comprehensive foundational ecosystem, including: (1) A scalable and robust pipeline for synthesizing high-quality Text-to-VectorSQL training data. (2) VectorSQLBench, the first large-scale, multi-faceted benchmark for this task, encompassing 12 distinct combinations across three database backends (SQLite, PostgreSQL, ClickHouse) and four data sources (BIRD, Spider, arXiv, Wikipedia). (3) Several novel evaluation metrics designed for more nuanced performance analysis. Extensive experiments not only confirm strong baseline performance with our trained models, but also reveal the recall degradation challenge: the integration of SQL filters with vector search can lead to more pronounced result omissions than in conventional filtered vector search. By defining the core task, delivering the essential data and evaluation infrastructure, and identifying key research challenges, our work lays the essential groundwork to build the next generation of unified and intelligent data interfaces. Our repository is available at https://github.com/OpenDCAI/Text2VectorSQL.

Large Language Models (LLMs) have recently achieved remarkable progress in mathematical reasoning. To enable such capabilities, many existing works distill strong reasoning models into long chains of thought or design algorithms to construct high-quality math question-answer (QA) data for training. However, these efforts primarily focus on generating correct reasoning paths and answers, while largely overlooking the correctness of the questions themselves. In this work, we present ValiMath, a benchmark consisting of 2147 human-verified mathematical questions covering a wide range of domains such as arithmetic, algebra, and geometry, which are synthesized and curated from the NuminaMath dataset. Each question is annotated with its logical structure, domain coverage, and question correctness, enabling fine-grained evaluation of question quality. ValiMath serves as a high-quality gold-standard test set for validating mathematical questions in LLM training corpora. Building upon this benchmark, we further propose MathQ-Verify, a pipeline that performs fine-grained parsing of mathematical questions into atomic assumptions and conclusions, and evaluates their semantic soundness through consistency checks. This pipeline achieves high precision in detecting flawed questions and provides a reliable foundation for cleaning noisy mathematical datasets. Experiments show that MathQ-Verify achieves state-of-the-art performance across multiple benchmarks, improving the F1 score by up to 25 percentage points over the direct verification baseline. MathQ-Verify offers a scalable and accurate solution for curating reliable mathematical datasets, reducing label noise and avoiding unnecessary computation on invalid questions. Our code and data are available at the repository https://github.com/OpenDCAI/MathQ-Verify.

Long videos contain a vast amount of information, making video-text retrieval an essential and challenging task in multimodal learning and web-scale search. On today's Web, where users increasingly expect to locate not only relevant pages but also specific long videos or fine-grained clips, existing benchmarks fall short due to limited video duration, low-quality captions, and coarse annotation granularity. To address these limitations, we introduce LoVR, a benchmark specifically designed for long video-text retrieval. LoVR contains 467 long videos and over 40,804 fine-grained clips with high-quality captions. To overcome the issue of poor machine-generated annotations, we propose an efficient caption generation framework that integrates VLM automatic generation, caption quality scoring, and dynamic refinement. This pipeline improves annotation accuracy while maintaining scalability. Furthermore, we introduce a semantic fusion method to generate coherent full-video captions without losing important contextual information. Our benchmark introduces longer videos, more detailed captions, and a larger-scale dataset, presenting new challenges for video understanding and retrieval. Extensive experiments on various advanced models demonstrate that LoVR is a challenging benchmark, revealing the limitations of current approaches and providing valuable insights for future research. We release the code link at https://github.com/TechNomad-ds/LoVR-benchmark/.

Advancements in model algorithms, the growth of foundational models, and access to high-quality datasets have propelled the evolution of Artificial Intelligence Generated Content (AIGC). Despite its notable successes, AIGC still faces hurdles such as updating knowledge, handling long-tail data, mitigating data leakage, and managing high training and inference costs. Retrieval-augmented generation (RAG) has recently emerged as a paradigm to address such challenges. In particular, RAG introduces the information retrieval process, which enhances the generation process by retrieving relevant objects from available data stores, leading to higher accuracy and better robustness. In this paper, we comprehensively review existing efforts that integrate RAG techniques into AIGC scenarios. We first classify RAG foundations according to how the retriever augments the generator, distilling the fundamental abstractions of the augmentation methodologies for various retrievers and generators. This unified perspective encompasses all RAG scenarios, illuminating advancements and pivotal technologies that help with potential future progress. We also summarize additional enhancement methods for RAG, facilitating effective engineering and implementation of RAG systems. Then from another view, we survey practical applications of RAG across different modalities and tasks, offering valuable references for researchers and practitioners. Furthermore, we introduce the benchmarks for RAG, discuss the limitations of current RAG systems, and suggest potential directions for future research.

Efficient training of large-scale heterogeneous graphs is of paramount importance in real-world applications. However, existing approaches typically explore simplified models to mitigate resource and time overhead, neglecting the crucial aspect of simplifying large-scale heterogeneous graphs from the data-centric perspective. Addressing this gap, HGCond introduces graph condensation (GC) in heterogeneous graphs and generates a small condensed graph for efficient model training. Despite its efficacy in graph generation, HGCond encounters two significant limitations. The first is low effectiveness, HGCond excessively relies on the simplest relay model for the condensation procedure, which restricts the ability to exert powerful Heterogeneous Graph Neural Networks (HGNNs) with flexible condensation ratio and limits the generalization ability. The second is low efficiency, HGCond follows the existing GC methods designed for homogeneous graphs and leverages the sophisticated optimization paradigm, resulting in a time-consuming condensing procedure. In light of these challenges, we present the first Training Free Heterogeneous Graph Condensation method, termed FreeHGC, facilitating both efficient and high-quality generation of heterogeneous condensed graphs. Specifically, we reformulate the heterogeneous graph condensation problem as a data selection issue, offering a new perspective for assessing and condensing representative nodes and edges in the heterogeneous graphs. By leveraging rich meta-paths, we introduce a new, highquality heterogeneous data selection criterion to select target-type nodes. Furthermore, two training-free condensation strategies for heterogeneous graphs are designed to condense and synthesize other-types nodes effectively. Extensive experiments demonstrate the effectiveness and efficiency of our proposed method. Besides, FreeHGC exhibits excellent generalization ability across various heterogeneous graph neural networks. Our codes are available at https://github.com/PKU-DAIR/FreeHGC.

Large language models (LLMs) have demonstrated exceptional performance across a wide range of tasks and domains, with data preparation playing a critical role in achieving these results. Pretraining data typically combines information from multiple domains. To maximize performance when integrating data from various domains, determining the optimal data distribution is essential. However, state-of-the-art (SOTA) LLMs rarely disclose details about their pretraining data, making it difficult for researchers to identify ideal data distributions. In this paper, we introduce a new approach, data distribution estimation, which enables the automatic estimation of pretraining data distributions by analyzing the generated outputs of LLMs. We provide rigorous theoretical proofs, practical algorithms, and preliminary experimental results for data distribution estimation. Based on these findings, we offer valuable insights into the challenges and future directions for effective data distribution estimation and data management. The source code, data, and other artifacts are available at https://github.com/yangyajie0625/data_detection

In recent years, foundation models, particularly large language models (LLMs), have demonstrated significant improvements across a variety of tasks. One of their most important features is long-context capability, which enables them to generate extended text with high semantic coherence, retrieving relevant information, and handling tasks with substantial amounts of text efficiently. The key to improving long-context performance lies in effective data organization and management strategies that integrate data from multiple domains and optimize the context window during training. Through extensive experimental analysis, we identified three key challenges in designing effective data management strategies that enable the model to achieve long-context capability without sacrificing performance in other tasks: (1) a shortage of long documents across multiple domains, (2) effective construction of context windows, and (3) efficient organization of large-scale datasets. To address these challenges, we introduce DataSculpt, a novel data management framework designed for long-context training. We first formulate the organization of training data as a multi-objective optimization problem, focusing on attributes including the relevance among documents within the same training sequence, the quantity of concatenated instances, individual document integrity, and computational cost. Specifically, our approach utilizes a coarse-to-fine method to optimize training data organization effectively. We begin by clustering the data based on semantic similarity (coarse), followed by a multi-objective greedy search within each cluster to score and concatenate documents into various context windows (fine). We have deployed DataSculpt as the data management backend for long-context training in Baichuan Inc. Extensive experiments with diverse downstream tasks show that DataSculpt enhances the model's long-context performance by an average of 15.73%, while maintaining the general capabilities with a 4.63% improvement.

In recent years, Graph Neural Networks (GNNs) have demonstrated remarkable capabilities in learning from graph-structured data. However, GNNs face challenges when dealing with imperfect graph structures, which often lead to performance degradation due to the underlying message propagation mechanism. In response to this issue, a class of data-centric techniques called Graph Structure Learning (GSL) has emerged, with a focus on improving the quality of graph structures. Our review of the existing GSL literature, combined with empirical studies, reveals two primary limitations: low scalability and low efficiency. To mitigate these limitations, we introduce Random Walk-based Graph Structure Learning (RWGSL), a new GSL method that utilizes random walk strategies and operates in a parameter-free manner. Extensive experiments demonstrate that Rwgsl consistently improves the classification performance of both vanilla GNNs and advanced GSL methods across various graph datasets, and Rwgsl can scale to extremely large graphs (e.g. Ogbn-Products) with acceptable time cost. In particular, the combination of Rwgsl and GCN significantly reduces the run time to approximately 5% of those observed in most GSL methods, while also achieving a superior classification accuracy. These findings validate the high scalability and robustness of Rwgsl.

In recent years, the rise of Large Language Models (LLMs) has spurred a growing demand for plug-and-play AI systems. Among the various AI techniques, prompt engineering stands out as particularly significant. However, users often face challenges in writing prompts due to the steep learning curve and significant time investment, and existing automatic prompt engineering (APE) models can be difficult to use. To address this issue, we propose PAS, an LLM-based plug-and-play APE system. PAS utilizes LLMs trained on high-quality, automatically generated prompt augmentation datasets, resulting in exceptional performance. In comprehensive benchmarks, PAS achieves state-of-the-art (SOTA) results compared to previous APE models, with an average improvement of 6.09 points. Moreover, PAS is highly efficient, achieving SOTA performance with only 9000 data points. Additionally, PAS can autonomously generate prompt augmentation data without requiring additional human labor. Its flexibility also allows it to be compatible with all existing LLMs and applicable to a wide range of tasks. Moreover, we deployed PAS for Baichuan online model, and then tested PAS using internal human evaluations in Baichuan underscoring its strong performance. This combination of high performance, efficiency, and flexibility makes PAS a valuable system for enhancing the usability and effectiveness of LLMs through automatic prompt engineering. The codebase is available at https://github.com/PKU-Baichuan-MLSystemLab/PAS.

Graph Neural Networks (GNNs) are widely used in various applications and consist of two main operations: Propagation and Transformation. By permuting and combining these two operations, we can obtain different GNN architectures for different downstream tasks. Despite the effectiveness and popularity of GNNs, their training is time-consuming and memory-intensive, which limits their practical usage. Various methods have been proposed to tackle this issue, such as sampling and distributed training. In this work, we carefully revisit the two basic operations of GNNs and observe two types of redundancy in these operations: 1) propagation data redundancy, and 2) transformation computation redundancy. To address these problems, we propose CompressGNN, a framework that leverages hierarchical compression to accelerate GNNs by reducing data and computational redundancy. The framework comprises a propagation compression module and a transformation compression module. In the propagation compression module, we compress the graph structure to eliminate data redundancy. In the transformation compression module, we achieve computation compression by compressing similar node features at runtime. Extensive experiments demonstrate that our method achieves an average speedup of 2.32× across multiple datasets and models.

With the increasing computation of training graph neural networks (GNNs) on large-scale graphs, graph condensation (GC) has emerged as a promising solution to synthesize compact, substitute graphs of the large-scale original graphs for efficient GNN training. However, these condensed graphs are specifically designed for the node classification task, significantly limiting the versatility of the synthesized data across various downstream tasks. This limitation predominantly stems from the reliance of existing GC methods on classification as the surrogate task for optimization, which leads to an excessive dependence on node labels and restricts their utility in label-scarcity scenarios. More critically, this surrogate task tends to overfit class-specific information within the condensed graph, consequently restricting the generalization capabilities of GC for other downstream tasks. To address these challenges, we introduce Contrastive Graph Condensation (CTGC), which adopts a self-supervised surrogate task to extract critical, causal information from the original graph and enhance the cross-task generalizability of the condensed graph. Specifically, CTGC employs a dual-branch framework to disentangle the generation of the node attributes and graph structures, where a dedicated structural branch is designed to explicitly encode geometric information through nodes' positional embeddings. By implementing an alternating optimization scheme with contrastive loss terms, CTGC promotes the mutual enhancement of both branches and facilitates high-quality graph generation through the model inversion technique. Extensive experiments demonstrate that CTGC excels in handling various downstream tasks with a limited number of labels, consistently outperforming state-of-the-art GC methods.

Recent advances in Retrieval-Augmented Generation (RAG) have significantly improved response accuracy and relevance by incorporating external knowledge into Large Language Models (LLMs). However, existing RAG methods primarily focus on generating text-only answers, even in Multimodal Retrieval-Augmented Generation (MRAG) scenarios, where multimodal elements are retrieved to assist in generating text answers. To address this, we introduce the Multimodal Retrieval-Augmented Multimodal Generation (MRAMG) task, in which we aim to generate multimodal answers that combine both text and images, fully leveraging the multimodal data within a corpus. Despite growing attention to this challenging task, a notable lack of a comprehensive benchmark persists for effectively evaluating its performance. To bridge this gap, we provide MRAMG-Bench, a meticulously curated, human-annotated benchmark comprising 4,346 documents, 14,190 images, and 4,800 QA pairs, distributed across six distinct datasets and spanning three domains: Web, Academia, and Lifestyle. The datasets incorporate diverse difficulty levels and complex multi-image scenarios, providing a robust foundation for evaluating the MRAMG task. To facilitate rigorous evaluation, MRAMG-Bench incorporates a comprehensive suite of both statistical and LLM-based metrics, enabling a thorough analysis of the performance of generative models in the MRAMG task. Additionally, we propose an efficient and flexible multimodal answer generation framework that can leverage LLMs/MLLMs to generate multimodal responses. Our datasets and complete evaluation results for 11 popular generative models are available at https://github.com/MRAMG-Bench/MRAMG.

The increasing prevalence of large-scale graphs poses a significant challenge for graph neural network training, attributed to their substantial computational requirements. In response, graph condensation (GC) emerges as a promising data-centric solution aiming to substitute the large graph with a small yet informative condensed graph to facilitate data-efficient GNN training. However, existing GC methods suffer from intricate optimization processes, necessitating excessive computing resources and training time. In this paper, we revisit existing GC optimization strategies and identify two pervasive issues therein: (1) various GC optimization strategies converge to coarse-grained class-level node feature matching between the original and condensed graphs; (2) existing GC methods rely on a Siamese graph network architecture that requires time-consuming bi-level optimization with iterative gradient computations. To overcome these issues, we propose a training-free GC framework termed Class-partitioned Graph Condensation (CGC), which refines the node distribution matching from the class-to-class paradigm into a novel class-to-node paradigm, transforming the GC optimization into a class partition problem which can be efficiently solved by any clustering methods. Moreover, CGC incorporates a pre-defined graph structure to enable a closed-form solution for condensed node features, eliminating the need for back-and-forth gradient descent in existing GC approaches. Extensive experiments demonstrate that CGC achieves an exceedingly efficient condensation process with advanced accuracy. Compared with the state-of-the-art GC methods, CGC condenses the Ogbn-products graph within 30 seconds, achieving a speedup ranging from 102 × to 104 × and increasing accuracy by up to 4.2%.

The rapid spread of rumors on social media has posed significant challenges to maintaining public trust and information integrity.Since an information cascade process is essentially a propagation tree, recent rumor detection models leverage graph neural networks to additionally capture information propagation patterns, thus outperforming text-only solutions.Given the variations in topics and social impact of the root node, different source information naturally has distinct outreach capabilities, resulting in different heights of propagation trees.This variation, however, impedes the data-driven design of existing graph-based rumor detectors.Given a shallow propagation tree with limited interactions, it is unlikely for graph-based approaches to capture sufficient cascading patterns, questioning their ability to handle less popular news or early detection needs.In contrast, a deep propagation tree is prone to noisy user responses, and this can in turn obfuscate the predictions.In this paper, we propose a novel Epidemiology-informed Network (EIN) that integrates epidemiological knowledge to enhance performance by overcoming data-driven methods' sensitivity to data quality.Meanwhile, to adapt epidemiology theory to rumor detection, it is expected that each user's stance toward the source information will be annotated.To bypass the costly and time-consuming human labeling process, we take advantage of large language models to generate stance labels, facilitating optimization objectives for learning epidemiology-informed representations.Our experimental results demonstrate that the proposed EIN not only outperforms state-of-the-art methods on real-world datasets but also exhibits enhanced robustness across varying tree depths.We release the code at https://github.com/WeiJiang01/EIN.

With the proliferation of Large Language Models (LLMs) in Business Intelligence (BI), existing solutions face critical challenges in industrial deployments: functionality deficiencies from legacy systems failing to meet evolving LLM-era user demands, interaction limitations from single-round SQL generation paradigms inadequate for multi-round clarification, and cost for domain adaptation arising from cross-domain methods migration. We present SiriusBI, a practical LLM-powered BI system addressing the challenges of industrial deployments through three key innovations: (a) An end-to-end architecture integrating multi-module coordination to overcome functionality gaps in legacy systems; (b) A multi-round dialogue with querying mechanism, consisting of semantic completion, knowledge-guided clarification, and proactive querying processes, to resolve interaction constraints in SQL generation; (c) A data-conditioned SQL generation method selection strategy that supports both an efficient one-step Fine-Tuning approach and a two-step method leveraging Semantic Intermediate Representation for low-cost cross-domain applications. Experiments on both real-world datasets and public benchmarks demonstrate the effectiveness of SiriusBI. User studies further confirm that SiriusBI enhances both productivity and user experience. As an independent service on Tencent's data platform, SiriusBI is deployed across finance, advertising, and cloud sectors, serving dozens of enterprise clients. It achieves over 93% accuracy in SQL generation and reduces data analysts' query time from minutes to seconds in real-world applications.

Federated graph learning (FGL) is a promising distributed training paradigm for graph neural networks across multiple local systems without direct data sharing. This approach inherently involves large-scale distributed graph processing, which closely aligns with the challenges and research focuses of graph-based data systems. Despite the proliferation of FGL, the diverse motivations from real-world applications, spanning various research backgrounds and settings, pose a significant challenge to fair evaluation. To fill this gap, we propose OpenFGL, a unified benchmark designed for the primary FGL scenarios: Graph-FL and Subgraph-FL. Specifically, OpenFGL includes 42 graph datasets from 18 application domains, 8 federated data simulation strategies that emphasize different graph properties, and 5 graph-based downstream tasks. Additionally, it offers 18 recently proposed SOTA FGL algorithms through a user-friendly API, enabling a thorough comparison and comprehensive evaluation of their effectiveness, robustness, and efficiency. Our empirical results demonstrate the capabilities of FGL while also highlighting its potential limitations, providing valuable insights for future research in this growing field, particularly in fostering greater interdisciplinary collaboration between FGL and data systems.

The increasing prevalence of large-scale graphs presents a significant challenge for graph neural networks (GNNs) training due to their computational demands, limiting the applicability of GNNs in various scenarios. In response to this challenge, graph condensation (GC) is proposed as a promising acceleration solution, focusing on generating an informative compact graph that enables efficient training of GNNs while retaining performance. Despite the potential to accelerate GNN training, existing GC methods overlook the quality of large training graphs during both the training and inference stages. They indiscriminately emulate the training graph distributions, making the condensed graphs susceptible to noises within the training graph and significantly impeding the application of GC in intricate real-world scenarios. To address this issue, we propose robust graph condensation (RobGC), a plug-and-play approach for GC to extend the robustness and applicability of condensed graphs in noisy graph structure environments. Specifically, RobGC leverages the condensed graph as a feedback signal to guide the denoising process on the original training graph. A label propagation-based alternating optimization strategy is in place for the condensation and denoising processes, contributing to the mutual purification of the condensed graph and training graph. Additionally, as a GC method designed for inductive graph inference, RobGC facilitates test-time graph denoising by leveraging the noise-free condensed graph to calibrate the structure of the test graph. Extensive experiments show that RobGC is compatible with various GC methods, significantly boosting their robustness.

The rapid growth of graph data poses significant challenges in storage, transmission, and particularly the training of graph neural networks (GNNs). To address these challenges, graph condensation (GC) has emerged as an innovative solution. GC focuses on synthesizing a compact yet highly representative graph, enabling GNNs trained on it to achieve performance comparable to those trained on the original large graph. The notable efficacy of GC and its broad prospects have garnered significant attention and spurred extensive research. This survey paper provides an up-to-date and systematic overview of GC, organizing existing research into five categories aligned with critical GC evaluation criteria: effectiveness, generalization, efficiency, fairness, and robustness. To facilitate an in-depth and comprehensive understanding of GC, this paper examines various methods under each category and thoroughly discusses two essential components within GC: optimization strategies and condensed graph generation. We also empirically compare and analyze representative GC methods with diverse optimization strategies based on the five proposed GC evaluation criteria. Finally, we explore the applications of GC in various fields, outline the related open-source libraries, and highlight the present challenges and novel insights, with the aim of promoting advancements in future research.

Graph Neural Networks have demonstrated remarkable effectiveness in various graph-based tasks, but their inefficiency in training and inference poses significant challenges for scaling to real-world, large-scale applications. To address these challenges, a plethora of algorithms have been developed to accelerate GNN training and inference, garnering substantial interest from the research community. This paper presents a systematic review of these acceleration algorithms, categorizing them into three main topics: training acceleration, inference acceleration, and execution acceleration. For training acceleration, we discuss techniques like graph sampling and GNN simplification. In inference acceleration, we focus on knowledge distillation, GNN quantization, and GNN pruning. For execution acceleration, we explore GNN binarization and graph condensation. Additionally, we review several libraries related to GNN acceleration, including our Scalable Graph Learning library, and propose future research directions.

Urban flow prediction is a spatio-temporal modelling task that estimates the throughput of transportation services like buses, taxis, and ride-sharing, where data-driven models have become the most popular solution in the past decade. Meanwhile, the implicitly learned mapping between historical observations to the prediction targets tend to over-simplify the dynamics of real-world urban flows, leading to suboptimal predictions. Some recent spatio-temporal prediction solutions bring remedies with the notion of physics-guided machine learning (PGML), which describes spatio-temporal data with nuanced and principled physics laws, thus enhancing both the prediction accuracy and interpretability. However, these spatio-temporal PGML methods are built upon a strong assumption that the observed data fully conforms to the differential equations that define the physical system, which can quickly become ill-posed in urban flow prediction tasks. The observed urban flow data, especially when sliced into time-dependent snapshots to facilitate predictions, is typically incomplete and sparse, and prone to inherent noise incurred in the collection process (e.g., uncalibrated traffic sensors). As a result, such physical inconsistency between the data and PGML model significantly limits the predictive power and robustness of the solution. Moreover, due to the interval-based predictions and intermittent nature of data filing (e.g., one record per 30 minutes) in many transportation services, the instantaneous dynamics of urban flows can hardly be captured, rendering differential equation-based continuous modelling a loose fit for this setting. To overcome the challenges, we develop a discretized physics-guided network (PN), and propose a data-aware framework Physics-guided Active Sample Reweighting (P-GASR) to enhance PN. Technically, P-GASR incorporates an active sample reweighting pipeline, which not only minimizes the model uncertainty of PN to enhance robustness, but also prioritizes data samples that exhibit higher physical compliance to reinforce their contribution to PN training. Experimental results in four real-world datasets demonstrate that our method achieves state-of-the-art performance with a demonstrable improvement in robustness. The code is released at https://github.com/WeiJiang01/P-GASR.

Graph neural networks (GNNs) encounter significant computational challenges when handling large-scale graphs, which severely restricts their efficacy across diverse applications. To address this limitation, graph condensation has emerged as a promising technique, which constructs a small synthetic graph for efficiently training GNNs while retaining performance. However, due to the topology structure among nodes, graph condensation is limited to condensing only the observed training nodes and their corresponding structure, thus lacking the ability to effectively handle the unseen data. Consequently, the original large graph is still required in the inference stage to perform message passing to inductive nodes, resulting in substantial computational demands. To overcome this issue, we propose mapping-aware graph condensation (MCond), explicitly learning the one-to-many node mapping from original nodes to synthetic nodes to seamlessly integrate new nodes into the synthetic graph for inductive representation learning. This enables direct information propagation on the synthetic graph, which is much more efficient than on the original large graph. Specifically, MCond employs an alternating optimization scheme with innovative loss terms from transductive and inductive perspectives, facilitating the mutual promotion between graph condensation and node mapping learning. Extensive experiments demonstrate the efficacy of our approach in inductive inference. On the Reddit dataset, MCond achieves up to 121.5× inference speedup and 55.9× reduction in storage requirements compared with counterparts based on the original graph.

Graph neural networks (GNNs) have exhibited exceptional efficacy in a diverse array of applications. However, the sheer size of large-scale graphs presents a significant challenge to real-time inference with GNNs. Although existing Scalable GNNs leverage linear propagation to preprocess the features and accelerate the training and inference procedure, these methods still suffer from scalability issues when making inferences on unseen nodes, as the feature preprocessing requires the graph to be known and fixed. To further accelerate Scalable GNNs inference in this inductive setting, we propose an online propagation framework and two novel node-adaptive propagation methods that can customize the optimal propagation depth for each node based on its topological information and thereby avoid redundant feature propagation. The trade-off between accuracy and latency can be flexibly managed through simple hyper-parameters to accommodate various latency constraints. Moreover, to compensate for the inference accuracy loss caused by the potential early termination of propagation, we further propose Inception Distillation to exploit the multi-scale receptive field information within graphs. The rigorous and comprehensive experimental study on public datasets with varying scales and characteristics demonstrates that the proposed inference acceleration framework outperforms existing state-of-the-art graph inference acceleration methods in terms of accuracy and efficiency. Particularly, the superiority of our approach is notable on datasets with larger scales, yielding a$75\times$inference speedup on the largest Ogbn-products dataset.

Recently, Federated Graph Learning (FGL) has attracted significant attention as a distributed framework based on graph neural networks, primarily due to its capability to break data silos. Existing FGL studies employ community split on the homophilous global graph by default to simulate federated semisupervised node classification settings. Such a strategy assumes the consistency of topology between the multi-client subgraphs and the global graph, where connected nodes are highly likely to possess similar feature distributions and the same label. However, in real-world implementations, the varying perspectives of local data engineering result in various subgraph topologies, posing unique heterogeneity challenges in FGL. Unlike the well-known label Non-independent identical distribution (Non-iid) problems in federated learning, FGL heterogeneity essentially reveals the topological divergence among multiple clients, namely homophily or heterophily. To simulate and handle this unique challenge, we introduce the concept of structure Non-iid split and then present a new paradigm called Adaptive Federated Graph Learning (AdaFGL), a decoupled two-step personalized approach. To begin with, AdaFGL employs standard multi-client federated collaborative training to acquire the federated knowledge extractor by aggregating uploaded models in the final round at the server. Then, each client conducts personalized training based on the local subgraph and the federated knowledge extractor. Extensive experiments on the 12 graph benchmark datasets validate the superior performance of AdaFGL over state-of-the-art baselines. Specifically, in terms of test accuracy, our proposed AdaFGL outperforms baselines by significant margins of 3.24 % and 5.57 % on community split and structure Non-iid split, respectively.

Heterogeneous graphs contain rich semantic information that can be exploited by heterogeneous graph neural networks (HGNNs). However, scaling HGNNs to large graphs is challenging due to the high computational cost. Existing non-parametric HGNNs use general subgraphs construction method and mean aggregator before training to reduce the complexity. Despite their success, they ignore two key characteristics of heterogeneous graphs, leading to low predictive performance. First, they adopt fixed local and global knowledge extractor for the feature aggregation and the semantic fusion. Besides, they bury the graph structure information of the higher-order meta-paths and fail to explore deeper graph structure information. In this paper, we address these two limitations and propose a new non-parametric HGNN framework called Heterogeneous Graph Attention Multi-Layer Perceptron (HGAMLP). Our framework employs the local multi-knowledge extractor to enhance the node representation, and leverages the de-redundancy mechanism to extract the pure graph structure information from higher-order meta-paths. Besides, it adopts a node-adaptive weight adjustment mechanism as an efficiency training model to fuse global knowledge and local knowledge. We evaluate our framework on ten commonly used heterogeneous graph datasets and show that it outperforms the state-of-the-art baselines in both accuracy and speed. Notably, our framework achieves the best performance on the large public heterogeneous graph dataset (i.e., Ogbn-mag) of Open Graph Benchmark11https://ogb.stanford.edu/docs/leader_nodeprop.

Graph Neural Networks (GNNs) have emerged as an effective tool for graph classification, yet their reliance on extensive labeled data poses a significant challenge, especially when such labels are scarce. To address this challenge, this paper presents a novel framework, denoted as Multi-View Teacher with Curriculum Data Fusion (MTDF). MTDF achieves robust unsupervised domain adaptation in both the model and data perspectives. On the one hand, MTDF utilizes a multi-teacher framework with diverse update strategies for robust adaptation. Moreover, it employs a complementary perspective consistency model from local implicit representation and global explicit graph structure. On the other hand, MTDF generates source-mimicry data at the target domain to serve as a bridge to overcome the challenge of domain shift. MTDF achieves stable unsupervised domain adaptation through bi-directional processes from the perspective of both the model and the data. We have conducted comprehensive experimental evaluations across multiple real-world datasets with a range of baseline methods to demonstrate the superior performance of our proposed method.

For graph self-supervised learning (GSSL), masked autoencoder (MAE) follows the generative paradigm and learns to reconstruct masked graph edges or node features while contrastive learning (CL) maximizes the similarity between augmented views of the same graph. Existing works utilize MAE and CL separately but we observe that the MAE and CL paradigms are complementary and propose the graph contrastive masked autoencoder (GCMAE) framework to unify them. Specifically, by focusing on local edges or node features, MAE cannot capture global information of the graph and is sensitive to particular edges and features. On the contrary, CL excels in extracting global information because it considers the relation between graphs. As such, we equip GCMAE with an MAE branch and a CL branch, and the two branches share a common encoder, which allows the MAE branch to exploit the global information extracted by the CL branch. To force GCMAE to capture global graph structures, we train it to reconstruct the entire adjacency matrix instead of only the masked edges as in existing works. Moreover, a discrimination loss is proposed for feature reconstruction, which improves the disparity between node embeddings rather than reducing the reconstruction error to tackle the feature smoothing problem of MAE. We evaluate GCMAE on four popular graph tasks (i.e., node classification, node clustering, link prediction, and graph classification) and compare it with 14 state-of-the-art baselines. The results show that GCMAE consistently provides good accuracy across these tasks, and the maximum accuracy improvement is up to 3.2% compared with the best-performing baseline.

The imbalanced data classification problem has aroused lots of concerns from both academia and industry since data imbalance is a widespread phenomenon in many real-world scenarios. Although this problem has been well researched from the view of imbalanced class samples, we further argue that graph neural networks (GNNs) expose a unique source of imbalance from the influenced nodes of different classes of labeled nodes, i.e., labeled nodes are imbalanced in terms of the number of nodes they influenced during the influence propagation in GNNs. To tackle this previously unexplored influence-imbalance issue, we connect social influence maximization with the imbalanced node classification problem and propose balanced influence maximization (BIM). Specifically, BIM greedily assigns the pseudo label to the node which can maximize the number of influenced nodes in GNN training while making the influence of each class more balance. Experimental results on five public datasets demonstrate the effectiveness of our method in relieving the influence-imbalance issue. For example, when training a GCN with an imbalance ratio of 0.1, BIM significantly outperforms the most competitive baseline by 0.6% -9.8% in five public datasets in terms of the F1 score.

Graph Neural Networks (GNNs) have achieved great success in various data mining tasks but they heavily rely on a large number of annotated nodes, requiring considerable human efforts. Despite the effectiveness of existing GNN-based Active Learning (AL) methods, they assume that the annotated labels are always correct, which is contradictory to the error-prone labeling process in a practical crowdsourcing environment. Besides, due to this impractical assumption, existing works only focus on optimizing the node selection in AL but neglect optimizing the labeling process. Therefore, we present NC-ALG, the first GNN-based AL framework that optimizes both the node selection and node labeling process under a noisy crowd. For node selection, NC-ALG introduces a new measurement to model influence reliability and an effective influence maximization objective to select nodes. For node labeling, NC-ALG significantly reduces the labeling cost by considering the model-predicted labels and the labels of mirror nodes. To the best of our knowledge, this is the first attempt to consider GNN-based AL under the practical noisy crowd. Empirical studies on public datasets demonstrate that NC-ALG significantly outperforms existing methods in terms labeling efficiency. Notably, it only takes NC-ALG one-third of the labeling budget that the competitive baseline GRAIN needs to achieve an accuracy of 70.7 % on PubMed.

The burgeoning volume of graph data presents significant computational challenges in training graph neural networks (GNNs), critically impeding their efficiency in various applications. To tackle this challenge, graph condensation (GC) has emerged as a promising acceleration solution, focusing on the synthesis of a compact yet representative graph for efficiently training GNNs while retaining performance. Despite the potential to promote scalable use of GNNs, existing GC methods are limited to aligning the condensed graph with merely the observed static graph distribution. This limitation significantly restricts the generalization capacity of condensed graphs, particularly in adapting to dynamic distribution changes. In real-world scenarios, however, graphs are dynamic and constantly evolving, with new nodes and edges being continually integrated. Consequently, due to the limited generalization capacity of condensed graphs, applications that employ GC for efficient GNN training end up with sub-optimal GNNs when confronted with evolving graph structures and distributions in dynamic real-world situations. To overcome this issue, we propose open-world graph condensation (OpenGC), a robust GC framework that integrates structure-aware distribution shift to simulate evolving graph patterns and exploit the temporal environments for invariance condensation. This approach is designed to extract temporal invariant patterns from the original graph, thereby enhancing the generalization capabilities of the condensed graph and, subsequently, the GNNs trained on it. Furthermore, to support the periodic re-condensation and expedite condensed graph updating in life-long graph learning, OpenGC reconstructs the sophisticated optimization scheme with kernel ridge regression and non-parametric graph convolution, significantly accelerating the condensation process while ensuring the exact solutions. Extensive experiments on both real-world and synthetic evolving graphs demonstrate that OpenGC outperforms state-of-the-art (SOTA) GC methods in adapting to dynamic changes in open-world graph environments.

Multi-view Graph Learning is popular in recommendations due to its ability to capture relationships and connections across multiple views. Existing multi-view graph learning methods generally involve constructing graphs of views and performing information aggregation on view representations. Despite their effectiveness, they face two data limitations: Multi-focal Multi-source data noise and multi-source Data Sparsity. The former arises from the combination of noise from individual views and conflicting edges between views when information from all views is combined. The latter occurs because multi-view learning exacerbate the negative influence of data sparsity because these methods require more model parameters to learn more view information. Motivated by these issues, we propose MMGCL, a meta knowledge-enhanced multi-view graph contrastive learning framework for recommendations. To tackle the data noise issue, MMGCL extract meta knowledge to preserve important information from all views to form a meta view representation. It then rectifies every view in multi-learning frameworks, thus simultaneously removing the view-private noisy edges and conflicting edges across different views. To address the data sparsity issue, MMGCL performs meta knowledge transfer contrastive learning optimization on all views to reduce the searching space for model parameters and add more supervised signal. Besides, we have deployed MMGCL in a real industrial recommender system in China, and we further evaluate it on three benchmark datasets and a practical industry online application. Extensive experiments on these datasets demonstrate the state-of-the-art recommendation performance of MMGCL.

Scalable graph neural networks (GNNs) have emerged as a promising technique, which exhibits superior predictive performance and high running efficiency across numerous large-scale graph-based web applications. However, (i) Most scalable GNNs tend to treat all nodes with the same propagation rules, neglecting their topological uniqueness; (ii) Existing node-wise propagation optimization strategies are insufficient on web-scale graphs with intricate topology, where a full portrayal of nodes' local properties is required. Intuitively, different nodes in web-scale graphs possess distinct topological roles, and therefore propagating them indiscriminately or neglecting local contexts may compromise the quality of node representations. To address the above issues, we propose Adaptive Topology-aware Propagation (ATP), which reduces potential high-bias propagation and extracts structural patterns of each node in a scalable manner to improve running efficiency and predictive performance. Remarkably, ATP is crafted to be a plug-and-play node-wise propagation optimization strategy, allowing for offline execution independent of the graph learning process in a new perspective. Therefore, this approach can be seamlessly integrated into most scalable GNNs while remaining orthogonal to existing node-wise propagation optimization strategies. Extensive experiments on 12 datasets have demonstrated the effectiveness of ATP.

Most existing graph neural networks (GNNs) are limited to undirected graphs, whose restricted scope of the captured relational information hinders their expressive capabilities and deployment. Compared with undirected graphs, directed graphs (digraphs) fit the demand for modeling more complex topological systems by capturing more intricate relationships between nodes. While some directed GNNs have been introduced, their inspiration mainly comes from deep learning architectures, which lead to redundant complexity and computation, making them inapplicable to large-scale databases. To address these issues, we propose LightDiC, a scalable variant of the digraph convolution based on the magnetic Laplacian. Since topology-related computations are conducted solely during offline pre-processing, LightDiC achieves exceptional scalability, enabling downstream predictions to be trained separately without incurring recursive computational costs. Theoretical analysis shows that LightDiC achieves message passing based on the complex field, which corresponds to the proximal gradient descent process of the Dirichlet energy optimization function from the perspective of digraph signal denoising, ensuring its expressiveness. Experimental results demonstrate that LightDiC performs comparably well or even outperforms other SOTA methods in various downstream tasks, with fewer learnable parameters and higher efficiency.

Sampling-based Graph Neural Networks (GNNs) have become the de facto standard for handling various graph learning tasks on large-scale graphs. As the graph size grows larger and even exceeds the standard host memory size of a single machine, out-of-core sampling-based GNN training has gained attention from the community. For out-of-core sampling-based GNN training, the performance bottleneck is the data preparation process that includes sampling neighbor lists and gathering node features from external storage. Based on this observation, existing out-of-core GNN training frameworks try to accomplish larger percentages of data requests without inquiring the external storage by designing better in-memory caches. However, the enormous overall requested data volume is unchanged under this approach. In this paper, we present a new perspective on reducing the overall requested data volume. Through a quantitative analysis, we find that Neighborhood Redundancy and Temporal Redundancy exist in out-of-core sampling-based GNN training. To reduce these two kinds of data redundancies, we propose OUTRE, an OUT-of-core de-REdundancy GNN training framework. OUTRE incorporates two new designs, partition-based batch construction and historical embedding cache , to reduce the corresponding data redundancies. Moreover, we propose automatic cache space management to automatically organize available memory for different caches. Evaluation results on four public large-scale graph datasets show that OUTRE achieves 1.52× to 3.51× speedup against the SOTA framework.

Graph generation is a fundamental task in machine learning with broad impacts on numerous real-world applications such as biomedical discovery and social science. Most recently, generative models, especially diffusion models (DMs), have shown great promise in synthesizing realistic graphs. However, existing DMs methods typically conduct diffusion processes directly in complex graph space (i.e., node feature, adjacency matrix, or both), resulting in high modeling complexity and poor multimodal distribution coverage. In this paper, we propose Graphusion, a novel and unified latent-based graph generative framework to address the problems. Specifically, Graphusion is composed of a variational graph autoencoder mapping raw graphs with high-dimensional discrete space to low-dimensional topology-injected latent space, and latent DMs running there, producing a smoother, faster, and more expressive graph generation procedure. Thanks to the latest space modeling, we further develop principled latent self-guidance to sufficiently cover the whole semantical distribution of the unlabeled graph set. Experiments show that our Graphusion framework can consistently outperform previous graph generation baselines on both generic and molecular graph datasets, demonstrating the generality and extensibility along with further analytical justifications.

Out-of-distribution (OOD) graph generalization are critical for many real-world applications. Existing methods neglect to discard spurious or noisy features of inputs, which are irrelevant to the label. Besides, they mainly conduct instance-level class-invariant graph learning and fail to utilize the structural class relationships between graph instances. In this work, we endeavor to address these issues in a unified framework, dubbedIndividual andStructuralGraphInformationBottlenecks (IS-GIB). To remove class spurious feature caused by distribution shifts, we propose Individual Graph Information Bottleneck (I-GIB) which discards irrelevant information by minimizing the mutual information between the input graph and its embeddings. To leverage the structural intra- and inter-domain correlations, we propose Structural Graph Information Bottleneck (S-GIB). Specifically for a batch of graphs with multiple domains, S-GIB first computes the pair-wise input-input, embedding-embedding, and label-label correlations. Then it minimizes the mutual information between input graph and embedding pairs while maximizing the mutual information between embedding and label pairs. The critical insight of S-GIB is to simultaneously discard spurious features and learn invariant features from a high-order perspective by maintaining class relationships under multiple distributional shifts. Notably, we unify the proposed I-GIB and S-GIB to form our complementary framework IS-GIB. Extensive experiments conducted on both node- and graph-level tasks consistently demonstrate the superior generalization ability of IS-GIB. The code is available athttps://github.com/YangLing0818/GraphOOD.

Maximal biclique enumeration is a fundamental problem in bipartite graph data analysis. Existing biclique enumeration methods mainly focus on non-attributed bipartite graphs and also ignore the fairness of graph attributes. In this paper, we introduce the concept of fairness into the biclique model for the first time and study the problem of fairness-aware biclique enumeration. Specifically, we propose two fairness-aware biclique models, called single-side fair biclique and bi-side fair biclique respectively. To efficiently enumerate all single-side fair bicliques, we first present two non-trivial pruning techniques, called fair α-β core pruning and colorful fair α-β core pruning, to reduce the graph size without losing accuracy. Then, we develop a branch and bound algorithm, called FairBCEM, to enumerate all single-side fair bicliques on the reduced bipartite graph. To further improve the efficiency, we propose an efficient branch and bound algorithm with a carefully-designed combinatorial enumeration technique. Note that all of our techniques can also be extended to enumerate all bi-side fair bicliques. We also extend the two fairness-aware biclique models by constraining the ratio of the number of vertices of each attribute to the total number of vertices and present corresponding enumeration algorithms. Extensive experimental results on five large real-world datasets demonstrate our methods’ efficiency, effectiveness, and scalability.

Distributed data analytic engines like Spark are common choices to process massive data in industry. However, the performance of Spark SQL highly depends on the choice of configurations, where the optimal ones vary with the executed workloads. Among various alternatives for Spark SQL tuning, Bayesian optimization (BO) is a popular framework that finds near-optimal configurations given sufficient budget, but it suffers from the re-optimization issue and is not practical in real production. When applying transfer learning to accelerate the tuning process, we notice two domain-specific challenges: 1) most previous work focus on transferring tuning history, while expert knowledge from Spark engineers is of great potential to improve the tuning performance but is not well studied so far; 2) history tasks should be carefully utilized, where using dissimilar ones lead to a deteriorated performance in production.

Generating data perturbations to graphs has become a useful tool for analyzing the robustness of Graph Neural Networks (GNNs). However, existing model-driven methodologies can be prohibitively expensive to apply in large graphs, which hinders the understanding of GNN robustness at scale. In this paper, we present Scapin, a data-driven methodology that opens up a new perspective by connecting graph structure perturbation for GNNs with augmented influence maximization-to either facilitate desirable spreads or curtail undesirable ones by adding or deleting a small set of edges. This connection not only allows us to perform data perturbation on GNNs with computation scalability but also provides nice interpretations. To transform such connections into efficient perturbation approaches for the new GNN setting, Scapin introduces a novel edge influence model, decomposed influence maximization objectives, and a principled algorithm for edge addition by exploiting submodularity of the objectives. Empirical studies demonstrate that Scapin can give orders of magnitude improvement over state-of-art methods in terms of runtime and memory efficiency, with comparable or even better performance.

The distributed data analytic system - Spark is a common choice for processing massive volumes of heterogeneous data, while it is challenging to tune its parameters to achieve high performance. Recent studies try to employ auto-tuning techniques to solve this problem but suffer from three issues: limited functionality, high overhead, and inefficient search. In this paper, we present a general and efficient Spark tuning framework that can deal with the three issues simultaneously. First, we introduce a generalized tuning formulation, which can support multiple tuning goals and constraints conveniently, and a Bayesian optimization (BO) based solution to solve this generalized optimization problem. Second, to avoid high overhead from additional offline evaluations in existing methods, we propose to tune parameters along with the actual periodic executions of each job (i.e., online evaluations). To ensure safety during online job executions, we design a safe configuration acquisition method that models the safe region. Finally, three innovative techniques are leveraged to further accelerate the search process: adaptive sub-space generation, approximate gradient descent, and meta-learning method. We have implemented this framework as an independent cloud service, and applied it to the data platform in Tencent. The empirical results on both public benchmarks and large-scale production tasks demonstrate its superiority in terms of practicality, generality, and efficiency. Notably, this service saves an average of 57.00% memory cost and 34.93% CPU cost on 25K in-production tasks within 20 iterations, respectively.

Federated Graph Learning (FGL) is a distributed machine learning paradigm that enables collaborative training on large-scale subgraphs across multiple local systems. Existing FGL studies fall into two categories: (i) FGL Optimization, which improves multi-client training in existing machine learning models; (ii) FGL Model, which enhances performance with complex local models and multi-client interactions. However, most FGL optimization strategies are designed specifically for the computer vision domain and ignore graph structure, presenting dissatisfied performance and slow convergence. Meanwhile, complex local model architectures in FGL Models studies lack scalability for handling large-scale subgraphs and have deployment limitations. To address these issues, we propose Federated Graph Topology-aware Aggregation (FedGTA), a personalized optimization strategy that optimizes through topology-aware local smoothing confidence and mixed neighbor features. During experiments, we deploy FedGTA in 12 multi-scale real-world datasets with the Louvain and Metis split. This allows us to evaluate the performance and robustness of FedGTA across a range of scenarios. Extensive experiments demonstrate that FedGTA achieves state-of-the-art performance while exhibiting high scalability and efficiency. The experiment includes ogbn-papers100M, the most representative large-scale graph database so that we can verify the applicability of our method to large-scale graph learning. To the best of our knowledge, our study is the first to bridge large-scale graph learning with FGL using this optimization strategy, contributing to the development of efficient and scalable FGL methods.

Graph convolutional networks (GCNs) have been successfully applied in many different real-world tasks. However, most of the existing methods are based on shallow GCN, because multiple layers involve long-distance neighborhood information but lead to the over-smoothing problem. Actually, a similar challenge exists in the depth limitation for primitive convolutional neural networks (CNNs). As the multi-layer architecture can increase the representation ability of GCN, we study and learn from the recent progress in CNN and propose Lasagne, a novel multi-layer GCN framework, empowered by node-aware layer aggregators and factorization-based layer interactions to overcome the over-smoothing problem and realize the full potentials of the GCN model. We analyze how the node locality affects the information propagation in GCN and propose a novel node aggregation mechanism in an adaptive manner. We further demystify Lasagne from a mutual information view and evaluate it on both real-world benchmark data sets and large-scale industrial production data sets. Lasagne shows strong empirical performance on the semi-supervised node classification task and outperforms the state-of-the-art methods without considering the node locality.

We introduce Zoomer, a system deployed at Taobao, the largest e-commerce platform in China, for training and serving GNN-based recommendations over web-scale graphs. Zoomer is designed for tackling two challenges presented by the massive user data at Taobao: low training/serving efficiency due to the huge scale of the graphs, and low recommendation quality due to the information overload which distracts the recommendation model from specific user intentions. Zoomer achieves this by introducing a key concept, Region of Interests (ROI) in GNNs for recommendations, i.e., a neighborhood region in the graph with significant relevance to a strong user intention. Zoomer narrows the focus from the whole graph and “zooms in” on the more relevant ROIs, thereby reducing the training/serving cost and mitigating the information overload at the same time. With carefully designed mechanisms, Zoomer identifies the interest expressed by each recommendation request, constructs an ROI subgraph by sampling with respect to the interest, and guides the GNN to reweigh different parts of the ROI towards the interest by a multi-level attention module. Deployed as a large-scale distributed system, Zoomer supports graphs with billions of nodes for training and thousands of requests per second for serving. Zoomer achieves up to 14x speedup when downsizing sampling scales with comparable (even better) AUC performance than baseline methods. Besides, both the offline evaluation and online A/B test demonstrate the effectiveness of Zoomer.

In this paper, we propose Lasagne, a novel multi-layer graph convolutional network (GCN) framework to over-come the over-smoothing problem and realize the full poten-tials of deep GCNs. We analyze how node localities affect the information propagation in GCN, propose an adaptive novel node aggregation mechanism and further demystify from a mutual information view. Evaluation results on both real-world benchmark data sets and large-scale industrial production data sets show Lasagne significantly outperforms the state-of- the-art methods without considering the node locality.

The tuning of hyperparameters becomes increasingly important as machine learning (ML) models have been extensively applied in data mining applications. Among various approaches, Bayesian optimization (BO) is a successful methodology to tune hyperparameters automatically. While traditional methods optimize each tuning task in isolation, there has been recent interest in speeding up BO by transferring knowledge across previous tasks. In this work, we introduce an automatic method to design the BO search space with the aid of tuning history from past tasks. This simple yet effective approach can be used to endow many existing BO methods with transfer learning capabilities. In addition, it enjoys the three advantages: universality, generality, and safeness. The extensive experiments show that our approach considerably boosts BO by designing a promising and compact search space instead of using the entire space, and outperforms the state-of-the-arts on a wide range of benchmarks, including machine learning and deep learning tuning tasks, and neural architecture search.

With the extensive applications of machine learning models, automatic hyperparameter optimization (HPO) has become increasingly important. Motivated by the tuning behaviors of human experts, it is intuitive to leverage auxiliary knowledge from past HPO tasks to accelerate the current HPO task. In this paper, we propose TransBO, a novel two-phase transfer learning framework for HPO, which can deal with the complementary nature among source tasks and dynamics during knowledge aggregation issues simultaneously. This framework extracts and aggregates source and target knowledge jointly and adaptively, where the weights can be learned in a principled manner. The extensive experiments, including static and dynamic transfer learning settings and neural architecture search, demonstrate the superiority of TransBO over the state-of-the-arts.

Graph Neural Networks (GNNs) have achieved great success in various graph mining tasks. However, drastic performance degradation is always observed when a GNN is stacked with many layers. As a result, most GNNs only have shallow architectures, which limits their expressive power and exploitation of deep neighborhoods. Most recent studies attribute the performance degradation of deep GNNs to the over-smoothing issue. In this paper, we disentangle the conventional graph convolution operation into two independent operations: Propagation (P) and Transformation (T). Following this, the depth of a GNN can be split into the propagation depth (Dp) and the transformation depth (Dt). Through extensive experiments, we find that the major cause for the performance degradation of deep GNNs is the model degradation issue caused by large Dt rather than the over-smoothing issue mainly caused by large Dp. Further, we present Adaptive Initial Residual (AIR), a plug-and-play module compatible with all kinds of GNN architectures, to alleviate the model degradation issue and the over-smoothing issue simultaneously. Experimental results on six real-world datasets demonstrate that GNNs equipped with AIR outperform most GNNs with shallow architectures owing to the benefits of both large DD_p$ and Dt, while the time costs associated with AIR can be ignored.

Graph neural networks (GNNs) have achieved great success in many graph-based applications. However, the enormous size and high sparsity level of graphs hinder their applications under industrial scenarios. Although some scalable GNNs are proposed for large-scale graphs, they adopt a fixed K-hop neighborhood for each node, thus facing the over-smoothing issue when adopting large propagation depths for nodes within sparse regions. To tackle the above issue, we propose a new GNN architecture --- Graph Attention Multi-Layer Perceptron (GAMLP), which can capture the underlying correlations between different scales of graph knowledge. We have deployed GAMLP in Tencent with the Angel platform, and we further evaluate GAMLP on both real-world datasets and large-scale industrial datasets. Extensive experiments on these 14 graph datasets demonstrate that GAMLP achieves state-of-the-art performance while enjoying high scalability and efficiency. Specifically, it outperforms GAT by 1.3% regarding predictive accuracy on our large-scale Tencent Video dataset while achieving up to 50x training speedup. Besides, it ranks top-1 on both the leaderboards of the largest homogeneous and heterogeneous graph (i.e., ogbn-papers100M and ogbn-mag) of Open Graph Benchmark.

Graph neural networks (GNNs) have achieved state-of-the-art performance in various graph-based tasks. However, as mainstream GNNs are designed based on the neural message passing mechanism, they do not scale well to data size and message passing steps. Although there has been an emerging interest in the design of scalable GNNs, current researches focus on specific GNN design, rather than the general design space, limiting the discovery of potential scalable GNN models. This paper proposes PaSca, a new paradigm and system that offers a principled approach to systemically construct and explore the design space for scalable GNNs, rather than studying individual designs. Through deconstructing the message passing mechanism, PaSca presents a novel Scalable Graph Neural Architecture Paradigm (SGAP), together with a general architecture design space consisting of 150k different designs. Following the paradigm, we implement an auto-search engine that can automatically search well-performing and scalable GNN architectures to balance the trade-off between multiple criteria (e.g., accuracy and efficiency) via multi-objective optimization. Empirical studies on ten benchmark datasets demonstrate that the representative instances (i.e., PaSca-V1, V2, and V3) discovered by our system achieve consistent performance among competitive baselines. Concretely, PaSca-V3 outperforms the state-of-the-art GNN method JK-Net by 0.4% in terms of predictive accuracy on our large industry dataset while achieving up to 28.3 × training speedups.

The ever-growing demand and complexity of machine learning are putting pressure on hyper-parameter tuning systems: while the evaluation cost of models continues to increase, the scalability of state-of-the-arts starts to become a crucial bottleneck. In this paper, inspired by our experience when deploying hyper-parameter tuning in a real-world application in production and the limitations of existing systems, we propose Hyper-Tune, an efficient and robust distributed hyper-parameter tuning framework. Compared with existing systems, Hyper-Tune highlights multiple system optimizations, including (1) automatic resource allocation, (2) asynchronous scheduling, and (3) multi-fidelity optimizer. We conduct extensive evaluations on benchmark datasets and a large-scale real-world dataset in production. Empirically, with the aid of these optimizations, Hyper-Tune outperforms competitive hyper-parameter tuning systems on a wide range of scenarios, including XGBoost, CNN, RNN, and some architectural hyper-parameters for neural networks. Compared with the state-of-the-art BOHB and A-BOHB, Hyper-Tune achieves up to 11.2X and 5.1X speedups, respectively.

Predicting urban traffic is of great importance to intelligent transportation systems and public safety, yet is very challenging in three aspects: 1) complex spatio-temporal correlations of urban traffic, including spatial correlations between locations along with temporal correlations among timestamps; 2) spatial diversity of such spatio-temporal correlations, which varies from location to location and depends on the surrounding geographical information, e.g., points of interests and road networks; and 3) temporal diversity of such spatio-temporal correlations, which is highly influenced by dynamic traffic states. To tackle these challenges, we proposed a deep meta learning based model, entitled ST-MetaNet$^+$+, tocollectivelypredict traffic in all locations at the same time. ST-MetaNet$^+$+employs a sequence-to-sequence architecture, consisting of an encoder to learn historical information and a decoder to make predictions step by step. Specifically, the encoder and decoder have the same network structure, consisting of meta graph attention networks and meta recurrent neural networks, to capture diverse spatial and temporal correlations, respectively. Furthermore, the weights (parameters) of meta graph attention networks and meta recurrent neural networks are generated from the embeddings of geo-graph attributes and the traffic context learned from dynamic traffic states. Extensive experiments were conducted based on three real-world datasets to illustrate the effectiveness of ST-MetaNet$^+$+beyond several state-of-the-art methods.

Black-box optimization (BBO) has a broad range of applications, including automatic machine learning, engineering, physics, and experimental design. However, it remains a challenge for users to apply BBO methods to their problems at hand with existing software packages, in terms of applicability, performance, and efficiency. In this paper, we build OpenBox, an open-source and general-purpose BBO service with improved usability. The modular design behind OpenBox also facilitates flexible abstraction and optimization of basic BBO components that are common in other existing systems. OpenBox is distributed, fault-tolerant, and scalable. To improve efficiency, OpenBox further utilizes "algorithm agnostic" parallelization and transfer learning. Our experimental results demonstrate the effectiveness and efficiency of OpenBox compared to existing systems.

Mining from graph-structured data is an integral component of graph data management. A recent trending technique, graph convolutional network (GCN), has gained momentum in the graph mining field, and plays an essential part in numerous graph-related tasks. Although the emerging GCN optimization techniques bring improvements to specific scenarios, they perform diversely in different applications and introduce many trial-and-error costs for practitioners. Moreover, existing GCN models often suffer from oversmoothing problem. Besides, the entanglement of various graph patterns could lead to non-robustness and harm the final performance of GCNs. In this work, we propose a simple yet efficient graph decomposition approach to improve the performance of general graph neural networks. We first empirically study existing graph decomposition methods and propose an automatic connectivity-ware graph decomposition algorithm, DeGNN. To provide a theoretical explanation, we then characterize GCN from the information-theoretic perspective and show that under certain conditions, the mutual information between the output after l layers and the input of GCN converges to 0 exponentially with respect to l. On the other hand, we show that graph decomposition can potentially weaken the condition of such convergence rate, alleviating the information loss when GCN becomes deeper. Extensive experiments on various academic benchmarks and real-world production datasets demonstrate that graph decomposition generally boosts the performance of GNN models. Moreover, our proposed solution DeGNN achieves state-of-the-art performances on almost all these tasks.

Graph neural networks (GNNs) have been widely used in many graph-based tasks such as node classification, link prediction, and node clustering. However, GNNs gain their performance benefits mainly from performing the feature propagation and smoothing across the edges of the graph, thus requiring sufficient connectivity and label information for effective propagation. Unfortunately, many real-world networks are sparse in terms of both edges and labels, leading to sub-optimal performance of GNNs. Recent interest in this sparse problem has focused on the self-training approach, which expands supervised signals with pseudo labels. Nevertheless, the self-training approach inherently cannot realize the full potential of refining the learning performance on sparse graphs due to the unsatisfactory quality and quantity of pseudo labels.

Graph Convolutional Networks (GCNs) have become state-of-the-art methods in many supervised and semi-supervised graph representation learning scenarios. In order to achieve satisfactory performance, GCNs require a sufficient amount of labeled data. However, in real-world scenarios, labeled data is often expensive to obtain. Therefore, we propose ALG, a novel Active Learning framework for GCNs, which employs domain-specific intelligence to achieve much higher performance and efficiency compared to the generic AL frameworks. First, by decoupling GCN models, ALG serves as an effective and efficient AL framework for measuring and combining node representativeness and informativeness. Second, by exploiting the characteristic of the reception field in GCNs, ALG considers both the importance and correlation of nodes by proposing a new node selection metric that maximizes the effective reception field (ERF). We prove that this ERF maximization problem is NP-hard and provide an efficient algorithm accompanied with a provable approximation guarantee. The empirical studies on four public datasets demonstrate that ALG can significantly improve both the performance and efficiency of active learning for GCNs.

End-to-end AutoML has attracted intensive interests from both academia and industry, which automatically searches for ML pipelines in a space induced by feature engineering, algorithm/model selection, and hyper-parameter tuning. Existing AutoML systems, however, suffer from scalability issues when applying to application domains with large, high-dimensional search spaces. We present VOLCANOML, a scalable and extensible framework that facilitates systematic exploration of large AutoML search spaces. VOLCANOML introduces and implements basic building blocks that decompose a large search space into smaller ones, and allows users to utilize these building blocks to compose an execution plan for the AutoML problem at hand. VOLCANOML further supports a Volcano-style execution model - akin to the one supported by modern database systems - to execute the plan constructed. Our evaluation demonstrates that, not only does VOLCANOML raise the level of expressiveness for search space decomposition in AutoML, it also leads to actual findings of decomposition strategies that are significantly more efficient than the ones employed by state-of-the-art AutoML systems such as auto-sklearn.

Data selection methods, such as active learning and core-set selection, are useful tools for improving the data efficiency of deep learning models on large-scale datasets. However, recent deep learning models have moved forward from independent and identically distributed data to graph-structured data, such as social networks, e-commerce user-item graphs, and knowledge graphs. This evolution has led to the emergence of Graph Neural Networks (GNNs) that go beyond the models existing data selection methods are designed for. Therefore, we present GRAIN, an efficient framework that opens up a new perspective through connecting data selection in GNNs with social influence maximization. By exploiting the common patterns of GNNs, GRAIN introduces a novel feature propagation concept, a diversified influence maximization objective with novel influence and diversity functions, and a greedy algorithm with an approximation guarantee into a unified framework. Empirical studies on public datasets demonstrate that GRAIN significantly improves both the performance and efficiency of data selection (including active learning and core-set selection) for GNNs. To the best of our knowledge, this is the first attempt to bridge two largely parallel threads of research, data selection, and social influence maximization, in the setting of GNNs, paving new ways for improving data efficiency.

The ensemble of deep neural networks has been shown, both theoretically and empirically, to improve generalization accuracy on the unseen test set. However, the high training cost hinders its efficiency since we need a sufficient number of base models and each one in the ensemble has to be separately trained. Lots of methods are proposed to tackle this problem, and most of them are based on the feature that a pre-trained network can transfer its knowledge to the next base model and then accelerate the training process. However, these methods suffer a severe problem that all of them transfer knowledge without selection and thus lead to low diversity. As the effect of ensemble learning is more pronounced if ensemble members are accurate and diverse, we propose a method named Efficient Diversity-Driven Ensemble (EDDE) to address both the diversity and the efficiency of an ensemble. To accelerate the training process, we propose a novel knowledge transfer method which can selectively transfer the previous generic knowledge. To enhance diversity, we first propose a new diversity measure, then use it to define a diversity-driven loss function for optimization. At last, we adopt a Boosting-based framework to combine the above operations, such a method can also further improve diversity. We evaluate EDDE on Computer Vision (CV) and Natural Language Processing (NLP) tasks. Compared with other well-known ensemble methods, EDDE can get highest ensemble accuracy with the lowest training cost, which means it is efficient in the ensemble of neural networks.

Graph Convolutional Network (GCN) is a widely used method for learning from graph-based data. However, it fails to use the unlabeled data to its full potential, thereby hindering its ability. Given some pseudo labels of the unlabeled data, the GCN can benefit from this extra supervision. Based on Knowledge Distillation and Ensemble Learning, lots of methods use a teacher-student architecture to make better use of the unlabeled data and then make a better prediction. However, these methods introduce unnecessary training costs and a high bias of student model if the teacher's predictions are unreliable. Besides, the final ensemble gains are limited due to limited diversity in the combined models. Therefore, we propose Reliable Data Distillation, a reliable data driven semi-supervised GCN training method. By defining the node reliability and edge reliability in a graph, we can make better use of high quality data and improve the graph representation learning. Furthermore, considering the data reliability and data importance, we propose a new ensemble learning method for GCN and a novel Self-Boosting SSL Framework to combine the above optimizations. Finally, our extensive evaluation of Reliable Data Distillation on real-world datasets shows that our approach outperforms the state-of-the-art methods on semi-supervised node classification tasks.