Large language models (LLMs) increasingly rely on reinforcement learning (RL) to enhance their reasoning capabilities through feedback. A critical challenge is verifying the consistency of model-generated responses and reference answers, since these responses are often lengthy, diverse, and nuanced. Rule-based verifiers struggle with complexity, prompting the use of model-based verifiers. Existing research primarily focuses on building better verifiers, yet a systematic evaluation of different types of verifiers' performance across domains remains lacking, severely constraining the reliable development of Reinforcement Learning with Verifiable Reward (RLVR). To address this, we propose VerifyBench--a cross-domain comprehensive benchmark for systematically evaluating verifiers. We construct about 4,000 expert-level questions covering mathematics, physics, chemistry, and biology. Questions are equipped with reference answers and diverse responses. The reliability of the evaluation is ensured through a rigorous collection and annotation process conducted by a multidisciplinary expert team. We design a four-dimensional experimental framework to comprehensively compare the performance boundaries of specialized verifiers and general LLMs under combined conditions of extracted answers vs. complete responses, and short vs. long outputs. Our evaluation uncovers fundamental trade-offs in verifiers: while specialized verifiers achieve leading accuracy (the best model reaching 96.48% in chemistry), they exhibit deficiencies in recall; general models show stronger inclusivity but unstable accuracy. More importantly, we discover verifiers' high sensitivity to input structure and inherent limitations in cross-domain generalization, providing critical insights into the bottlenecks of current verifier technology.

Recent advances in large language models (LLMs) have improved reasoning in text and image domains, yet achieving robust video reasoning remains a significant challenge. Existing video benchmarks mainly assess shallow understanding and reasoning and allow models to exploit global context, failing to rigorously evaluate true causal and stepwise reasoning. We present CausalStep, a benchmark designed for explicit stepwise causal reasoning in videos. CausalStep segments videos into causally linked units and enforces a strict stepwise question-answer (QA) protocol, requiring sequential answers and preventing shortcut solutions. Each question includes carefully constructed distractors based on error type taxonomy to ensure diagnostic value. The benchmark features 100 videos across six categories and 1,852 multiple-choice QA pairs. We introduce seven diagnostic metrics for comprehensive evaluation, enabling precise diagnosis of causal reasoning capabilities. Experiments with leading proprietary and open-source models, as well as human baselines, reveal a significant gap between current models and human-level stepwise reasoning. CausalStep provides a rigorous benchmark to drive progress in robust and interpretable video reasoning.

Vision-Language Models (VLMs) excel at many multimodal tasks, yet they frequently struggle with tasks requiring precise understanding and handling of fine-grained visual elements.This is mainly due to information loss during image encoding or insufficient attention to critical regions.Recent work has shown promise by incorporating pixel-level visual information into the reasoning process, enabling VLMs to access high-resolution visual details during their thought process.However, this pixel-level information is often overused, leading to inefficiency and distraction from irrelevant visual details.To address these challenges, we propose the first framework for adaptive pixel reasoning that dynamically determines necessary pixel-level operations based on the input query.Specifically, we first apply operation-aware supervised fine-tuning to establish baseline competence in textual reasoning and visual operations, then design a novel rollout-guided reinforcement learning framework relying on feedback of the model's own responses, which enables the VLM to determine when pixel operations should be invoked based on query difficulty.Experiments on extensive multimodal reasoning benchmarks show that our model achieves superior performance while significantly reducing unnecessary visual operations.Impressively, our model achieves 73.4% accuracy on HR-Bench 4K while maintaining a tool usage ratio of only 20.1%, improving accuracy and simultaneously reducing tool usage by 66.5% compared to the previous methods.

Baixuan Li, Jialong Wu, Wenbiao Yin, Kuan Li, Zhongwang Zhang, Huifeng Yin, Zhengwei Tao, Liwen Zhang, Pengjun Xie, Jingren Zhou, Yong Jiang, Wentao Zhang, Zhiqiang Gao. Proceedings of the 64th Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers). 2026.

Zheng Liu, Mengjie Liu, Siwei Wen, Mengzhang Cai, Bin Cui, Conghui He, Wentao Zhang. Proceedings of the 64th Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers). 2026.

Zheng Liu, Honglin Lin, Xiaoyang Wang, Xin Gao, Yu Li, Mengzhang Cai, Yun Zhu, Zhanping Zhong, Qizhi Pei, Zhuoshi Pan, Xiaoran Shang, Conghui He, Bin Cui, Wentao Zhang, Lijun Wu. Proceedings of the 64th Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers). 2026.

Scientific diagrams convey explicit structural information, yet modern text-to-image models often produce visually plausible but structurally incorrect results.Existing benchmarks either rely on image-centric or subjective metrics insensitive to structure, or evaluate intermediate symbolic representations rather than final rendered images, leaving pixel-based diagram generation underexplored.We introduce SciFlow-Bench, a structure-first benchmark for evaluating scientific diagram generation directly from pixel-level outputs.Built from real scientific PDFs, SciFlow-Bench pairs each source framework figure with a canonical ground-truth graph and evaluates models as black-box image generators under a closed-loop, round-trip protocol that inverse-parses generated diagram images back into structured graphs for comparison.This design enforces evaluation by structural recoverability rather than visual similarity alone, and is enabled by a hierarchical multiagent system that coordinates planning, perception, and structural reasoning.Experiments show that preserving structural correctness remains a fundamental challenge, particularly for diagrams with complex topology, underscoring the need for structure-aware evaluation.

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.

Abstract With the expansion of data availability, machine learning (ML) has achieved remarkable breakthroughs in both academia and industry. However, imbalanced data distributions are prevalent in various types of raw data and severely hinder the performance of ML by biasing the decision-making processes. To deepen the understanding of imbalanced data and facilitate the related research and applications, this survey systematically analyzes various real-world data formats and concludes existing researches for different data formats into four distinct categories: data re-balancing, feature representation, training strategy, and ensemble learning. This structured analysis helps researchers comprehensively understand the pervasive nature of imbalance across diverse data formats, thereby paving a clearer path toward achieving specific research goals. We provide an overview of relevant open-source libraries, spotlight current challenges, and offer novel insights aimed at fostering future advancements in this critical area of study.

The pilot operation of robotaxis in China’s public transportation system in 2024 attracted widespread social media attention and posed challenges to the traditional taxi market. During this pilot, public reactions on social media were examined using “Apollo Go” as a keyword; 177,890 relevant social media comments (SMCs) were collected, preprocessed, and annotated. A sentiment prediction model was then fine-tuned and validated for sentiment analysis, followed by topic-based statistical analysis. Results indicate that negative public sentiment toward robotaxis consistently exceeded positive sentiment across all periods. Positive evaluations emphasized regulatory compliance, cost-effectiveness, and technological innovation, whereas negative evaluations centered on driver unemployment, fears of AI displacement, and potential traffic congestion. Sentiment trajectories and the prioritization of concern topics demonstrated temporal and spatial stability. This study provides valuable insights for policy development and market strategies, contributing to the rational planning and efficient operation of autonomous taxis in Chinese cities.

In recent years, Graph Neural Networks (GNNs) have achieved remarkable success in many graph mining tasks. However, scaling them to large graphs is challenging due to the high computational and storage costs of repeated feature propagation and non-linear transformation during training. One commonly employed approach to address this challenge is model-simplification, which only executes the Propagation (P) once in the pre-processing, and Combine (C) these receptive fields in different ways and then feed them into a simple model for better performance. Despite their high predictive performance and scalability, these methods still face two limitations. First, existing approaches mainly focus on exploring different C methods from the model perspective, neglecting the crucial problem of performance degradation with increasing P depth from the data-centric perspective, known as the over-smoothing problem. Second, pre-processing overhead takes up most of the end-to-end processing time, especially for large-scale graphs. To address these limitations, we present random walk with noise masking (RMask), a plug-and-play module compatible with the existing model-simplification works. This module enables the exploration of deeper GNNs while preserving their scalability. Unlike the previous model-simplification works, we focus on continuous P and found that the noise existing inside each P is the cause of the over-smoothing issue, and use the efficient masking mechanism to eliminate them. Experimental results on six real-world datasets demonstrate that model-simplification works equipped with RMask yield superior performance compared to their original version and can make a good trade-off between accuracy and efficiency.

Federated learning has become a promising solution for collaboration among medical institutions. However, data owned by each institution would be highly heterogeneous and the distribution is always non-independent and identical distribution (non-IID), resulting in client drift and unsatisfactory performance. Despite existing federated learning methods attempting to solve the non-IID problems, they still show marginal advantages but rely on frequent communication which would incur high costs and privacy concerns. In this paper, we propose a novel federated learning method: Federated learning via Valuable Condensed Knowledge (FedVCK). We enhance the quality of condensed knowledge and select the most necessary knowledge guided by models, to tackle the non-IID problem within limited communication budgets effectively. Specifically, on the client side, we condense the knowledge of each client into a small dataset and further enhance the condensation procedure with latent distribution constraints, facilitating the effective capture of high-quality knowledge. During each round, we specifically target and condense knowledge that has not been assimilated by the current model, thereby preventing unnecessary repetition of homogeneous knowledge and minimizing the frequency of communications required. On the server side, we propose relational supervised contrastive learning to provide more supervision signals to aid the global model updating. Comprehensive experiments across various medical tasks show that FedVCK can outperform state-of-the-art methods, demonstrating that it's non-IID robust and communication-efficient.

Efficient data selection is crucial to accelerate the pretraining of language model (LMs). While various methods have been proposed to enhance data efficiency, limited research has addressed the inherent conflicts between these approaches to achieve optimal data selection for LM pretraining. To tackle this problem, we propose a multi-actor collaborative data selection mechanism: each data selection method independently prioritizes data based on its criterion and updates its prioritization rules using the current state of the model, functioning as an independent actor for data selection; and a console is designed to adjust the impacts of different actors at various stages and dynamically integrate information from all actors throughout the LM pretraining process. We conduct extensive empirical studies to evaluate our multi-actor framework. The experimental results demonstrate that our approach significantly improves data efficiency, accelerates convergence in LM pretraining, and achieves an average relative performance gain up to 10.5% across multiple language model benchmarks compared to the state-of-the-art methods. Code and checkpoints are publicly released at https://github.com/Relaxed-System-Lab/multi-actor-data-selection.

Recently, using large language models (LLMs) for data augmentation has led to considerable improvements in unsupervised sentence embedding models. However, existing methods encounter two primary challenges: limited data diversity and high data noise. Current approaches often neglect fine-grained knowledge, such as entities and quantities, leading to insufficient diversity. Besides, unsupervised data frequently lacks discriminative information, and the generated synthetic samples may introduce noise. In this paper, we propose a pipeline-based data augmentation method via LLMs and introduce the Gaussian-decayed gradient-assisted Contrastive Sentence Embedding (GCSE) model to enhance unsupervised sentence embeddings. To tackle the issue of low data diversity, our pipeline utilizes knowledge graphs (KGs) to extract entities and quantities, enabling LLMs to generate more diverse samples. To address high data noise, the GCSE model uses a Gaussian-decayed function to limit the impact of false hard negative samples, enhancing the model’s discriminative capability. Experimental results show that our approach achieves state-of-the-art performance in semantic textual similarity (STS) tasks, using fewer data samples and smaller LLMs, demonstrating its efficiency and robustness across various models.

Training large language models (LLMs) poses challenges due to their massive scale and heterogeneous architectures.While adaptive optimizers like AdamW help address gradient variations, they still struggle with efficient and effective parameter-wise learning rate estimation, resulting in training instability, slow convergence, and poor compatibility with parameter-efficient fine-tuning (PEFT) techniques.This work introduces Scaling with Gradient Grouping (SGG), an optimizer wrapper that improves adaptive learning rate estimation by dynamic grouping and group-specific scaling.SGG first groups gradient statistics in each layer into clusters and then applies cluster-specific scaling to calibrate learning rates for each parameter, thus imposing collective group-wise constraints while maintaining precise per-parameter adaptation.Experiments on diverse (M)LLM benchmarks show that SGG integrates seamlessly with existing optimizers, and offers consistent gains and faster convergence over baselines, with various model sizes.Its stability across varying batch sizes and learning rates establishes SGG as a robust choice for LLM optimization.

Linzhuang Sun, Hao Liang, Jingxuan Wei, Bihui Yu, Tianpeng Li, Fan Yang, Zenan Zhou, Wentao Zhang. Proceedings of the 63rd Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers). 2025.

Zhengren Wang, Qinhan Yu, Shida Wei, Zhiyu Li, Feiyu Xiong, Xiaoxing Wang, Simin Niu, Hao Liang, Wentao Zhang. Proceedings of the 63rd Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers). 2025.

Tao Zhang, ChengLIn Zhu, Yanjun Shen, Wenjing Luo, Yan Zhang, Hao Liang, Tao Zhang, Fan Yang, Mingan Lin, Yujing Qiao, Weipeng Chen, Bin Cui, Wentao Zhang, Zenan Zhou. Proceedings of the 63rd Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers). 2025.

Achieving optimal performance of video diffusion transformers within given data and compute budget is crucial due to their high training costs. This necessitates precisely determining the optimal model size and training hyperparameters before large-scale training. While scaling laws are employed in language models to predict performance, their existence and accurate derivation in visual generation models remain underexplored. In this paper, we systematically analyze scaling laws for video diffusion transformers and confirm their presence. Moreover, we discover that, unlike language models, video diffusion models are more sensitive to learning rate and batch size—two hyperparameters often not precisely modeled. To address this, we propose a new scaling law that predicts optimal hyperparameters for any model size and compute budget. Under these optimal settings, we achieve comparable performance and reduce inference costs by 40.1% compared to conventional scaling methods, within a compute budget of 1e10 TFlops. Furthermore, we establish a more generalized and precise relationship among validation loss, any model size, and compute budget. This enables performance prediction for non-optimal model sizes, which may also be appealed under practical inference cost constraints, achieving a better trade-off.

Sequence labeling remains a significant challenge in low-resource, domain-specific scenarios, particularly for character-dense languages.Existing methods primarily focus on enhancing model comprehension and improving data diversity to boost performance.However, these approaches still struggle with inadequate model applicability and semantic distribution biases in domain-specific contexts.To overcome these limitations, we propose a novel framework that combines an LLM-based knowledge enhancement workflow with a span-based Knowledge Fusion for Rich and Efficient Extraction (KnowFREE) model 1 .Our workflow employs explanation prompts to generate precise contextual interpretations of target entities, effectively mitigating semantic biases and enriching the model's contextual understanding.The KnowFREE model further integrates extension label features, enabling efficient nested entity extraction without relying on external knowledge during inference.Experiments on multiple domain-specific sequence labeling datasets demonstrate that our approach achieves stateof-the-art performance, effectively addressing the challenges posed by low-resource settings.

Human feedback is crucial in the interactions between humans and Large Language Models (LLMs). However, existing research primarily focuses on benchmarking LLMs in single-turn dialogues. Even in benchmarks designed for multi-turn dialogues, the user utterances are often independent, neglecting the nuanced and complex nature of human feedback within real-world usage scenarios. To fill this research gap, we introduce FB-Bench, a fine-grained, multi-task benchmark designed to evaluate LLMs’ responsiveness to human feedback under real-world usage scenarios in Chinese. Drawing from the two main interaction scenarios, FB-Bench comprises 591 meticulously curated samples, encompassing eight task types, five deficiency types of response, and nine feedback types. We extensively evaluate a broad array of popular LLMs, revealing significant variations in their performance across different interaction scenarios. Further analysis indicates that task, human feedback, and deficiencies of previous responses can also significantly impact LLMs’ responsiveness. Our findings underscore both the strengths and limitations of current models, providing valuable insights and directions for future research.

As demonstrated by the proprietary Large Language Models (LLMs) such as GPT and Claude series, LLMs have the potential to achieve remarkable proficiency across a wide range of domains, including law, medicine, finance, science, code, etc., all within a single model. These capabilities are further augmented during the Supervised Fine-Tuning (SFT) phase. Despite their potential, existing work mainly focuses on domain-specific enhancements during fine-tuning, the challenge of which lies in catastrophic forgetting of knowledge across other domains. In this study, we introduce VersaTune, a novel data composition framework designed for enhancing LLMs’ overall multi-domain capabilities during training. We begin with detecting the distribution of domain-specific knowledge within the base model, followed by the training data composition that aligns with the model’s existing knowledge distribution. During the subsequent training process, domain weights are dynamically adjusted based on their learnable potential and forgetting degree. Experimental results indicate that VersaTune is effective in multi-domain fostering, with an improvement of 29.77% in the overall multi-ability performances compared to uniform domain weights. Furthermore, we find that Qwen-2.5-32B + VersaTune even surpasses frontier models, including GPT-4o, Claude3.5-Sonnet and DeepSeek-V3 by 0.86%, 4.76% and 4.60%. Additionally, in scenarios where flexible expansion of a specific domain is required, VersaTune reduces the performance degradation in other domains by 38.77%, while preserving the training efficacy of the target domain.

Yuanyang Yin, Yaqi Zhao, Yajie Zhang, Yuanxing Zhang, Ke Lin, Jiahao Wang, Xin Tao, Pengfei Wan, Wentao Zhang, Feng Zhao. Proceedings of the 2025 Conference on Empirical Methods in Natural Language Processing. 2025.

Image-based virtual try-on (VTON) aims to generate a virtual try-on result by transferring an input garment onto a target person's image. However, the scarcity of paired garment-model data makes it challenging for existing methods to achieve high generalization and quality in VTON. Also, it limits the ability to generate mask-free try-ons. To tackle the data scarcity problem, approaches such as Stable Garment and MMTryon use a synthetic data strategy, effectively increasing the amount of paired data on the model side. However, existing methods are typically limited to performing specific try-on tasks and lack user-friendliness. To enhance the generalization and controllability of VTON generation, we propose Any2AnyTryon, which can generate try-on results based on different textual instructions and model garment images to meet various needs, eliminating the reliance on masks, poses, or other conditions. Specifically, we first construct the virtual try-on dataset LAION-Garment, the largest known open-source garment try-on dataset. Then, we introduce adaptive position embedding, which enables the model to generate satisfactory outfitted model images or garment images based on input images of different sizes and categories, significantly enhancing the generalization and controllability of VTON generation. In our experiments, we demonstrate the effectiveness of our Any2AnyTryon and compare it with existing methods. The results show that Any2AnyTryon enables flexible, controllable, and high-quality image-based virtual try-on generation. https://logn-2024.github.io/Any2anyTryonProjectPage

Retrieval-augmented Generation (RAG) enhances Large Language Models (LLMs) by integrating external knowledge to reduce hallucinations and incorporate up-to-date information without retraining. As an essential part of RAG, external knowledge bases are commonly built by extracting structured data from unstructured PDF documents using Optical Character Recognition (OCR). However, given the imperfect prediction of OCR and the inherent non-uniform representation of structured data, knowledge bases inevitably contain various OCR noises. In this paper, we introduce OHRBench, the first benchmark for understanding the cascading impact of OCR on RAG systems. OHRBench includes 8,561 carefully selected unstructured document images from seven real-world RAG application domains, along with 8,498 Q&A pairs derived from multimodal elements in documents, challenging existing OCR solutions used for RAG. To better understand OCR's impact on RAG systems, we identify two primary types of OCR noise: Semantic Noise and Formatting Noise and apply perturbation to generate a set of structured data with varying degrees of each OCR noise. Using OHRBench, we first conduct a comprehensive evaluation of current OCR solutions and reveal that none is competent for constructing high-quality knowledge bases for RAG systems. We then systematically evaluate the impact of these two noise types and demonstrate the trend relationship between the degree of OCR noise and RAG performance. Our OHRBench, including PDF documents, Q&As, and the ground truth structured data are released at: https://github.com/opendatalab/OHR-Bench

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.

Large Language Models (LLMs) have exhibited significant potential in performing diverse tasks, including the ability to call functions or use external tools to enhance their performance. While current research on function calling by LLMs primarily focuses on single-turn interactions, this paper addresses the overlooked necessity for LLMs to engage in multi-turn function calling—critical for handling compositional, real-world queries that require planning with functions but not only use functions. To facilitate this, we introduce an approach, BUTTON, which generates synthetic compositional instruction tuning data via bottom-up instruction construction and top-down trajectory generation. In the bottom-up phase, we generate simple atomic tasks based on real-world scenarios and build compositional tasks using heuristic strategies based on atomic tasks. Corresponding function definitions are then synthesized for these compositional tasks. The top-down phase features a multi-agent environment where interactions among simulated humans, assistants, and tools are utilized to gather multi-turn function calling trajectories. This approach ensures task compositionality and allows for effective function and trajectory generation by examining atomic tasks within compositional tasks. We produce a dataset BUTTONInstruct comprising 8k data points and demonstrate its effectiveness through extensive experiments across various LLMs.

Large Language Models (LLMs) have become instrumental across various applications, with the customization of these models to specific scenarios becoming increasingly critical. System message, a fundamental component of LLMs, is consist of carefully crafted instructions that guide the behavior of model to meet intended goals. Despite the recognized potential of system messages to optimize AI-driven solutions, there is a notable absence of a comprehensive benchmark for evaluating how well LLMs follow system messages. To fill this gap, we introduce SysBench, a benchmark that systematically analyzes system message following ability in terms of three limitations of existing LLMs: constraint violation, instruction misjudgement and multi-turn instability. Specifically, we manually construct evaluation dataset based on six prevalent types of constraints, including 500 tailor-designed system messages and multi-turn user conversations covering various interaction relationships. Additionally, we develop a comprehensive evaluation protocol to measure model performance. Finally, we conduct extensive evaluation across various existing LLMs, measuring their ability to follow specified constraints given in system messages. The results highlight both the strengths and weaknesses of existing models, offering key insights and directions for future research.

Glycans are basic biomolecules and perform essential functions within living organisms. The rapid increase of functional glycan data provides a good opportunity for machine learning solutions to glycan understanding. However, there still lacks a standard machine learning benchmark for glycan property and function prediction. In this work, we fill this blank by building a comprehensive benchmark for Glycan Machine Learning (GlycanML). The GlycanML benchmark consists of diverse types of tasks including glycan taxonomy prediction, glycan immunogenicity prediction, glycosylation type prediction, and protein-glycan interaction prediction. Glycans can be represented by both sequences and graphs in GlycanML, which enables us to extensively evaluate sequence-based models and graph neural networks (GNNs) on benchmark tasks. Furthermore, by concurrently performing eight glycan taxonomy prediction tasks, we introduce the GlycanML-MTL testbed for multi-task learning (MTL) algorithms. Also, we evaluate how taxonomy prediction can boost other three function prediction tasks by MTL. Experimental results show the superiority of modeling glycans with multi-relational GNNs, and suitable MTL methods can further boost model performance. We provide all datasets and source codes at https://github.com/GlycanML/GlycanML and maintain a leaderboard at https://GlycanML.github.io/project

Recent advances in 3D generation have been remarkable, with methods such as DreamFusion leveraging large-scale text-to-image diffusion-based models to guide 3D object generation. These methods enable the synthesis of detailed and photorealistic textured objects. However, the appearance of 3D objects produced by such text-to-3D models is often unpredictable, and it is hard for single-image-to-3D methods to deal with images lacking a clear subject, complicating the generation of appearance-controllable 3D objects from complex images. To address these challenges, we present IPDreamer, a novel method that captures intricate appearance features from complex **I**mage **P**rompts and aligns the synthesized 3D object with these extracted features, enabling high-fidelity, appearance-controllable 3D object generation. Our experiments demonstrate that IPDreamer consistently generates high-quality 3D objects that align with both the textual and complex image prompts, highlighting its promising capability in appearance-controlled, complex 3D object generation.

Unsupervised Graph Domain Adaptation (UGDA) leverages labeled source domain graphs to achieve effective performance in unlabeled target domains despite distribution shifts. However, existing methods often yield suboptimal results due to the entanglement of causal-spurious features and the failure of global alignment strategies. We propose SLOGAN (Sparse Causal Discovery with Generative Intervention), a novel approach that achieves stable graph representation transfer through sparse causal modeling and dynamic intervention mechanisms. Specifically, SLOGAN first constructs a sparse causal graph structure, leveraging mutual information bottleneck constraints to disentangle sparse, stable causal features while compressing domain-dependent spurious correlations through variational inference. To address residual spurious correlations, we innovatively design a generative intervention mechanism that breaks local spurious couplings through cross-domain feature recombination while maintaining causal feature semantic consistency via covariance constraints. Furthermore, to mitigate error accumulation in target domain pseudo-labels, we introduce a category-adaptive dynamic calibration strategy, ensuring stable discriminative learning. Extensive experiments on multiple real-world datasets demonstrate that SLOGAN significantly outperforms existing baselines.

Understanding the various properties of glycans with machine learning has shown some preliminary promise. However, previous methods mainly focused on modeling the backbone structure of glycans as graphs of monosaccharides (i.e., sugar units), while they neglected the atomic structures underlying each monosaccharide, which are actually important indicators of glycan properties. We fill this blank by introducing the GlycanAA model for All-Atom-wise Glycan modeling. GlycanAA models a glycan as a heterogeneous graph with monosaccharide nodes representing its global backbone structure and atom nodes representing its local atomic-level structures. Based on such a graph, GlycanAA performs hierarchical message passing to capture from local atomic-level interactions to global monosaccharide-level interactions. To further enhance model capability, we pre-train GlycanAA on a high-quality unlabeled glycan dataset, deriving the PreGlycanAA model. We design a multi-scale mask prediction algorithm to endow the model about different levels of dependencies in a glycan. Extensive benchmark results show the superiority of GlycanAA over existing glycan encoders and verify the further improvements achieved by PreGlycanAA. We maintain all resources at https://github.com/kasawa1234/GlycanAA.

Multivariate time series forecasting involves predicting future values based on historical observations. However, existing approaches primarily rely on predefined single-scale patches or lack effective mechanisms for multi-scale feature fusion. These limitations hinder them from fully capturing the complex patterns inherent in time series, leading to constrained performance and insufficient generalizability. To address these challenges, we propose a novel architecture named Adaptive Weighted Mixture of Multi-Scale Expert Transformers (AdaMixT). Specifically, AdaMixT introduces various patches and leverages both General Pre-trained Models (GPM) and Domain-specific Models (DSM) for multi-scale feature extraction. To accommodate the heterogeneity of temporal features, AdaMixT incorporates a gating network that dynamically allocates weights among different experts, enabling more accurate predictions through adaptive multi-scale fusion. Comprehensive experiments on eight widely used benchmarks, including Weather, Traffic, Electricity, ILI, and four ETT datasets, consistently demonstrate the effectiveness of AdaMixT in real-world scenarios.

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.

Long-context video understanding in Multimodal Large Language Models (MLLMs) faces a critical challenge: balancing computational efficiency with the retention of fine-grained spatio-temporal patterns. Existing approaches (e.g., sparse sampling, dense sampling with low resolution, and token compression) suffer from significant information loss in temporal dynamics, spatial details, or subtle interactions, particularly in videos with complex motion or varying resolutions. To address this, we propose Mavors, a novel framework that introduces Multi-granularity video representation for holistic long-video modeling. Specifically, Mavors directly encodes raw video content into latent representations through two core components: 1) an Intra-chunk Vision Encoder (IVE) that preserves high-resolution spatial features via 3D convolutions and Vision Transformers, and 2) an Inter-chunk Feature Aggregator (IFA) that establishes temporal coherence across chunks using transformer-based dependency modeling with chunk-level rotary position encodings. Moreover, the framework unifies image and video understanding by treating images as single-frame videos via sub-image decomposition. Experiments across diverse benchmarks demonstrate Mavors' superiority in maintaining both spatial fidelity and temporal continuity, significantly outperforming existing methods in tasks requiring fine-grained spatio-temporal reasoning.

With the rapid progress of Multimodal LLMs, evaluating their mathematical reasoning capabilities has become an increasingly important research direction. In particular, visual-textual mathematical reasoning serves as a key indicator of an MLLM's ability to comprehend and solve complex, multi-step quantitative problems. While existing benchmarks such as MathVista and MathVerse have advanced the evaluation of multimodal math proficiency, they primarily rely on digitally rendered content and fall short in capturing the complexity of real-world scenarios. To bridge this gap, we introduce MathScape, a novel benchmark focused on assessing MLLMs' reasoning ability in realistic mathematical contexts. MathScape comprises 1,369 high-quality math problems paired with human-captured real-world images, closely reflecting the challenges encountered in practical educational settings. We conduct a thorough multi-dimensional evaluation across nine leading closed-source MLLMs, three open-source MLLMs with over 20 billion parameters, and seven smaller-scale MLLMs. Our results show that even SOTA models struggle with real-world math tasks, lagging behind human performance-highlighting critical limitations in current model capabilities. Moreover, we find that strong performance on synthetic or digitally rendered images does not guarantee similar effectiveness on real-world tasks. This underscores the necessity of MathScape in the next stage of multimodal mathematical reasoning.

Vision-Language Models (VLMs) have recently emerged, demonstrating remarkable vision-understanding capabilities. However, training these models requires large-scale datasets, which brings challenges related to efficiency, effectiveness, and quality of web data. In this paper, we introduce SynthVLM, a new data synthesis and curation method for generating image-caption pairs. Unlike traditional methods, where captions are generated from images, SynthVLM utilizes advanced diffusion models and high-quality captions to synthesize and select images from text captions, thereby creating precisely aligned image-text pairs. We further introduce SynthVLM-100K, a high-quality dataset consisting of 100K curated and synthesized image-caption pairs. In both model and human evaluations, SynthVLM-100K outperforms traditional real-world datasets. Leveraging this dataset, we develop a new family of multimodal large language models (MLLMs), SynthVLM-7B and SynthVLM-13B, which achieve state-of-the-art (SOTA) performance on various vision question-answering (VQA) tasks. Notably, our models outperform LLaVA across most metrics with only 18% pretrain data. Furthermore, SynthVLM-7B and SynthVLM-13B attain SOTA performance on the MMLU benchmark, demonstrating that the high-quality SynthVLM-100K dataset preserves language abilities. Our dataset and the complete data generating and curating methods can be found in https://github.com/starriver030515/SynthVLM.

Generating human motion in scenes from text aims to synthesize semantically aligned and scene-aware motions. Existing methods have made significant progress by incorporating spatial reasoning and structured generation strategies to connect text descriptions with human-scene interactions. However, they typically rely on simple textual inputs and struggle to comprehend open-ended instructions. There are three key challenges: (1) difficulty in understanding complex instructions due to limited and templated training text annotations; (2) inability to generate natural motions that align with arbitrary trajectories described in text; (3) lack of motion diversity that matches the intended semantics. To address these challenges, we propose PSMo, which consists of two components: the Semantic Planner and the Scene-Aware Motion Generator. The Semantic Planner leverages a Multimodal Large Language Model (MLLM) to parse open-ended instructions, and plans fine-grained motion states aligned with arbitrary trajectories. The scene-aware motion generator adopts the diffusion model with trajectory constraints and a sequential tiling strategy. To enhance motion diversity, we introduce a retrieval-augmented strategy and Scene-Aware Retrieval Attention, which integrates multi-modal features into the generation process. Extensive experiments demonstrate that our method produces high-quality and natural motions under open-ended instructions in scenes.

Diffusion models have significantly improved the performance of image editing. Existing methods realize various approaches to achieve high-quality image editing, including but not limited to text control, dragging operation, and mask-and-inpainting. Among these, instruction-based editing stands out for its convenience and effectiveness in following human instructions across diverse scenarios. However, it still focuses on simple editing operations like adding, replacing, or deleting, and falls short of understanding aspects of world dynamics that convey the realistic dynamic nature in the physical world. Therefore, this work EditWorld introduces a new editing task, namely world-instructed image editing, which defines and categorizes the instructions grounded by various world scenarios. We curate a new image editing dataset with world instructions using a set of large pretrained models (e.g., GPT, Video-LLava and SDXL). To enable sufficient simulation of world dynamics for image editing, our EditWorld trains model in the curated dataset, and improves instruction-following ability with designed post-edit strategy. Extensive experiments demonstrate our method significantly outperforms existing editing methods in this new task. https://github.com/YangLing0818/EditWorld

Personalized models have demonstrated remarkable success in understanding and generating concepts provided by users. However, existing methods use separate concept tokens for understanding and generation, treating these tasks in isolation. This may result in limitations for generating images with complex prompts. For example, given the concept $\langle bo\rangle$, generating "$\langle bo\rangle$ wearing its hat" without additional textual descriptions of its hat. We call this kind of generation \textit{\textbf{personalized attribute-reasoning generation}}. To address the limitation, we present UniCTokens, a novel framework that effectively integrates personalized information into a unified vision language model (VLM) for understanding and generation. UniCTokens trains a set of unified concept tokens to leverage complementary semantics, boosting two personalized tasks. Moreover, we propose a progressive training strategy with three stages: understanding warm-up, bootstrapping generation from understanding, and deepening understanding from generation to enhance mutual benefits between both tasks. To quantitatively evaluate the unified VLM personalization, we present UnifyBench, the first benchmark for assessing concept understanding, concept generation, and attribute-reasoning generation. Experimental results on UnifyBench indicate that UniCTokens shows competitive performance compared to leading methods in concept understanding, concept generation, and achieving state-of-the-art results in personalized attribute-reasoning generation. Our research demonstrates that enhanced understanding improves generation, and the generation process can yield valuable insights into understanding. Our code and dataset will be released at: \href{https://github.com/arctanxarc/UniCTokens}{https://github.com/arctanxarc/UniCTokens}.

Multimodal large language models (MLLMs) have achieved strong performance on vision-language tasks but still struggle with fine-grained visual differences, leading to hallucinations or missed semantic shifts. We attribute this to limitations in both training data and learning objectives. To address these issues, we propose a controlled data generation pipeline that produces minimally edited image pairs with semantically aligned captions. Using this pipeline, we construct the Micro Edit Dataset (MED), containing over 50K image-text pairs spanning 11 fine-grained edit categories, including attribute, count, position, and object presence changes. Building on MED, we introduce a supervised fine-tuning (SFT) framework with a feature-level consistency loss that promotes stable visual embeddings under small edits. We evaluate our approach on the Micro Edit Detection benchmark, which includes carefully balanced evaluation pairs designed to test sensitivity to subtle visual variations across the same edit categories. Our method improves difference detection accuracy and reduces hallucinations compared to strong baselines, including GPT-4o. Moreover, it yields consistent gains on standard vision-language tasks such as image captioning and visual question answering. These results demonstrate the effectiveness of combining targeted data and alignment objectives for enhancing fine-grained visual reasoning in MLLMs. Code and datasets are publicly released at https://github.com/Relaxed-System-Lab/hallu_med.

Multi-modal large language models (MLLMs) have achieved remarkable capabilities by integrating visual perception with language understanding, enabling applications such as image-grounded dialogue, visual question answering, and scientific analysis. However, most MLLMs adopt a static inference paradigm, encoding the entire image into fixed visual tokens upfront, which limits their ability to iteratively refine understanding or adapt to context during inference. This contrasts sharply with human perception, which is dynamic, selective, and feedback-driven. In this work, we introduce a novel framework for inference-time visual token scaling that enables MLLMs to perform iterative, verifier-guided reasoning over visual content. We formulate the problem as a Markov Decision Process, involving a reasoner that proposes visual actions and a verifier—trained via multi-step Direct Preference Optimization (DPO)—that evaluates these actions and determines when reasoning should terminate. To support this, we present a new dataset, VTS, comprising supervised reasoning trajectories (VTS-SFT) and preference-labeled reasoning comparisons (VTS-DPO). Our method significantly outperforms existing approaches across diverse visual reasoning benchmarks, offering not only improved accuracy but also more interpretable and grounded reasoning processes. These results demonstrate the promise of dynamic inference mechanisms for enabling fine-grained, context-aware visual reasoning in next-generation MLLMs. Code and datasets are publicly released at https://vts-v.github.io/.

Automatic audio captioning is essential for audio understanding, enabling applications such as accessibility and content indexing. However, evaluating the quality of audio captions remains a major challenge, especially in reference-free settings where high-quality ground-truth captions are unavailable. While CLAPScore is currently the most widely used reference-free Audio Caption Evaluation Metric(ACEM), its robustness under diverse conditions has not been systematically validated. To address this gap, we introduce BRACE, a new benchmark designed to evaluate audio caption alignment quality in a reference-free setting. BRACE is primarily designed for assessing ACEMs, and can also be extended to measure the modality alignment abilities of Large Audio Language Model(LALM). BRACE consists of two sub-benchmarks: BRACE-Main for fine-grained caption comparison and BRACE-Hallucination for detecting subtle hallucinated content. We construct these datasets through high-quality filtering, LLM-based corruption, and human annotation. Given the widespread adoption of CLAPScore as a reference-free ACEM and the increasing application of LALMs in audio-language tasks, we evaluate both approaches using the BRACE benchmark, testing CLAPScore across various CLAP model variants and assessing multiple LALMs. Notably, even the best-performing CLAP-based ACEM achieves only a 70.01 F1-score on the BRACE-Main benchmark, while the best LALM reaches just 63.19. By revealing the limitations of CLAP models and LALMs, our BRACE benchmark offers valuable insights into the direction of future research. Our evaluation code and benchmark dataset are released in https://github.com/HychTus/BRACEEvaluation and https://huggingface.co/datasets/gtysssp/audiobenchmarks.

We present Perceive Anything Model (PAM), a conceptually straightforward and efficient framework for comprehensive region-level visual understanding in images and videos. Our approach extends the powerful segmentation model SAM 2 by integrating Large Language Models (LLMs), enabling simultaneous object segmentation with the generation of diverse, region-specific semantic outputs, including categories, label definition, functional explanations, and detailed captions. A key component, Semantic Perceiver, is introduced to efficiently transform SAM 2's rich visual features, which inherently carry general vision, localization, and semantic priors into multi-modal tokens for LLM comprehension. To support robust multi-granularity understanding, we also develop a dedicated data refinement and augmentation pipeline, yielding a high-quality dataset of 1.5M image and 0.6M video region-semantic annotations, including novel region-level streaming video caption data. PAM is designed for lightweightness and efficiency, while also demonstrates strong performance across a diverse range of region understanding tasks. It runs 1.2$-$2.4$\times$ faster and consumes less GPU memory than prior approaches, offering a practical solution for real-world applications. We believe that our effective approach will serve as a strong baseline for future research in region-level visual understanding.

The remarkable success of the autoregressive paradigm has made significant advancement in Multimodal Large Language Models (MLLMs), with powerful models like Show-o, Transfusion and Emu3 made notable strides in unified image understanding and generation. For the first time, we uncover a common phenomenon: the understanding capability of MLLMs is usually stronger than their generative capability, with a significant gap between them. Building on this insight, we propose HermesFlow, a simple and general framework designed to seamlessly bridge the gap between understanding and generation in MLLMs. Specifically, we take the homologous data as input to curate homologous preference data of both understanding and generation. Through Pair-DPO and self-play iterative optimization, HermesFlow effectively aligns multimodal understanding and generation using homologous preference data. Extensive experiments demonstrate the significant superiority of our approach over prior methods, particularly in narrowing the gap between multimodal understanding and generation. These findings highlight the potential of HermesFlow as a general alignment framework for next-generation multimodal foundation models.

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.

With the rapid advancement of AI applications, the growing needs for data privacy and model robustness have highlighted the importance of machine unlearning, especially in thriving graph-based scenarios. However, most existing graph unlearning strategies primarily rely on well-designed architectures or manual process, rendering them less user-friendly and posing challenges in terms of deployment efficiency. Furthermore, striking a balance between unlearning performance and framework generalization is also a pivotal concern. To address the above issues, we propose Mutual Evolution Graph Unlearning (MEGU), a new mutual evolution paradigm that simultaneously evolves the predictive and unlearning capacities of graph unlearning. By incorporating aforementioned two components, MEGU ensures complementary optimization in a unified training framework that aligns with the prediction and unlearning requirements. Extensive experiments on 9 graph benchmark datasets demonstrate the superior performance of MEGU in addressing unlearning requirements at the feature, node, and edge levels. Specifically, MEGU achieves average performance improvements of 2.7%, 2.5%, and 3.2% across these three levels of unlearning tasks when compared to state-of-the-art baselines. Furthermore, MEGU exhibits satisfactory training efficiency, reducing time and space overhead by an average of 159.8x and 9.6x, respectively, in comparison to retraining GNN from scratch.

Tumor metastasis, the spread of cancer cells to distant sites, significantly challenges clinical prognosis and treatment efficacy, ultimately impacting patient survival. Current predictive methods rely on extensive examinations and subjective clinical judgments, underscoring the urgent need for accurate and rapid assessments of metastasis likelihood to guide effective interventions. Moreover, identifying key genes closely associated with metastasis probability is essential for gaining insights that could facilitate the identification of metastasis-specific biomarkers. We developed MetaGXplore, an innovative Graph Convolutional Neural Network (GCN)-based framework, designed to predict metastasis probability by integrating pan-cancer multi-omic datasets with a protein-protein interaction network while identifying genes crucial to the metastatic process. By leveraging multi-omics datasets, our approach offers a comprehensive view of cancer biology, enhancing accuracy in metastasis forecasting through advanced deep learning algorithms. The efficacy of MetaGXplore was validated through extensive model evaluations, graph structural analysis, and multi-omics data assessment. We applied GNNExplainer to interpret our classification model’s outcomes, providing insights into key feature contributions. Additionally, enrichment analysis of pivotal genes further elucidated the biological mechanisms underlying metastasis.

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.

GNN-to-MLP distillation aims to utilize knowledge distillation (KD) to learn computationally-efficient multi-layer perceptron (student MLP) on graph data by mimicking the output representations of teacher GNN. Existing methods mainly make the MLP to mimic the GNN predictions over a few class labels. However, the class space may not be expressive enough for covering numerous diverse local graph structures, thus limiting the performance of knowledge transfer from GNN to MLP. To address this issue, we propose to learn a new powerful graph representation space by directly labeling nodes' diverse local structures for GNN-to-MLP distillation. Specifically, we propose a variant of VQ-VAE to learn a structure-aware tokenizer on graph data that can encode each node's local substructure as a discrete code. The discrete codes constitute a codebook as a new graph representation space that is able to identify different local graph structures of nodes with the corresponding code indices. Then, based on the learned codebook, we propose a new distillation target, namely soft code assignments, to directly transfer the structural knowledge of each node from GNN to MLP. The resulting framework VQGraph achieves new state-of-the-art performance on GNN-to-MLP distillation in both transductive and inductive settings across seven graph datasets. We show that VQGraph with better performance infers faster than GNNs by 828×, and also achieves accuracy improvement over GNNs and stand-alone MLPs by 3.90% and 28.05% on average, respectively. Our code is available at https://github.com/YangLing0818/VQGraph

Generating 3D ligand molecules that bind to specific protein targets via diffusion models has shown great promise for structure-based drug design. The key idea is to disrupt molecules into noise through a fixed forward process and learn its reverse process to generate molecules from noise in a denoising way. However, existing diffusion models primarily focus on incorporating protein-ligand interaction information solely in the reverse process, and neglect the interactions in the forward process. The inconsistency between forward and reverse processes may impair the binding affinity of generated molecules towards target protein. In this paper, we propose a novel Interaction Prior-guided Diffusion model (IPDiff) for the protein-specific 3D molecular generation by introducing geometric protein-ligand interactions into both diffusion and sampling process. Specifically, we begin by pretraining a protein-ligand interaction prior network (IPNet) by utilizing the binding affinity signals as supervision. Subsequently, we leverage the pretrained prior network to (1) integrate interactions between the target protein and the molecular ligand into the forward process for adapting the molecule diffusion trajectories (prior-shifting), and (2) enhance the binding-aware molecule sampling process (prior-conditioning). Empirical studies on CrossDocked2020 dataset show IPDiff can generate molecules with more realistic 3D structures and state-of-the-art binding affinities towards the protein targets, with up to -6.42 Avg. Vina Score, while maintaining proper molecular properties. https://github.com/YangLing0818/IPDiff

Generating ligand molecules that bind to specific protein targets via generative models holds substantial promise for advancing structure-based drug design. Existing methods generate molecules from scratch without reference or template ligands, which poses challenges in model optimization and may yield suboptimal outcomes. To address this problem, we propose an innovative interaction-based retrieval-augmented diffusion model named IRDiff to facilitate target-aware molecule generation. IRDiff leverages a curated set of ligand references, i.e., those with desired properties such as high binding affinity, to steer the diffusion model towards synthesizing ligands that satisfy design criteria. Specifically, we utilize a protein-molecule interaction network (PMINet), which is pretrained with binding affinity signals to: (i) retrieve target-aware ligand molecules with high binding affinity to serve as references, and (ii) incorporate essential protein-ligand binding structures for steering molecular diffusion generation with two effective augmentation mechanisms, i.e., retrieval augmentation and self augmentation. Empirical studies on CrossDocked2020 dataset show IRDiff can generate molecules with more realistic 3D structures and achieve state-of-the-art binding affinities towards the protein targets, while maintaining proper molecular properties. The codes and models are available at https://github.com/YangLing0818/IRDiff

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.

With the remarkable achievements of large language models (LLMs), the demand for fine-tuning and deploying LLMs in various downstream tasks has garnered widespread interest. Parameter-efficient fine-tuning techniques represented by LoRA and model quantization techniques represented by GPTQ and AWQ are of paramount significance. However, although these techniques have been widely adopted in single-task scenarios, research is scarce in multi-task scenarios. To be specific, we find that mainstream quantization methods would prevent the base LLM from being shared among tasks, so current LLM serving systems are infeasible to integrate LLM quantization with multiple LoRA adapters to achieve memory-efficient multi-task serving. Moreover, existing LLM serving systems lack support for dynamic task addition and overlook the workload differences among tasks, leading to inefficiencies in multi-task scenarios. This work proposes LoRA-Inlaid, an efficient multi-task LLM serving system. On the one hand, LoRA-Inlaid designs a flexible and efficient multi-task quantization algorithm (MLGPTQ) that facilitates the sharing of a single quantized model for multiple LoRA adapters, which significantly reduces the memory consumption for model deployment. Meanwhile, it supports adding LoRA adapters for new tasks on the fly, without sacrificing the stability of online services. On the other hand, LoRA-Inlaid develops a novel multi-task scheduling algorithm guided by output length prediction and grouping among different tasks, which effectively shrinks the memory consumption and avoids frequent switching of LoRA adapters. Empirical results verify that LoRA-Inlaid outperforms existing state-of-the-art LLM serving systems by up to 1.58 times in terms of throughput, 1.76 times in terms of average latency, 2 times in terms of job completion time, and 10 times in terms of SLO Attainment, while maintaining the same level of model quality.

We introduce Buffer of Thoughts (BoT), a novel and versatile thought-augmented reasoning approach for enhancing accuracy, efficiency and robustness of large language models (LLMs). Specifically, we propose meta-buffer to store a series of informative high-level thoughts, namely thought-template, distilled from the problem-solving processes across various tasks. Then for each problem, we retrieve a relevant thought-template and adaptively instantiate it with specific reasoning structures to conduct efficient reasoning. To guarantee the scalability and stability, we further propose buffer-manager to dynamically update the meta-buffer, thus enhancing the capacity of meta-buffer as more tasks are solved. We conduct extensive experiments on 10 challenging reasoning-intensive tasks, and achieve significant performance improvements over previous SOTA methods: 11\% on Game of 24, 20\% on Geometric Shapes and 51\% on Checkmate-in-One. Further analysis demonstrate the superior generalization ability and model robustness of our BoT, while requiring only 12\% of the cost of multi-query prompting methods (e.g., tree/graph of thoughts) on average. Code is available at: https://github.com/YangLing0818/buffer-of-thought-llm

The scale and quality of a dataset significantly impact the performance of deep models. However, acquiring large-scale annotated datasets is both a costly and time-consuming endeavor. To address this challenge, dataset expansion technologies aim to automatically augment datasets, unlocking the full potential of deep models. Current data expansion techniques include image transformation and image synthesis methods. Transformation-based methods introduce only local variations, leading to limited diversity. In contrast, synthesis-based methods generate entirely new content, greatly enhancing informativeness. However, existing synthesis methods carry the risk of distribution deviations, potentially degrading model performance with out-of-distribution samples. In this paper, we propose DistDiff, a training-free data expansion framework based on the distribution-aware diffusion model. DistDiff constructs hierarchical prototypes to approximate the real data distribution, optimizing latent data points within diffusion models with hierarchical energy guidance. We demonstrate its capability to generate distribution-consistent samples, significantly improving data expansion tasks. DistDiff consistently enhances accuracy across a diverse range of datasets compared to models trained solely on original data. Furthermore, our approach consistently outperforms existing synthesis-based techniques and demonstrates compatibility with widely adopted transformation-based augmentation methods. Additionally, the expanded dataset exhibits robustness across various architectural frameworks.

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.

Black-box optimization (BBO) has a broad range of applications, including automatic machine learning, experimental design, and database knob tuning. However, users still face challenges when applying BBO methods to their problems at hand with existing software packages in terms of applicability, performance, and efficiency. This paper presents OpenBox, an open-source BBO toolkit with improved usability. It implements user-friendly interfaces and visualization for users to define and manage their tasks. The modular design behind OpenBox facilitates its flexible deployment in existing systems. Experimental results demonstrate the effectiveness and efficiency of OpenBox over existing systems. The source code of OpenBox is available at https://github.com/PKU-DAIR/open-box.

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.

Designing neural architectures requires immense manual efforts. This has promoted the development of neural architecture search (NAS) to automate the design. While previous NAS methods achieve promising results but run slowly, zero-cost proxies run extremely fast but are less promising. Therefore, it’s of great potential to accelerate NAS via those zero-cost proxies. The existing method has two limitations, which are unforeseeable reliability and one-shot usage. To address the limitations, we present ProxyBO, an efficient Bayesian optimization (BO) framework that utilizes the zero-cost proxies to accelerate neural architecture search. We apply the generalization ability measurement to estimate the fitness of proxies on the task during each iteration and design a novel acquisition function to combine BO with zero-cost proxies based on their dynamic influence. Extensive empirical studies show that ProxyBO consistently outperforms competitive baselines on five tasks from three public benchmarks. Concretely, ProxyBO achieves up to 5.41× and 3.86× speedups over the state-of-the-art approaches REA and BRP-NAS.

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.

Diffusion models are a new class of generative models, and have dramatically promoted image generation with unprecedented quality and diversity. Existing diffusion models mainly try to reconstruct input image from a corrupted one with a pixel-wise or feature-wise constraint along spatial axes. However, such point-based reconstruction may fail to make each predicted pixel/feature fully preserve its neighborhood context, impairing diffusion-based image synthesis. As a powerful source of automatic supervisory signal, context has been well studied for learning representations. Inspired by this, we for the first time propose ConPreDiff to improve diffusion-based image synthesis with context prediction. We explicitly reinforce each point to predict its neighborhood context (i.e., multi-stride pixels/features) with a context decoder at the end of diffusion denoising blocks in training stage, and remove the decoder for inference. In this way, each point can better reconstruct itself by preserving its semantic connections with neighborhood context. This new paradigm of ConPreDiff can generalize to arbitrary discrete and continuous diffusion backbones without introducing extra parameters in sampling procedure. Extensive experiments are conducted on unconditional image generation, text-to-image generation and image inpainting tasks. Our ConPreDiff consistently outperforms previous methods and achieves new SOTA text-to-image generation results on MS-COCO, with a zero-shot FID score of 6.21.

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.

Graph neural networks (GNNs) have been intensively applied to various graph-based applications. Despite their success, designing good GNN architectures is non-trivial, which heavily relies on lots of human efforts and domain knowledge. Although several attempts have been made in graph neural architecture search, they suffer from the following limitations: 1) fixed pipeline pattern of propagation (P) and (T) transformation operations; 2) restricted pipeline depth of GNN architectures. This paper proposes DFG-NAS, a novel method that searches for deep and flexible GNN architectures. Unlike most existing methods that focus on micro-architecture, DFG-NAS highlights another level of design: the search for macro-architectures of how atomic P and T are integrated and organized into a GNN. Concretely, DFG-NAS proposes a novel-designed search space for the P-T permutations and combinations based on the message-passing dis-aggregation, and defines various mutation strategies and employs the evolutionary algorithm to conduct an efficient and effective search. Empirical studies on four benchmark datasets demonstrate that DFG-NAS could find more powerful architectures than state-of-the-art manual designs and meanwhile are more efficient than the current graph neural architecture search approaches.

Recently, graph neural networks (GNNs) have shown prominent performance in graph representation learning by leveraging knowledge from both graph structure and node features. However, most of them have two major limitations. First, GNNs can learn higher-order structural information by stacking more layers but can not deal with large depth due to the over-smoothing issue. Second, it is not easy to apply these methods on large graphs due to the expensive computation cost and high memory usage. In this paper, we present node-adaptive feature smoothing (NAFS), a simple non-parametric method that constructs node representations without parameter learning. NAFS first extracts the features of each node with its neighbors of different hops by feature smoothing, and then adaptively combines the smoothed features. Besides, the constructed node representation can further be enhanced by the ensemble of smoothed features extracted via different smoothing strategies. We conduct experiments on four benchmark datasets on two different application scenarios: node clustering and link prediction. Remarkably, NAFS with feature ensemble outperforms the state-of-the-art GNNs on these tasks and mitigates the aforementioned two limitations of most learning-based GNN counterparts.

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.

The Combined Algorithm Selection and Hyperparameters optimization (CASH) problem is one of the fundamental problems in Automated Machine Learning (AutoML). Motivated by the success of ensemble learning, recent AutoML systems build post-hoc ensembles to output the final predictions instead of using the best single learner. However, while most CASH methods focus on searching for a single learner with the best performance, they neglect the diversity among base learners (i.e., they may suggest similar configurations to previously evaluated ones), which is also a crucial consideration when building an ensemble. To tackle this issue and further enhance the ensemble performance, we propose DivBO, a diversity-aware framework to inject explicit search of diversity into the CASH problems. In the framework, we propose to use a diversity surrogate to predict the pair-wise diversity of two unseen configurations. Furthermore, we introduce a temporary pool and a weighted acquisition function to guide the search of both performance and diversity based on Bayesian optimization. Empirical results on 15 public datasets show that DivBO achieves the best average ranks (1.82 and 1.73) on both validation and test errors among 10 compared methods, including post-hoc designs in recent AutoML systems and state-of-the-art baselines for ensemble learning on CASH problems.

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.

MOTIVATION: The emergence of next-generation sequencing techniques opens up tremendous opportunities for researchers to uncover the basic mechanisms of disease at the molecular level. Recently, automatic machine learning (AutoML) frameworks have been employed for genomic and epigenomic data analysis. However, to analyze those high-dimensional data, existing AutoML frameworks suffer from the following issues: (i) they could not effectively filter out the redundant features from the original data, and (ii) they usually obey the rule of feature engineering first and algorithm hyper-parameter tuning later to build the machine learning pipeline, which could lead to sub-optimal outcomes. Thus, it is an urgent need to design a new AutoML framework for high-dimensional omics data analysis. RESULTS: We introduce a new method: AutoDC, a tailored AutoML framework, for different disease classification based on gene expression data. AutoDC designs two novel optimization strategies to improve the performance. One is that AutoDC designs a novel two-stage feature selection method to select the features with high gene contribution scores. The other is that AutoDC proposes a novel optimization method, based on a two-layer Multi-Armed Bandit framework, to jointly optimize the feature engineering, algorithm selection and algorithm hyper-parameter tuning. We apply our framework to two public gene expression datasets. Compared with three state-of-the-art AutoML frameworks, AutoDC could effectively classify diseases with higher predictive accuracy. AVAILABILITY AND IMPLEMENTATION: The data and codes of AutoDC are available at https://github.com/dingdian110/AutoDC. The data underlying this article are available in the article and in its online supplementary material. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.

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.

Message passing is the core of most graph models such as Graph Convolutional Network (GCN) and Label Propagation (LP), which usually require a large number of clean labeled data to smooth out the neighborhood over the graph. However, the labeling process can be tedious, costly, and error-prone in practice. In this paper, we propose to unify active learning (AL) and message passing towards minimizing labeling costs, e.g., making use of few and unreliable labels that can be obtained cheaply. We make two contributions towards that end. First, we open up a perspective by drawing a connection between AL enforcing message passing and social influence maximization, ensuring that the selected samples effectively improve the model performance. Second, we propose an extension to the influence model that incorporates an explicit quality factor to model label noise. In this way, we derive a fundamentally new AL selection criterion for GCN and LP--reliable influence maximization (RIM)--by considering quantity and quality of influence simultaneously. Empirical studies on public datasets show that RIM significantly outperforms current AL methods in terms of accuracy and efficiency.

Recent works reveal that feature or label smoothing lies at the core of Graph Neural Networks (GNNs). Concretely, they show feature smoothing combined with simple linear regression achieves comparable performance with the carefully designed GNNs, and a simple MLP model with label smoothing of its prediction can outperform the vanilla GCN. Though an interesting finding, smoothing has not been well understood, especially regarding how to control the extent of smoothness. Intuitively, too small or too large smoothing iterations may cause under-smoothing or over-smoothing and can lead to sub-optimal performance. Moreover, the extent of smoothness is node-specific, depending on its degree and local structure. To this end, we propose a novel algorithm called node-dependent local smoothing (NDLS), which aims to control the smoothness of every node by setting a node-specific smoothing iteration. Specifically, NDLS computes influence scores based on the adjacency matrix and selects the iteration number by setting a threshold on the scores. Once selected, the iteration number can be applied to both feature smoothing and label smoothing. Experimental results demonstrate that NDLS enjoys high accuracy -- state-of-the-art performance on node classifications tasks, flexibility -- can be incorporated with any models, scalability and efficiency -- can support large scale graphs with fast training.

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.