Wentao Zhang

Huaijun Jiang, Yu Shen, Yang Li et al. · eth-zurich

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.

Xinyi Gao, Tong Chen, Yilong Zang et al.

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 121.5x inference speedup and 55.9x reduction in storage requirements compared with counterparts based on the original graph.

Bowen Jin, Wentao Zhang, Yu Zhang et al.

In real-world scenarios, texts in a graph are often linked by multiple semantic relations (e.g., papers in an academic graph are referenced by other publications, written by the same author, or published in the same venue), where text documents and their relations form a multiplex text-attributed graph. Mainstream text representation learning methods use pretrained language models (PLMs) to generate one embedding for each text unit, expecting that all types of relations between texts can be captured by these single-view embeddings. However, this presumption does not hold particularly in multiplex text-attributed graphs. Along another line of work, multiplex graph neural networks (GNNs) directly initialize node attributes as a feature vector for node representation learning, but they cannot fully capture the semantics of the nodes' associated texts. To bridge these gaps, we propose METAG, a new framework for learning Multiplex rEpresentations on Text-Attributed Graphs. In contrast to existing methods, METAG uses one text encoder to model the shared knowledge across relations and leverages a small number of parameters per relation to derive relation-specific representations. This allows the encoder to effectively capture the multiplex structures in the graph while also preserving parameter efficiency. We conduct experiments on nine downstream tasks in five graphs from both academic and e-commerce domains, where METAG outperforms baselines significantly and consistently. The code is available at https://github.com/PeterGriffinJin/METAG.

Tianyi Bai, Yang Li, Yu Shen et al. · pku, tencent-ai

A wide spectrum of design and decision problems, including parameter tuning, A/B testing and drug design, intrinsically are instances of black-box optimization. Bayesian optimization (BO) is a powerful tool that models and optimizes such expensive "black-box" functions. However, at the beginning of optimization, vanilla Bayesian optimization methods often suffer from slow convergence issue due to inaccurate modeling based on few trials. To address this issue, researchers in the BO community propose to incorporate the spirit of transfer learning to accelerate optimization process, which could borrow strength from the past tasks (source tasks) to accelerate the current optimization problem (target task). This survey paper first summarizes transfer learning methods for Bayesian optimization from four perspectives: initial points design, search space design, surrogate model, and acquisition function. Then it highlights its methodological aspects and technical details for each approach. Finally, it showcases a wide range of applications and proposes promising future directions.

Wentao Zhang, Zeang Sheng, Mingyu Yang et al. · pku, tencent-ai

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.

Xinyi Gao, Wentao Zhang, Tong Chen et al.

Heterogeneous graph neural networks (HGNNs) have exhibited exceptional efficacy in modeling the complex heterogeneity in heterogeneous information networks (HINs). The critical advantage of HGNNs is their ability to handle diverse node and edge types in HINs by extracting and utilizing the abundant semantic information for effective representation learning. However, as a widespread phenomenon in many real-world scenarios, the class-imbalance distribution in HINs creates a performance bottleneck for existing HGNNs. Apart from the quantity imbalance of nodes, another more crucial and distinctive challenge in HINs is semantic imbalance. Minority classes in HINs often lack diverse and sufficient neighbor nodes, resulting in biased and incomplete semantic information. This semantic imbalance further compounds the difficulty of accurately classifying minority nodes, leading to the performance degradation of HGNNs. To tackle the imbalance of minority classes and supplement their inadequate semantics, we present the first method for the semantic imbalance problem in imbalanced HINs named Semantic-aware Node Synthesis (SNS). By assessing the influence on minority classes, SNS adaptively selects the heterogeneous neighbor nodes and augments the network with synthetic nodes while preserving the minority semantics. In addition, we introduce two regularization approaches for HGNNs that constrain the representation of synthetic nodes from both semantic and class perspectives to effectively suppress the potential noises from synthetic nodes, facilitating more expressive embeddings for classification. The comprehensive experimental study demonstrates that SNS consistently outperforms existing methods by a large margin in different benchmark datasets.

Yingxia Shao, Hongzheng Li, Xizhi Gu et al.

Graph neural networks (GNNs) are a type of deep learning models that are trained on graphs and have been successfully applied in various domains. Despite the effectiveness of GNNs, it is still challenging for GNNs to efficiently scale to large graphs. As a remedy, distributed computing becomes a promising solution of training large-scale GNNs, since it is able to provide abundant computing resources. However, the dependency of graph structure increases the difficulty of achieving high-efficiency distributed GNN training, which suffers from the massive communication and workload imbalance. In recent years, many efforts have been made on distributed GNN training, and an array of training algorithms and systems have been proposed. Yet, there is a lack of systematic review on the optimization techniques for the distributed execution of GNN training. In this survey, we analyze three major challenges in distributed GNN training that are massive feature communication, the loss of model accuracy and workload imbalance. Then we introduce a new taxonomy for the optimization techniques in distributed GNN training that address the above challenges. The new taxonomy classifies existing techniques into four categories that are GNN data partition, GNN batch generation, GNN execution model, and GNN communication protocol. We carefully discuss the techniques in each category. In the end, we summarize existing distributed GNN systems for multi-GPUs, GPU-clusters and CPU-clusters, respectively, and give a discussion about the future direction on distributed GNN training.

Xinyi Gao, Wentao Zhang, Yingxia Shao et al.

Graph neural networks (GNNs) have demonstrated excellent performance in a wide range of applications. However, the enormous size of large-scale graphs hinders their applications under real-time inference scenarios. 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 is known and fixed. To speed up the inference in the inductive setting, we propose a novel adaptive propagation order approach that generates the personalized propagation order for each node based on its topological information. This could successfully avoid the redundant computation of feature propagation. Moreover, the trade-off between accuracy and inference latency can be flexibly controlled by simple hyper-parameters to match different latency constraints of application scenarios. To compensate for the potential inference accuracy loss, we further propose Inception Distillation to exploit the multi scale reception information and improve the inference performance. Extensive experiments are conducted on four public datasets with different scales and characteristics, and the experimental results show that our proposed inference acceleration framework outperforms the SOTA graph inference acceleration baselines in terms of both accuracy and efficiency. In particular, the advantage of our proposed method is more significant on larger-scale datasets, and our framework achieves $75\times$ inference speedup on the largest Ogbn-products dataset.

Yuezihan Jiang, Yu Cheng, Hanyu Zhao et al.

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.

Xinyi Gao, Wentao Zhang, Junliang Yu et al.

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 75x inference speedup on the largest Ogbn-products dataset.

Penghao Zhao, Hailin Zhang, Qinhan Yu et al.

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 technique 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 enhancements methods for RAG, facilitating effective engineering and implementation of RAG systems. Then from another view, we survey on 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. Github: https://github.com/PKU-DAIR/RAG-Survey.

Hao Liang, Linzhuang Sun, Minxuan Zhou et al.

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 state-of-the-art 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.

Yuxiang Wang, Xiao Yan, Chuang Hu et al.

For graph self-supervised learning (GSSL), masked autoencoder (MAE) follows the generative paradigm and learns to reconstruct masked graph edges or node features. Contrastive Learning (CL) maximizes the similarity between augmented views of the same graph and is widely used for GSSL. However, MAE and CL are considered separately in existing works for GSSL. 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 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.

Miao Zheng, Hao Liang, Fan Yang et al.

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 complementary 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. PAS excels in human evaluations, underscoring its suitability as a plug-in for users. This combination of high performance, efficiency, and flexibility makes PAS a valuable system for enhancing the usability and effectiveness of LLMs through improved prompt engineering.

Xuchen Li, Ruitao Wu, Xuanbo Liu et al.

Recent advances in large language models have enabled AI systems to achieve expert-level performance on domain-specific scientific tasks, yet these systems remain narrow and handcrafted. We introduce SciAgent, a unified multi-agent system designed for generalistic scientific reasoning-the ability to adapt reasoning strategies across disciplines and difficulty levels. SciAgent organizes problem solving as a hierarchical process: a Coordinator Agent interprets each problem's domain and complexity, dynamically orchestrating specialized Worker Systems, each composed of interacting reasoning Sub-agents for symbolic deduction, conceptual modeling, numerical computation, and verification. These agents collaboratively assemble and refine reasoning pipelines tailored to each task. Across mathematics and physics Olympiads (IMO, IMC, IPhO, CPhO), SciAgent consistently attains or surpasses human gold-medalist performance, demonstrating both domain generality and reasoning adaptability. Additionally, SciAgent has been tested on the International Chemistry Olympiad (IChO) and selected problems from the Humanity's Last Exam (HLE) benchmark, further confirming the system's ability to generalize across diverse scientific domains. This work establishes SciAgent as a concrete step toward generalistic scientific intelligence-AI systems capable of coherent, cross-disciplinary reasoning at expert levels.

Xinyi Gao, Junliang Yu, Tong Chen et al.

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. The related resources can be found at https://github.com/XYGaoG/Graph-Condensation-Papers.

Linzhuang Sun, Hao Liang, Jingxuan Wei et al.

In recent years, with the rapid advancements in large language models (LLMs), achieving excellent empathetic response capability has become a crucial prerequisite. Consequently, managing and understanding large-scale video datasets has gained increasing importance. However, empathetic data are typically trained without any quality selection, leading to inefficient data usage and wasted computational resources. Additionally, using raw data can result in low performance in empathetic dialogues. In this work, we present Efficient-Empathy, a sensibility and rationality score-based data selection algorithm that automatically selects sensibility and rationality data while discarding low-quality data. With only the sensibility data (59% of the full dataset), our trained sensibility model efficiently achieves state-of-the-art (SoTA) performance. Furthermore, with multiple data selection hyperparameters, the sensibility model demonstrates SoTA performance, showcasing the robustness of our method. By integrating sensibility and rationality data with a MoE structure, we achieve even higher performance, demonstrating the effectiveness of our Efficient-Empathy algorithm.

Youquan Li, Miao Zheng, Fan Yang et al.

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 inputs 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. Code and datasets are available at https://github.com/PKU-Baichuan-MLSystemLab/FB-Bench.

Wentao Zhang, Shuang Xu, Haoran Huang

Selecting an appropriate response from many candidates given the utterances in a multi-turn dialogue is the key problem for a retrieval-based dialogue system. Existing work formalizes the task as matching between the utterances and a candidate and uses the cross-entropy loss in learning of the model. This paper applies contrastive learning to the problem by using the supervised contrastive loss. In this way, the learned representations of positive examples and representations of negative examples can be more distantly separated in the embedding space, and the performance of matching can be enhanced. We further develop a new method for supervised contrastive learning, referred to as two-level supervised contrastive learning, and employ the method in response selection in multi-turn dialogue. Our method exploits two techniques: sentence token shuffling (STS) and sentence re-ordering (SR) for supervised contrastive learning. Experimental results on three benchmark datasets demonstrate that the proposed method significantly outperforms the contrastive learning baseline and the state-of-the-art methods for the task.

Wei Shi, Wentao Zhang, Weishi Zheng et al.

There is an increasing demand for interpretation of model predictions especially in high-risk applications. Various visualization approaches have been proposed to estimate the part of input which is relevant to a specific model prediction. However, most approaches require model structure and parameter details in order to obtain the visualization results, and in general much effort is required to adapt each approach to multiple types of tasks particularly when model backbone and input format change over tasks. In this study, a simple yet effective visualization framework called PAMI is proposed based on the observation that deep learning models often aggregate features from local regions for model predictions. The basic idea is to mask majority of the input and use the corresponding model output as the relative contribution of the preserved input part to the original model prediction. For each input, since only a set of model outputs are collected and aggregated, PAMI does not require any model detail and can be applied to various prediction tasks with different model backbones and input formats. Extensive experiments on multiple tasks confirm the proposed method performs better than existing visualization approaches in more precisely finding class-specific input regions, and when applied to different model backbones and input formats. The source code will be released publicly.

Wentao Zhang, Lingxuan Zhao, Haochong Xia et al.

Financial trading is a crucial component of the markets, informed by a multimodal information landscape encompassing news, prices, and Kline charts, and encompasses diverse tasks such as quantitative trading and high-frequency trading with various assets. While advanced AI techniques like deep learning and reinforcement learning are extensively utilized in finance, their application in financial trading tasks often faces challenges due to inadequate handling of multimodal data and limited generalizability across various tasks. To address these challenges, we present FinAgent, a multimodal foundational agent with tool augmentation for financial trading. FinAgent's market intelligence module processes a diverse range of data-numerical, textual, and visual-to accurately analyze the financial market. Its unique dual-level reflection module not only enables rapid adaptation to market dynamics but also incorporates a diversified memory retrieval system, enhancing the agent's ability to learn from historical data and improve decision-making processes. The agent's emphasis on reasoning for actions fosters trust in its financial decisions. Moreover, FinAgent integrates established trading strategies and expert insights, ensuring that its trading approaches are both data-driven and rooted in sound financial principles. With comprehensive experiments on 6 financial datasets, including stocks and Crypto, FinAgent significantly outperforms 9 state-of-the-art baselines in terms of 6 financial metrics with over 36% average improvement on profit. Specifically, a 92.27% return (a 84.39% relative improvement) is achieved on one dataset. Notably, FinAgent is the first advanced multimodal foundation agent designed for financial trading tasks.

Bozhou Li, Wentao Zhang

Currently, a prevalent approach for enhancing Vision-Language Models (VLMs) performance is to encode both the high-resolution version and the thumbnail of an image simultaneously. While effective, this method generates a large number of image tokens. When combined with the widely used Rotary Position Embedding (RoPE), its long-term decay property hinders the interaction between high-resolution tokens and thumbnail tokens, as well as between text and image. To address these issues, we propose ID-Align, which alleviates these problems by reordering position IDs. In this method, high-resolution tokens inherit IDs from their corresponding thumbnail token while constraining the overexpansion of positional indices. Our experiments conducted within the LLaVA-Next framework demonstrate that ID-Align achieves significant improvements, including a 6.09% enhancement on MMBench's relation reasoning tasks and notable gains across multiple benchmarks. Our code is available at the following link: https://github.com/zooblastlbz/ID-Align.

Ling Yang, Zhaochen Yu, Tianjun Zhang et al.

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. Notably, we find that our Llama3-8B+BoT has the potential to surpass Llama3-70B model. Our project is available at: https://github.com/YangLing0818/buffer-of-thought-llm

Daya Guo, Qihao Zhu, Dejian Yang et al.

The rapid development of large language models has revolutionized code intelligence in software development. However, the predominance of closed-source models has restricted extensive research and development. To address this, we introduce the DeepSeek-Coder series, a range of open-source code models with sizes from 1.3B to 33B, trained from scratch on 2 trillion tokens. These models are pre-trained on a high-quality project-level code corpus and employ a fill-in-the-blank task with a 16K window to enhance code generation and infilling. Our extensive evaluations demonstrate that DeepSeek-Coder not only achieves state-of-the-art performance among open-source code models across multiple benchmarks but also surpasses existing closed-source models like Codex and GPT-3.5. Furthermore, DeepSeek-Coder models are under a permissive license that allows for both research and unrestricted commercial use.

Xunkai Li, Yulin Zhao, Zhengyu Wu et al.

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 \underline{\textbf{M}}utual \underline{\textbf{E}}volution \underline{\textbf{G}}raph \underline{\textbf{U}}nlearning (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.

Xunkai Li, Jingyuan Ma, Zhengyu Wu et al.

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 in graphs 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 neglect local contexts may compromise the quality of node representations. This intricate topology in web-scale graphs cannot be matched by small-scale scenarios. To address the above issues, we propose \textbf{A}daptive \textbf{T}opology-aware \textbf{P}ropagation (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 remain orthogonal to existing node-wise propagation optimization strategies. Extensive experiments on 12 datasets, including the most representative large-scale ogbn-papers100M, have demonstrated the effectiveness of ATP. Specifically, ATP has proven to be efficient in improving the performance of prevalent scalable GNNs for semi-supervised node classification while addressing redundant computational costs.

Xunkai Li, Meihao Liao, Zhengyu Wu et al.

Most existing graph neural networks (GNNs) are limited to undirected graphs, whose restricted scope of the captured relational information hinders their expressive capabilities and deployments in real-world scenarios. Compared with undirected graphs, directed graphs (digraphs) fit the demand for modeling more complex topological systems by capturing more intricate relationships between nodes, such as formulating transportation and financial networks. 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 utilizes directed information to achieve 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 training efficiency. Notably, LightDiC is the first DiGNN to provide satisfactory results in the most representative large-scale database (ogbn-papers100M).

Guochen Yan, Luyuan Xie, Xinyi Gao et al.

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: \textbf{Fed}erated learning via \textbf{V}aluable \textbf{C}ondensed \textbf{K}nowledge (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.

Yaqi Zhao, Yuanyang Yin, Lin Li et al.

Does seeing always mean knowing? Large Vision-Language Models (LVLMs) integrate separately pre-trained vision and language components, often using CLIP-ViT as vision backbone. However, these models frequently encounter a core issue of "cognitive misalignment" between the vision encoder (VE) and the large language model (LLM). Specifically, the VE's representation of visual information may not fully align with LLM's cognitive framework, leading to a mismatch where visual features exceed the language model's interpretive range. To address this, we investigate how variations in VE representations influence LVLM comprehension, especially when the LLM faces VE-Unknown data-images whose ambiguous visual representations challenge the VE's interpretive precision. Accordingly, we construct a multi-granularity landmark dataset and systematically examine the impact of VE-Known and VE-Unknown data on interpretive abilities. Our results show that VE-Unknown data limits LVLM's capacity for accurate understanding, while VE-Known data, rich in distinctive features, helps reduce cognitive misalignment. Building on these insights, we propose Entity-Enhanced Cognitive Alignment (EECA), a method that employs multi-granularity supervision to generate visually enriched, well-aligned tokens that not only integrate within the LLM's embedding space but also align with the LLM's cognitive framework. This alignment markedly enhances LVLM performance in landmark recognition. Our findings underscore the challenges posed by VE-Unknown data and highlight the essential role of cognitive alignment in advancing multimodal systems.

Rui Sun, Zuo Bai, Wentao Zhang et al.

Recently, AI agents are rapidly evolving in intelligence and widely used in professional research applications, such as STEM, software development, and finance. Among these AI agents, deep research agent is a key category as it can perform long-horizon tasks and solve problems of greater complexity. However, there are few evaluation frameworks and benchmarks that systematically and automatically investigate the capabilities of these research agents. In addition, financial research problems have distinct complexity and subtlety. To fill in the gap, we propose FinResearchBench, which is a logic tree-based Agent-as-a-Judge and targets specifically for the financial research agents. It provides a comprehensive and automatic assessment of the research agents across 7 key types of tasks in the financial research domain. The contributions of this work are two-folded: (1) the first and innovative Agent-as-a-Judge system that extracts the logic tree of the research outcome and uses it as the intermediate information to present a comprehensive, reliable, and robust evaluation; (2) finance-oriented that it covers 70 typical financial research questions, spreading across 7 frequently encountered types of task in the domain.

Tianyi Bai, Yuxuan Fan, Jiantao Qiu et al.

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.

Yuying Li, Siyi Qian, Hao Liang et al.

Geometric reasoning remains a core challenge for Multimodal Large Language Models (MLLMs). Even the most advanced closed-source systems, such as GPT-O3 and Gemini-2.5-Pro, still struggle to solve geometry problems reliably, despite exhibiting strong textual reasoning abilities on tasks like the International Mathematical Olympiad (IMO). This gap suggests that the bottleneck lies in understanding geometric diagrams rather than reasoning itself. Since geometric figures can often be faithfully described in concise textual form, converting visual content into captions offers a promising direction. Motivated by this insight, we introduce CapGeo, a caption-assisted reasoning framework that bridges visual and textual modalities. Experiments show substantial improvements when models are equipped with captions: Qwen2.5-VL-72B improves from 8.6% (vision-only) to 59.0%, while Claude-Opus-4 rises from 44.8% to 73.0%. To systematically evaluate and identify high-quality geometric captioning models, we further propose CapGeo-Bench, a dataset of 4,641 curated figure-caption pairs. Crucially, CapGeo-Bench incorporates a keypoint-based evaluation metric that correlates strongly with downstream CapGeo performance, enabling reliable assessment of geometric captioning ability. Together, our framework and benchmark highlight a new pathway toward advancing geometric reasoning in MLLMs.

Haoyu Zhang, Wentao Zhang, Hao Miao et al.

Spatio-Temporal Graph Neural Networks (STGNNs) have emerged as a powerful tool for modeling dynamic graph-structured data across diverse domains. However, they often fail to generalize in Spatio-Temporal Out-of-Distribution (STOOD) scenarios, where both temporal dynamics and spatial structures evolve beyond the training distribution. To address this problem, we propose an innovative Spatio-Temporal Retrieval-Augmented Pattern Learning framework,STRAP, which enhances model generalization by integrating retrieval-augmented learning into the STGNN continue learning pipeline. The core of STRAP is a compact and expressive pattern library that stores representative spatio-temporal patterns enriched with historical, structural, and semantic information, which is obtained and optimized during the training phase. During inference, STRAP retrieves relevant patterns from this library based on similarity to the current input and injects them into the model via a plug-and-play prompting mechanism. This not only strengthens spatio-temporal representations but also mitigates catastrophic forgetting. Moreover, STRAP introduces a knowledge-balancing objective to harmonize new information with retrieved knowledge. Extensive experiments across multiple real-world streaming graph datasets show that STRAP consistently outperforms state-of-the-art STGNN baselines on STOOD tasks, demonstrating its robustness, adaptability, and strong generalization capability without task-specific fine-tuning.

Weihao Tan, Wentao Zhang, Shanqi Liu et al.

Despite the impressive performance across numerous tasks, large language models (LLMs) often fail in solving simple decision-making tasks due to the misalignment of the knowledge in LLMs with environments. On the contrary, reinforcement learning (RL) agents learn policies from scratch, which makes them always align with environments but difficult to incorporate prior knowledge for efficient explorations. To narrow the gap, we propose TWOSOME, a novel general online framework that deploys LLMs as decision-making agents to efficiently interact and align with embodied environments via RL without requiring any prepared datasets or prior knowledge of the environments. Firstly, we query the joint probabilities of each valid action with LLMs to form behavior policies. Then, to enhance the stability and robustness of the policies, we propose two normalization methods and summarize four prompt design principles. Finally, we design a novel parameter-efficient training architecture where the actor and critic share one frozen LLM equipped with low-rank adapters (LoRA) updated by PPO. We conduct extensive experiments to evaluate TWOSOME. i) TWOSOME exhibits significantly better sample efficiency and performance compared to the conventional RL method, PPO, and prompt tuning method, SayCan, in both classical decision-making environment, Overcooked, and simulated household environment, VirtualHome. ii) Benefiting from LLMs' open-vocabulary feature, TWOSOME shows superior generalization ability to unseen tasks. iii) Under our framework, there is no significant loss of the LLMs' original ability during online PPO finetuning.

Shicheng Gao, Jie Xu, Xiaosen Li et al.

K-core decomposition is a commonly used metric to analyze graph structure or study the relative importance of nodes in complex graphs. Recent years have seen rapid growth in the scale of the graph, especially in industrial settings. For example, our industrial partner runs popular social applications with billions of users and is able to gather a rich set of user data. As a result, applying K-core decomposition on large graphs has attracted more and more attention from academics and the industry. A simple but effective method to deal with large graphs is to train them in the distributed settings, and some distributed K-core decomposition algorithms are also proposed. Despite their effectiveness, we experimentally and theoretically observe that these algorithms consume too many resources and become unstable on super-large-scale graphs, especially when the given resources are limited. In this paper, we deal with those super-large-scale graphs and propose a divide-and-conquer strategy on top of the distributed K-core decomposition algorithm. We evaluate our approach on three large graphs. The experimental results show that the consumption of resources can be significantly reduced, and the calculation on large-scale graphs becomes more stable than the existing methods. For example, the distributed K-core decomposition algorithm can scale to a large graph with 136 billion edges without losing correctness with our divide-and-conquer technique.

Wentao Zhang, Ziqi Yin, Zeang Sheng et al.

Graph neural networks (GNNs) have recently achieved state-of-the-art performance in many graph-based applications. Despite the high expressive power, they typically need to perform an expensive recursive neighborhood expansion in multiple training epochs and face a scalability issue. Moreover, most of them are inflexible since they are restricted to fixed-hop neighborhoods and insensitive to actual receptive field demands for different nodes. We circumvent these limitations by introducing a scalable and flexible Graph Attention Multilayer Perceptron (GAMLP). With the separation of the non-linear transformation and feature propagation, GAMLP significantly improves the scalability and efficiency by performing the propagation procedure in a pre-compute manner. With three principled receptive field attention, each node in GAMLP is flexible and adaptive in leveraging the propagated features over the different sizes of reception field. We conduct extensive evaluations on the three large open graph benchmarks (e.g., ogbn-papers100M, ogbn-products and ogbn-mag), demonstrating that GAMLP not only achieves the state-of-art performance, but also additionally provide high scalability and efficiency.