Xin Wang

Yingji Li, Mengnan Du, Rui Song et al.

Large Language Models (LLMs) have shown powerful performance and development prospects and are widely deployed in the real world. However, LLMs can capture social biases from unprocessed training data and propagate the biases to downstream tasks. Unfair LLM systems have undesirable social impacts and potential harms. In this paper, we provide a comprehensive review of related research on fairness in LLMs. Considering the influence of parameter magnitude and training paradigm on research strategy, we divide existing fairness research into oriented to medium-sized LLMs under pre-training and fine-tuning paradigms and oriented to large-sized LLMs under prompting paradigms. First, for medium-sized LLMs, we introduce evaluation metrics and debiasing methods from the perspectives of intrinsic bias and extrinsic bias, respectively. Then, for large-sized LLMs, we introduce recent fairness research, including fairness evaluation, reasons for bias, and debiasing methods. Finally, we discuss and provide insight on the challenges and future directions for the development of fairness in LLMs.

Chen hao, Xie Runfeng, Cui Xiangyang et al.

Accurately recommending candidate news articles to users is a basic challenge faced by personalized news recommendation systems. Traditional methods are usually difficult to grasp the complex semantic information in news texts, resulting in unsatisfactory recommendation results. Besides, these traditional methods are more friendly to active users with rich historical behaviors. However, they can not effectively solve the "long tail problem" of inactive users. To address these issues, this research presents a novel general framework that combines Large Language Models (LLM) and Knowledge Graphs (KG) into semantic representations of traditional methods. In order to improve semantic understanding in complex news texts, we use LLMs' powerful text understanding ability to generate news representations containing rich semantic information. In addition, our method combines the information about news entities and mines high-order structural information through multiple hops in KG, thus alleviating the challenge of long tail distribution. Experimental results demonstrate that compared with various traditional models, the framework significantly improves the recommendation effect. The successful integration of LLM and KG in our framework has established a feasible path for achieving more accurate personalized recommendations in the news field. Our code is available at https://github.com/Xuan-ZW/LKPNR.

Ziwei Zhang, Yijian Qin, Zeyang Zhang et al.

Recent years have witnessed an upsurge in research interests and applications of machine learning on graphs. However, manually designing the optimal machine learning algorithms for different graph datasets and tasks is inflexible, labor-intensive, and requires expert knowledge, limiting its adaptivity and applicability. Automated machine learning (AutoML) on graphs, aiming to automatically design the optimal machine learning algorithm for a given graph dataset and task, has received considerable attention. However, none of the existing libraries can fully support AutoML on graphs. To fill this gap, we present Automated Graph Learning (AutoGL), the first dedicated library for automated machine learning on graphs. AutoGL is open-source, easy to use, and flexible to be extended. Specifically, we propose a three-layer architecture, consisting of backends to interface with devices, a complete automated graph learning pipeline, and supported graph applications. The automated machine learning pipeline further contains five functional modules: auto feature engineering, neural architecture search, hyper-parameter optimization, model training, and auto ensemble, covering the majority of existing AutoML methods on graphs. For each module, we provide numerous state-of-the-art methods and flexible base classes and APIs, which allow easy usage and customization. We further provide experimental results to showcase the usage of our AutoGL library. We also present AutoGL-light, a lightweight version of AutoGL to facilitate customizing pipelines and enriching applications, as well as benchmarks for graph neural architecture search. The codes of AutoGL are publicly available at https://github.com/THUMNLab/AutoGL.

Chendi Ge, Xin Wang, Zeyang Zhang et al. · tsinghua

Continual multimodal instruction tuning is crucial for adapting Multimodal Large Language Models (MLLMs) to evolving tasks. However, most existing methods adopt a fixed architecture, struggling with adapting to new tasks due to static model capacity. We propose to evolve the architecture under parameter budgets for dynamic task adaptation, which remains unexplored and imposes two challenges: 1) task architecture conflict, where different tasks require varying layer-wise adaptations, and 2) modality imbalance, where different tasks rely unevenly on modalities, leading to unbalanced updates. To address these challenges, we propose a novel Dynamic Mixture of Curriculum LoRA Experts (D-MoLE) method, which automatically evolves MLLM's architecture with controlled parameter budgets to continually adapt to new tasks while retaining previously learned knowledge. Specifically, we propose a dynamic layer-wise expert allocator, which automatically allocates LoRA experts across layers to resolve architecture conflicts, and routes instructions layer-wisely to facilitate knowledge sharing among experts. Then, we propose a gradient-based inter-modal continual curriculum, which adjusts the update ratio of each module in MLLM based on the difficulty of each modality within the task to alleviate the modality imbalance problem. Extensive experiments show that D-MoLE significantly outperforms state-of-the-art baselines, achieving a 15% average improvement over the best baseline. To the best of our knowledge, this is the first study of continual learning for MLLMs from an architectural perspective.

Weichen Zhang, Ruiying Peng, Chen Gao et al.

3D Large Language Models (LLMs) leveraging spatial information in point clouds for 3D spatial reasoning attract great attention. Despite some promising results, the role of point clouds in 3D spatial reasoning remains under-explored. In this work, we comprehensively evaluate and analyze these models to answer the research question: \textit{Does point cloud truly boost the spatial reasoning capacities of 3D LLMs?} We first evaluate the spatial reasoning capacity of LLMs with different input modalities by replacing the point cloud with the visual and text counterparts. We then propose a novel 3D QA (Question-answering) benchmark, ScanReQA, that comprehensively evaluates models' understanding of binary spatial relationships. Our findings reveal several critical insights: 1) LLMs without point input could even achieve competitive performance even in a zero-shot manner; 2) existing 3D LLMs struggle to comprehend the binary spatial relationships; 3) 3D LLMs exhibit limitations in exploiting the structural coordinates in point clouds for fine-grained spatial reasoning. We think these conclusions can help the next step of 3D LLMs and also offer insights for foundation models in other modalities. We release datasets and reproducible codes in the anonymous project page: https://3d-llm.xyz.

Xin Wang, Anshu Raj, Matthew Luebbe et al.

Data-driven materials discovery requires large-scale experimental datasets, yet most of the information remains trapped in unstructured literature. Existing extraction efforts often focus on a limited set of features and have not addressed the integrated composition-processing-microstructure-property relationships essential for understanding materials behavior, thereby posing challenges for building comprehensive databases. To address this gap, we propose a multi-stage information extraction pipeline powered by large language models, which captures 47 features spanning composition, processing, microstructure, and properties exclusively from experimentally reported materials. The pipeline integrates iterative extraction with source tracking to enhance both accuracy and reliability. Evaluations at the feature level (independent attributes) and tuple level (interdependent features) yielded F1 scores around 0.96. Compared with single-pass extraction without source tracking, our approach improved F1 scores of microstructure category by 10.0% (feature level) and 13.7% (tuple level), and reduced missed materials from 49 to 13 out of 396 materials in 100 articles on precipitate-containing multi-principal element alloys (miss rate reduced from 12.4% to 3.3%). The pipeline enables scalable and efficient literature mining, producing databases with high precision, minimal omissions, and zero false positives. These datasets provide trustworthy inputs for machine learning and materials informatics, while the modular design generalizes to diverse material classes, enabling comprehensive materials information extraction.

Haoyang Li, Xin Wang, Ziwei Zhang et al.

Graph machine learning has been extensively studied in both academia and industry. Although booming with a vast number of emerging methods and techniques, most of the literature is built on the in-distribution hypothesis, i.e., testing and training graph data are identically distributed. However, this in-distribution hypothesis can hardly be satisfied in many real-world graph scenarios where the model performance substantially degrades when there exist distribution shifts between testing and training graph data. To solve this critical problem, out-of-distribution (OOD) generalization on graphs, which goes beyond the in-distribution hypothesis, has made great progress and attracted ever-increasing attention from the research community. In this paper, we comprehensively survey OOD generalization on graphs and present a detailed review of recent advances in this area. First, we provide a formal problem definition of OOD generalization on graphs. Second, we categorize existing methods into three classes from conceptually different perspectives, i.e., data, model, and learning strategy, based on their positions in the graph machine learning pipeline, followed by detailed discussions for each category. We also review the theories related to OOD generalization on graphs and introduce the commonly used graph datasets for thorough evaluations. Finally, we share our insights on future research directions. This paper is the first systematic and comprehensive review of OOD generalization on graphs, to the best of our knowledge.

Kai Guo, Kaixiong Zhou, Xia Hu et al.

Graph neural networks (GNNs) have received tremendous attention due to their superiority in learning node representations. These models rely on message passing and feature transformation functions to encode the structural and feature information from neighbors. However, stacking more convolutional layers significantly decreases the performance of GNNs. Most recent studies attribute this limitation to the over-smoothing issue, where node embeddings converge to indistinguishable vectors. Through a number of experimental observations, we argue that the main factor degrading the performance is the unstable forward normalization and backward gradient resulted from the improper design of the feature transformation, especially for shallow GNNs where the over-smoothing has not happened. Therefore, we propose a novel orthogonal feature transformation, named Ortho-GConv, which could generally augment the existing GNN backbones to stabilize the model training and improve the model's generalization performance. Specifically, we maintain the orthogonality of the feature transformation comprehensively from three perspectives, namely hybrid weight initialization, orthogonal transformation, and orthogonal regularization. By equipping the existing GNNs (e.g. GCN, JKNet, GCNII) with Ortho-GConv, we demonstrate the generality of the orthogonal feature transformation to enable stable training, and show its effectiveness for node and graph classification tasks.

Heng Chang, Yu Rong, Tingyang Xu et al.

With the success of the graph embedding model in both academic and industry areas, the robustness of graph embedding against adversarial attack inevitably becomes a crucial problem in graph learning. Existing works usually perform the attack in a white-box fashion: they need to access the predictions/labels to construct their adversarial loss. However, the inaccessibility of predictions/labels makes the white-box attack impractical to a real graph learning system. This paper promotes current frameworks in a more general and flexible sense -- we demand to attack various kinds of graph embedding models with black-box driven. We investigate the theoretical connections between graph signal processing and graph embedding models and formulate the graph embedding model as a general graph signal process with a corresponding graph filter. Therefore, we design a generalized adversarial attacker: GF-Attack. Without accessing any labels and model predictions, GF-Attack can perform the attack directly on the graph filter in a black-box fashion. We further prove that GF-Attack can perform an effective attack without knowing the number of layers of graph embedding models. To validate the generalization of GF-Attack, we construct the attacker on four popular graph embedding models. Extensive experiments validate the effectiveness of GF-Attack on several benchmark datasets.

Wenwu Zhu, Xin Wang, Peng Cui

Mining graph data has become a popular research topic in computer science and has been widely studied in both academia and industry given the increasing amount of network data in the recent years. However, the huge amount of network data has posed great challenges for efficient analysis. This motivates the advent of graph representation which maps the graph into a low-dimension vector space, keeping original graph structure and supporting graph inference. The investigation on efficient representation of a graph has profound theoretical significance and important realistic meaning, we therefore introduce some basic ideas in graph representation/network embedding as well as some representative models in this chapter.

Sheng Zhou, Jiajun Bu, Xin Wang et al.

Heterogeneous information network (HIN) embedding has recently attracted much attention due to its effectiveness in dealing with the complex heterogeneous data. Meta path, which connects different object types with various semantic meanings, is widely used by existing HIN embedding works. However, several challenges have not been addressed so far. First, different meta paths convey different semantic meanings, while existing works assume that all nodes share same weights for meta paths and ignore the personalized preferences of different nodes on different meta paths. Second, given a meta path, nodes in HIN are connected by path instances while existing works fail to fully explore the differences between path instances that reflect nodes' preferences in the semantic space. rTo tackle the above challenges, we propose aHierarchical Attentive Heterogeneous information network Embedding (HAHE) model to capture the personalized preferences on meta paths and path instances in each semantic space. As path instances are based on a particular meta path, a hierarchical attention mechanism is naturally utilized to model the personalized preference on meta paths and path instances. Extensive experiments on several real-world datasets show that our proposed \model model significantly outperforms the state-of-the-art methods in terms of various data mining tasks.