Xueqi Ma

Chuang Liu, Xueqi Ma, Yibing Zhan et al.

Graph Neural Networks (GNNs) tend to suffer from high computation costs due to the exponentially increasing scale of graph data and the number of model parameters, which restricts their utility in practical applications. To this end, some recent works focus on sparsifying GNNs with the lottery ticket hypothesis (LTH) to reduce inference costs while maintaining performance levels. However, the LTH-based methods suffer from two major drawbacks: 1) they require exhaustive and iterative training of dense models, resulting in an extremely large training computation cost, and 2) they only trim graph structures and model parameters but ignore the node feature dimension, where significant redundancy exists. To overcome the above limitations, we propose a comprehensive graph gradual pruning framework termed CGP. This is achieved by designing a during-training graph pruning paradigm to dynamically prune GNNs within one training process. Unlike LTH-based methods, the proposed CGP approach requires no re-training, which significantly reduces the computation costs. Furthermore, we design a co-sparsifying strategy to comprehensively trim all three core elements of GNNs: graph structures, node features, and model parameters. Meanwhile, aiming at refining the pruning operation, we introduce a regrowth process into our CGP framework, in order to re-establish the pruned but important connections. The proposed CGP is evaluated by using a node classification task across 6 GNN architectures, including shallow models (GCN and GAT), shallow-but-deep-propagation models (SGC and APPNP), and deep models (GCNII and ResGCN), on a total of 14 real-world graph datasets, including large-scale graph datasets from the challenging Open Graph Benchmark. Experiments reveal that our proposed strategy greatly improves both training and inference efficiency while matching or even exceeding the accuracy of existing methods.

Yanbei Jiang, Xueqi Ma, Shu Liu et al.

Despite excelling on multimodal benchmarks, vision-language models (VLMs) largely remain a black box. In this paper, we propose a novel interpretability framework to systematically analyze the internal mechanisms of VLMs, focusing on the functional roles of attention heads in multimodal reasoning. To this end, we introduce CogVision, a dataset that decomposes complex multimodal questions into step-by-step subquestions designed to simulate human reasoning through a chain-of-thought paradigm, with each subquestion associated with specific receptive or cognitive functions such as high-level visual reception and inference. Using a probing-based methodology, we identify attention heads that specialize in these functions and characterize them as functional heads. Our analysis across diverse VLM families reveals that these functional heads are universally sparse, vary in number and distribution across functions, and mediate interactions and hierarchical organization. Furthermore, intervention experiments demonstrate their critical role in multimodal reasoning: removing functional heads leads to performance degradation, while emphasizing them enhances accuracy. These findings provide new insights into the cognitive organization of VLMs and suggest promising directions for designing models with more human-aligned perceptual and reasoning abilities.

Xueqi Ma, Xingjun Ma, Sarah Monazam Erfani et al.

Developing open-set classification methods capable of classifying in-distribution (ID) data while detecting out-of-distribution (OOD) samples is essential for deploying graph neural networks (GNNs) in open-world scenarios. Existing methods typically treat all OOD samples as a single class, despite real-world applications, especially high-stake settings such as fraud detection and medical diagnosis, demanding deeper insights into OOD samples, including their probable labels. This raises a critical question: can OOD detection be extended to OOD classification without true label information? To address this question, we propose a Coarse-to-Fine open-set Classification (CFC) framework that leverages large language models (LLMs) for graph datasets. CFC consists of three key components: a coarse classifier that uses LLM prompts for OOD detection and outlier label generation, a GNN-based fine classifier trained with OOD samples identified by the coarse classifier for enhanced OOD detection and ID classification, and refined OOD classification achieved through LLM prompts and post-processed OOD labels. Unlike methods that rely on synthetic or auxiliary OOD samples, CFC employs semantic OOD instances that are genuinely out-of-distribution based on their inherent meaning, improving interpretability and practical utility. Experimental results show that CFC improves OOD detection by ten percent over state-of-the-art methods on graph and text domains and achieves up to seventy percent accuracy in OOD classification on graph datasets.

Chuang Liu, Zelin Yao, Xueqi Ma et al.

Graph self-supervised learning typically relies on large-scale unlabeled datasets, heavily inflating computational costs. However, empirical evidence suggests that these datasets contain substantial redundancy-our analysis reveals that uniformly subsampling 50% of graphs retains over 96% of downstream performance. To exploit this redundancy, we introduce GraphSculptor for pre-training coreset construction. Unlike methods dependent on additional training-time signals or limited solely to topological statistics, GraphSculptor provides a label-free solution that constructs coresets via two complementary perspectives: intrinsic structure and contextual semantics. Concretely, structural diversity is quantified using intrinsic graph statistics, yielding a structural feature vector for each graph, while semantic diversity is captured by utilizing a pre-trained language model to encode descriptions generated via graph-to-text. GraphSculptor integrates these signals into a unified metric space and performs cluster-aware selection to preserve joint structural-semantic diversity. We further derive a theoretical bound on the loss gap between coreset and full-data pre-training, offering theoretical motivation for our selection formulation. Extensive experiments demonstrate that GraphSculptor effectively sculpts the dataset: a 10% coreset achieves 99.6% of full-data performance while reducing pre-training time by nearly 90%, offering a scalable solution for data-efficient graph pre-training.

Chuang Liu, Yuyao Wang, Yibing Zhan et al.

Graph masked autoencoders (GMAE) have emerged as a significant advancement in self-supervised pre-training for graph-structured data. Previous GMAE models primarily utilize a straightforward random masking strategy for nodes or edges during training. However, this strategy fails to consider the varying significance of different nodes within the graph structure. In this paper, we investigate the potential of leveraging the graph's structural composition as a fundamental and unique prior in the masked pre-training process. To this end, we introduce a novel structure-guided masking strategy (i.e., StructMAE), designed to refine the existing GMAE models. StructMAE involves two steps: 1) Structure-based Scoring: Each node is evaluated and assigned a score reflecting its structural significance. Two distinct types of scoring manners are proposed: predefined and learnable scoring. 2) Structure-guided Masking: With the obtained assessment scores, we develop an easy-to-hard masking strategy that gradually increases the structural awareness of the self-supervised reconstruction task. Specifically, the strategy begins with random masking and progresses to masking structure-informative nodes based on the assessment scores. This design gradually and effectively guides the model in learning graph structural information. Furthermore, extensive experiments consistently demonstrate that our StructMAE method outperforms existing state-of-the-art GMAE models in both unsupervised and transfer learning tasks. Codes are available at https://github.com/LiuChuang0059/StructMAE.

Chuang Liu, Zelin Yao, Yibing Zhan et al.

Graph Transformers (GTs) have demonstrated their advantages across a wide range of tasks. However, the self-attention mechanism in GTs overlooks the graph's inductive biases, particularly biases related to structure, which are crucial for the graph tasks. Although some methods utilize positional encoding and attention bias to model inductive biases, their effectiveness is still suboptimal analytically. Therefore, this paper presents Gradformer, a method innovatively integrating GT with the intrinsic inductive bias by applying an exponential decay mask to the attention matrix. Specifically, the values in the decay mask matrix diminish exponentially, correlating with the decreasing node proximities within the graph structure. This design enables Gradformer to retain its ability to capture information from distant nodes while focusing on the graph's local details. Furthermore, Gradformer introduces a learnable constraint into the decay mask, allowing different attention heads to learn distinct decay masks. Such an design diversifies the attention heads, enabling a more effective assimilation of diverse structural information within the graph. Extensive experiments on various benchmarks demonstrate that Gradformer consistently outperforms the Graph Neural Network and GT baseline models in various graph classification and regression tasks. Additionally, Gradformer has proven to be an effective method for training deep GT models, maintaining or even enhancing accuracy compared to shallow models as the network deepens, in contrast to the significant accuracy drop observed in other GT models.Codes are available at \url{https://github.com/LiuChuang0059/Gradformer}.

Xueqi Ma, Shuo Yang, Yanbei Jiang et al.

Despite remarkable advances in large Vision-Language Models (VLMs), spatial reasoning remains a persistent challenge. In this work, we investigate how attention heads within VLMs contribute to spatial reasoning by analyzing their functional roles through a mechanistic interpretability lens. We introduce CogVSR, a dataset that decomposes complex spatial reasoning questions into step-by-step subquestions designed to simulate human-like reasoning via a chain-of-thought paradigm, with each subquestion linked to specific cognitive functions such as spatial perception or relational reasoning. Building on CogVSR, we develop a probing framework to identify and characterize attention heads specialized for these functions. Our analysis across diverse VLM families reveals that these functional heads are universally sparse, vary in number and distribution across functions. Notably, spatially specialized heads are fewer than those for other cognitive functions, highlighting their scarcity. We propose methods to activate latent spatial heads, improving spatial understanding. Intervention experiments further demonstrate their critical role in spatial reasoning: removing functional heads leads to performance degradation, while emphasizing them enhances accuracy. This study provides new interpretability driven insights into how VLMs attend to space and paves the way for enhancing complex spatial reasoning in multimodal models.

Xueqi Ma, Xingguang Yan, Congyue Zhang et al.

We present MeshTailor, the first mesh-native generative framework for synthesizing edge-aligned seams on 3D surfaces. Unlike prior optimization-based or extrinsic learning-based methods, MeshTailor operates directly on the mesh graph, eliminating projection artifacts and fragile snapping heuristics. We introduce ChainingSeams, a hierarchical serialization of the seam graph that prioritizes global structural cuts before local details in a coarse-to-fine manner, and a dual-stream encoder that fuses topological and geometric context. Leveraging this hierarchical representation and enriched vertex embeddings, our MeshTailor Transformer utilizes an autoregressive pointer layer to trace seams vertex-by-vertex within local neighborhoods, ensuring projection-free, edge-aligned seams. Extensive evaluations show that MeshTailor produces more coherent, professional-quality seam layouts compared to recent optimization-based and learning-based baselines.

Chuang Liu, Wenhang Yu, Kuang Gao et al.

Graph pooling has been increasingly recognized as crucial for Graph Neural Networks (GNNs) to facilitate hierarchical graph representation learning. Existing graph pooling methods commonly consist of two stages: selecting top-ranked nodes and discarding the remaining to construct coarsened graph representations. However, this paper highlights two key issues with these methods: 1) The process of selecting nodes to discard frequently employs additional Graph Convolutional Networks or Multilayer Perceptrons, lacking a thorough evaluation of each node's impact on the final graph representation and subsequent prediction tasks. 2) Current graph pooling methods tend to directly discard the noise segment (dropped) of the graph without accounting for the latent information contained within these elements. To address the first issue, we introduce a novel Graph Explicit Pooling (GrePool) method, which selects nodes by explicitly leveraging the relationships between the nodes and final representation vectors crucial for classification. The second issue is addressed using an extended version of GrePool (i.e., GrePool+), which applies a uniform loss on the discarded nodes. This addition is designed to augment the training process and improve classification accuracy. Furthermore, we conduct comprehensive experiments across 12 widely used datasets to validate our proposed method's effectiveness, including the Open Graph Benchmark datasets. Our experimental results uniformly demonstrate that GrePool outperforms 14 baseline methods for most datasets. Likewise, implementing GrePool+ enhances GrePool's performance without incurring additional computational costs.

Xueqi Ma, Yilin Liu, Wenjun Zhou et al.

We present a new approach for generating 3D house wireframes with semantic enrichment using an autoregressive model. Unlike conventional generative models that independently process vertices, edges, and faces, our approach employs a unified wire-based representation for improved coherence in learning 3D wireframe structures. By re-ordering wire sequences based on semantic meanings, we facilitate seamless semantic integration during sequence generation. Our two-phase technique merges a graph-based autoencoder with a transformer-based decoder to learn latent geometric tokens and generate semantic-aware wireframes. Through iterative prediction and decoding during inference, our model produces detailed wireframes that can be easily segmented into distinct components, such as walls, roofs, and rooms, reflecting the semantic essence of the shape. Empirical results on a comprehensive house dataset validate the superior accuracy, novelty, and semantic fidelity of our model compared to existing generative models. More results and details can be found on https://vcc.tech/research/2024/3DWire.

Ruowei Wang, Jiaqi Li, Dan Zeng et al.

Generating high-quality meshes with complex structures and realistic surfaces is the primary goal of 3D generative models. Existing methods typically employ sequence data or deformable tetrahedral grids for mesh generation. However, sequence-based methods have difficulty producing complex structures with many faces due to memory limits. The deformable tetrahedral grid-based method MeshDiffusion fails to recover realistic surfaces due to the inherent ambiguity in deformable grids. We propose the GenUDC framework to address these challenges by leveraging the Unsigned Dual Contouring (UDC) as the mesh representation. UDC discretizes a mesh in a regular grid and divides it into the face and vertex parts, recovering both complex structures and fine details. As a result, the one-to-one mapping between UDC and mesh resolves the ambiguity problem. In addition, GenUDC adopts a two-stage, coarse-to-fine generative process for 3D mesh generation. It first generates the face part as a rough shape and then the vertex part to craft a detailed shape. Extensive evaluations demonstrate the superiority of UDC as a mesh representation and the favorable performance of GenUDC in mesh generation. The code and trained models are available at https://github.com/TrepangCat/GenUDC.

Shuo Yang, Soyeon Caren Han, Xueqi Ma et al.

LLM-based agents depend on effective tool-use policies to solve complex tasks, yet optimizing these policies remains challenging due to delayed supervision and the difficulty of credit assignment in long-horizon trajectories. Existing optimization approaches tend to be either monolithic, which are prone to entangling behaviors, or single-aspect, which ignore cross-module error propagation. To address these limitations, we propose EvoTool, a self-evolving framework that optimizes a modular tool-use policy via a gradient-free evolutionary paradigm. EvoTool decomposes agent's tool-use policy into four modules, including Planner, Selector, Caller, and Synthesizer, and iteratively improves them in a self-improving loop through three novel mechanisms. Trajectory-Grounded Blame Attribution uses diagnostic traces to localize failures to a specific module. Feedback-Guided Targeted Mutation then edits only that module via natural-language critique. Diversity-Aware Population Selection preserves complementary candidates to ensure solution diversity. Across four benchmarks, EvoTool outperforms strong baselines by over 5 points on both GPT-4.1 and Qwen3-8B, while achieving superior efficiency and transferability. The code will be released once paper is accepted.

Chuang Liu, Yibing Zhan, Xueqi Ma et al.

Graph Transformers (GTs) have achieved impressive results on various graph-related tasks. However, the huge computational cost of GTs hinders their deployment and application, especially in resource-constrained environments. Therefore, in this paper, we explore the feasibility of sparsifying GTs, a significant yet under-explored topic. We first discuss the redundancy of GTs based on the characteristics of existing GT models, and then propose a comprehensive \textbf{G}raph \textbf{T}ransformer \textbf{SP}arsification (GTSP) framework that helps to reduce the computational complexity of GTs from four dimensions: the input graph data, attention heads, model layers, and model weights. Specifically, GTSP designs differentiable masks for each individual compressible component, enabling effective end-to-end pruning. We examine our GTSP through extensive experiments on prominent GTs, including GraphTrans, Graphormer, and GraphGPS. The experimental results substantiate that GTSP effectively cuts computational costs, accompanied by only marginal decreases in accuracy or, in some cases, even improvements. For instance, GTSP yields a reduction of 30\% in Floating Point Operations while contributing to a 1.8\% increase in Area Under the Curve accuracy on OGBG-HIV dataset. Furthermore, we provide several insights on the characteristics of attention heads and the behavior of attention mechanisms, all of which have immense potential to inspire future research endeavors in this domain.

Biwen Lei, Yang Li, Xinhai Liu et al.

The creation of high-quality 3D assets, a cornerstone of modern game development, has long been characterized by labor-intensive and specialized workflows. This paper presents Hunyuan3D Studio, an end-to-end AI-powered content creation platform designed to revolutionize the game production pipeline by automating and streamlining the generation of game-ready 3D assets. At its core, Hunyuan3D Studio integrates a suite of advanced neural modules (such as Part-level 3D Generation, Polygon Generation, Semantic UV, etc.) into a cohesive and user-friendly system. This unified framework allows for the rapid transformation of a single concept image or textual description into a fully-realized, production-quality 3D model complete with optimized geometry and high-fidelity PBR textures. We demonstrate that assets generated by Hunyuan3D Studio are not only visually compelling but also adhere to the stringent technical requirements of contemporary game engines, significantly reducing iteration time and lowering the barrier to entry for 3D content creation. By providing a seamless bridge from creative intent to technical asset, Hunyuan3D Studio represents a significant leap forward for AI-assisted workflows in game development and interactive media.

Chuang Liu, Zelin Yao, Yibing Zhan et al.

Graph Masked Autoencoders (GMAEs) have emerged as a notable self-supervised learning approach for graph-structured data. Existing GMAE models primarily focus on reconstructing node-level information, categorizing them as single-scale GMAEs. This methodology, while effective in certain contexts, tends to overlook the complex hierarchical structures inherent in many real-world graphs. For instance, molecular graphs exhibit a clear hierarchical organization in the form of the atoms-functional groups-molecules structure. Hence, the inability of single-scale GMAE models to incorporate these hierarchical relationships often leads to their inadequate capture of crucial high-level graph information, resulting in a noticeable decline in performance. To address this limitation, we propose Hierarchical Graph Masked AutoEncoders (Hi-GMAE), a novel multi-scale GMAE framework designed to handle the hierarchical structures within graphs. First, Hi-GMAE constructs a multi-scale graph hierarchy through graph pooling, enabling the exploration of graph structures across different granularity levels. To ensure masking uniformity of subgraphs across these scales, we propose a novel coarse-to-fine strategy that initiates masking at the coarsest scale and progressively back-projects the mask to the finer scales. Furthermore, we integrate a gradual recovery strategy with the masking process to mitigate the learning challenges posed by completely masked subgraphs. Diverging from the standard graph neural network (GNN) used in GMAE models, Hi-GMAE modifies its encoder and decoder into hierarchical structures. This entails using GNN at the finer scales for detailed local graph analysis and employing a graph transformer at coarser scales to capture global information. Our experiments on 15 graph datasets consistently demonstrate that Hi-GMAE outperforms 17 state-of-the-art self-supervised competitors.

Xueqi Ma, Yilin Liu, Tianlong Gao et al.

We introduce CLR-Wire, a novel framework for 3D curve-based wireframe generation that integrates geometry and topology into a unified Continuous Latent Representation. Unlike conventional methods that decouple vertices, edges, and faces, CLR-Wire encodes curves as Neural Parametric Curves along with their topological connectivity into a continuous and fixed-length latent space using an attention-driven variational autoencoder (VAE). This unified approach facilitates joint learning and generation of both geometry and topology. To generate wireframes, we employ a flow matching model to progressively map Gaussian noise to these latents, which are subsequently decoded into complete 3D wireframes. Our method provides fine-grained modeling of complex shapes and irregular topologies, and supports both unconditional generation and generation conditioned on point cloud or image inputs. Experimental results demonstrate that, compared with state-of-the-art generative approaches, our method achieves substantial improvements in accuracy, novelty, and diversity, offering an efficient and comprehensive solution for CAD design, geometric reconstruction, and 3D content creation.

Xueqi Ma, Yanbei Jiang, Sarah Erfani et al.

Multimodal Large Language Models (MLLMs) have demonstrated exceptional performance across various objective multimodal perception tasks, yet their application to subjective, emotionally nuanced domains, such as psychological analysis, remains largely unexplored. In this paper, we introduce PICK, a multi-step framework designed for Psychoanalytical Image Comprehension through hierarchical analysis and Knowledge injection with MLLMs, specifically focusing on the House-Tree-Person (HTP) Test, a widely used psychological assessment in clinical practice. First, we decompose drawings containing multiple instances into semantically meaningful sub-drawings, constructing a hierarchical representation that captures spatial structure and content across three levels: single-object level, multi-object level, and whole level. Next, we analyze these sub-drawings at each level with a targeted focus, extracting psychological or emotional insights from their visual cues. We also introduce an HTP knowledge base and design a feature extraction module, trained with reinforcement learning, to generate a psychological profile for single-object level analysis. This profile captures both holistic stylistic features and dynamic object-specific features (such as those of the house, tree, or person), correlating them with psychological states. Finally, we integrate these multi-faceted information to produce a well-informed assessment that aligns with expert-level reasoning. Our approach bridges the gap between MLLMs and specialized expert domains, offering a structured and interpretable framework for understanding human mental states through visual expression. Experimental results demonstrate that the proposed PICK significantly enhances the capability of MLLMs in psychological analysis. It is further validated as a general framework through extensions to emotion understanding tasks.

Duoteng Xu, Yuguang Chen, Jing Li et al.

Mesh seams play a pivotal role in partitioning 3D surfaces for UV parametrization and texture mapping. Poorly placed seams often result in severe UV distortion or excessive fragmentation, thereby hindering texture synthesis and disrupting artist workflows. Existing methods frequently trade one failure mode for another-producing either high distortion or many scattered islands. To address this, we introduce SeamCrafter, an autoregressive GPT-style seam generator conditioned on point cloud inputs. SeamCrafter employs a dual-branch point-cloud encoder that disentangles and captures complementary topological and geometric cues during pretraining. To further enhance seam quality, we fine-tune the model using Direct Preference Optimization (DPO) on a preference dataset derived from a novel seam-evaluation framework. This framework assesses seams primarily by UV distortion and fragmentation, and provides pairwise preference labels to guide optimization. Extensive experiments demonstrate that SeamCrafter produces seams with substantially lower distortion and fragmentation than prior approaches, while preserving topological consistency and visual fidelity.

Zelin Yao, Chuang Liu, Xueqi Ma et al.

Graph contrastive learning (GCL) is a popular method for leaning graph representations by maximizing the consistency of features across augmented views. Traditional GCL methods utilize single-perspective i.e. data or model-perspective) augmentation to generate positive samples, restraining the diversity of positive samples. In addition, these positive samples may be unreliable due to uncontrollable augmentation strategies that potentially alter the semantic information. To address these challenges, this paper proposed a innovative framework termed dual-perspective cross graph contrastive learning (DC-GCL), which incorporates three modifications designed to enhance positive sample diversity and reliability: 1) We propose dual-perspective augmentation strategy that provide the model with more diverse training data, enabling the model effective learning of feature consistency across different views. 2) From the data perspective, we slightly perturb the original graphs using controllable data augmentation, effectively preserving their semantic information. 3) From the model perspective, we enhance the encoder by utilizing more powerful graph transformers instead of graph neural networks. Based on the model's architecture, we propose three pruning-based strategies to slightly perturb the encoder, providing more reliable positive samples. These modifications collectively form the DC-GCL's foundation and provide more diverse and reliable training inputs, offering significant improvements over traditional GCL methods. Extensive experiments on various benchmarks demonstrate that DC-GCL consistently outperforms different baselines on various datasets and tasks.

Xueqi Ma, Weifeng Liu, Dapeng Tao et al.

Recently, manifold regularized semi-supervised learning (MRSSL) received considerable attention because it successfully exploits the geometry of the intrinsic data probability distribution including both labeled and unlabeled samples to leverage the performance of a learning model. As a natural nonlinear generalization of graph Laplacian, p-Laplacian has been proved having the rich theoretical foundations to better preserve the local structure. However, it is difficult to determine the fitting graph p-Lapalcian i.e. the parameter which is a critical factor for the performance of graph p-Laplacian. Therefore, we develop an ensemble p-Laplacian regularization (EpLapR) to fully approximate the intrinsic manifold of the data distribution. EpLapR incorporates multiple graphs into a regularization term in order to sufficiently explore the complementation of graph p-Laplacian. Specifically, we construct a fused graph by introducing an optimization approach to assign suitable weights on different p-value graphs. And then, we conduct semi-supervised learning framework on the fused graph. Extensive experiments on UC-Merced data set demonstrate the effectiveness and efficiency of the proposed method.

Xueqi Ma, Weifeng Liu, Shuying Li et al.

It is of great importance to preserve locality and similarity information in semi-supervised learning (SSL) based applications. Graph based SSL and manifold regularization based SSL including Laplacian regularization (LapR) and Hypergraph Laplacian regularization (HLapR) are representative SSL methods and have achieved prominent performance by exploiting the relationship of sample distribution. However, it is still a great challenge to exactly explore and exploit the local structure of the data distribution. In this paper, we present an effect and effective approximation algorithm of Hypergraph p-Laplacian and then propose Hypergraph p-Laplacian regularization (HpLapR) to preserve the geometry of the probability distribution. In particular, p-Laplacian is a nonlinear generalization of the standard graph Laplacian and Hypergraph is a generalization of a standard graph. Therefore, the proposed HpLapR provides more potential to exploiting the local structure preserving. We apply HpLapR to logistic regression and conduct the implementations for remote sensing image recognition. We compare the proposed HpLapR to several popular manifold regularization based SSL methods including LapR, HLapR and HpLapR on UC-Merced dataset. The experimental results demonstrate the superiority of the proposed HpLapR.