arXiv subjects

Chuan Zhou

Publications and source records attributed to Chuan Zhou.

At least 37 records · Page 2Linked to original sources

arXiv2025

Graph Wave Networks

Dynamics modeling has been introduced as a novel paradigm in message passing (MP) of graph neural networks (GNNs). Existing methods consider MP between nodes as a heat diffusion process, and leverage heat equation to model the temporal evolution of nodes in the embedding space. However, heat equation can hardly depict the wave nature of graph signals in graph signal processing. Besides, heat equation is essentially a partial differential equation (PDE) involving a first partial derivative of time, whose numerical solution usually has low stability, and leads to inefficient model training. In this paper, we would like to depict more wave details in MP, since graph signals are essentially wave signals that can be seen as a superposition of a series of waves in the form of eigenvector. This motivates us to consider MP as a wave propagation process to capture the temporal evolution of wave signals in the space. Based on wave equation in physics, we innovatively develop a graph wave equation to leverage the wave propagation on graphs. In details, we demonstrate that the graph wave equation can be connected to traditional spectral GNNs, facilitating the design of graph wave networks based on various Laplacians and enhancing the performance of the spectral GNNs. Besides, the graph wave equation is particularly a PDE involving a second partial derivative of time, which has stronger stability on graphs than the heat equation that involves a first partial derivative of time. Additionally, we theoretically prove that the numerical solution derived from the graph wave equation are constantly stable, enabling to significantly enhance model efficiency while ensuring its performance. Extensive experiments show that GWNs achieve SOTA and efficient performance on benchmark datasets, and exhibit outstanding performance in addressing challenging graph problems, such as over-smoothing and heterophily.

cs.LG↗

arXiv2025

Multi-Modal Brain Tumor Segmentation via 3D Multi-Scale Self-attention and Cross-attention

Due to the success of CNN-based and Transformer-based models in various computer vision tasks, recent works study the applicability of CNN-Transformer hybrid architecture models in 3D multi-modality medical segmentation tasks. Introducing Transformer brings long-range dependent information modeling ability in 3D medical images to hybrid models via the self-attention mechanism. However, these models usually employ fixed receptive fields of 3D volumetric features within each self-attention layer, ignoring the multi-scale volumetric lesion features. To address this issue, we propose a CNN-Transformer hybrid 3D medical image segmentation model, named TMA-TransBTS, based on an encoder-decoder structure. TMA-TransBTS realizes simultaneous extraction of multi-scale 3D features and modeling of long-distance dependencies by multi-scale division and aggregation of 3D tokens in a self-attention layer. Furthermore, TMA-TransBTS proposes a 3D multi-scale cross-attention module to establish a link between the encoder and the decoder for extracting rich volume representations by exploiting the mutual attention mechanism of cross-attention and multi-scale aggregation of 3D tokens. Extensive experimental results on three public 3D medical segmentation datasets show that TMA-TransBTS achieves higher averaged segmentation results than previous state-of-the-art CNN-based 3D methods and CNN-Transform hybrid 3D methods for the segmentation of 3D multi-modality brain tumors.

eess.IV↗

arXiv2025

Multi-modal and Multi-view Fundus Image Fusion for Retinopathy Diagnosis via Multi-scale Cross-attention and Shifted Window Self-attention

The joint interpretation of multi-modal and multi-view fundus images is critical for retinopathy prevention, as different views can show the complete 3D eyeball field and different modalities can provide complementary lesion areas. Compared with single images, the sequence relationships in multi-modal and multi-view fundus images contain long-range dependencies in lesion features. By modeling the long-range dependencies in these sequences, lesion areas can be more comprehensively mined, and modality-specific lesions can be detected. To learn the long-range dependency relationship and fuse complementary multi-scale lesion features between different fundus modalities, we design a multi-modal fundus image fusion method based on multi-scale cross-attention, which solves the static receptive field problem in previous multi-modal medical fusion methods based on attention. To capture multi-view relative positional relationships between different views and fuse comprehensive lesion features between different views, we design a multi-view fundus image fusion method based on shifted window self-attention, which also solves the computational complexity of the multi-view fundus fusion method based on self-attention is quadratic to the size and number of multi-view fundus images. Finally, we design a multi-task retinopathy diagnosis framework to help ophthalmologists reduce workload and improve diagnostic accuracy by combining the proposed two fusion methods. The experimental results of retinopathy classification and report generation tasks indicate our method's potential to improve the efficiency and reliability of retinopathy diagnosis in clinical practice, achieving a classification accuracy of 82.53\% and a report generation BlEU-1 of 0.543.

cs.CV↗

arXiv2025

Transformer-based Graph Neural Networks for Battery Range Prediction in AIoT Battery-Swap Services

The concept of the sharing economy has gained broad recognition, and within this context, Sharing E-Bike Battery (SEB) have emerged as a focal point of societal interest. Despite the popularity, a notable discrepancy remains between user expectations regarding the remaining battery range of SEBs and the reality, leading to a pronounced inclination among users to find an available SEB during emergency situations. In response to this challenge, the integration of Artificial Intelligence of Things (AIoT) and battery-swap services has surfaced as a viable solution. In this paper, we propose a novel structural Transformer-based model, referred to as the SEB-Transformer, designed specifically for predicting the battery range of SEBs. The scenario is conceptualized as a dynamic heterogeneous graph that encapsulates the interactions between users and bicycles, providing a comprehensive framework for analysis. Furthermore, we incorporate the graph structure into the SEB-Transformer to facilitate the estimation of the remaining e-bike battery range, in conjunction with mean structural similarity, enhancing the prediction accuracy. By employing the predictions made by our model, we are able to dynamically adjust the optimal cycling routes for users in real-time, while also considering the strategic locations of charging stations, thereby optimizing the user experience. Empirically our results on real-world datasets demonstrate the superiority of our model against nine competitive baselines. These innovations, powered by AIoT, not only bridge the gap between user expectations and the physical limitations of battery range but also significantly improve the operational efficiency and sustainability of SEB services. Through these advancements, the shared electric bicycle ecosystem is evolving, making strides towards a more reliable, user-friendly, and sustainable mode of transportation.

cs.LG↗

arXiv2025

A Partial Initialization Strategy to Mitigate the Overfitting Problem in CATE Estimation with Hidden Confounding

Estimating the conditional average treatment effect (CATE) from observational data plays a crucial role in areas such as e-commerce, healthcare, and economics. Existing studies mainly rely on the strong ignorability assumption that there are no hidden confounders, whose existence cannot be tested from observational data and can invalidate any causal conclusion. In contrast, data collected from randomized controlled trials (RCT) do not suffer from confounding but are usually limited by a small sample size. To avoid overfitting caused by the small-scale RCT data, we propose a novel two-stage pretraining-finetuning (TSPF) framework with a partial parameter initialization strategy to estimate the CATE in the presence of hidden confounding. In the first stage, a foundational representation of covariates is trained to estimate counterfactual outcomes through large-scale observational data. In the second stage, we propose to train an augmented representation of the covariates, which is concatenated with the foundational representation obtained in the first stage to adjust for the hidden confounding. Rather than training a separate network from scratch, part of the prediction heads are initialized from the first stage. The superiority of our approach is validated on two datasets with extensive experiments.

cs.LG↗

arXiv2024

CL4KGE: A Curriculum Learning Method for Knowledge Graph Embedding

Knowledge graph embedding (KGE) constitutes a foundational task, directed towards learning representations for entities and relations within knowledge graphs (KGs), with the objective of crafting representations comprehensive enough to approximate the logical and symbolic interconnections among entities. In this paper, we define a metric Z-counts to measure the difficulty of training each triple ($<$head entity, relation, tail entity$>$) in KGs with theoretical analysis. Based on this metric, we propose \textbf{CL4KGE}, an efficient \textbf{C}urriculum \textbf{L}earning based training strategy for \textbf{KGE}. This method includes a difficulty measurer and a training scheduler that aids in the training of KGE models. Our approach possesses the flexibility to act as a plugin within a wide range of KGE models, with the added advantage of adaptability to the majority of KGs in existence. The proposed method has been evaluated on popular KGE models, and the results demonstrate that it enhances the state-of-the-art methods. The use of Z-counts as a metric has enabled the identification of challenging triples in KGs, which helps in devising effective training strategies.

cs.AI↗

arXiv2024

Phased Instruction Fine-Tuning for Large Language Models

Instruction Fine-Tuning enhances pre-trained language models from basic next-word prediction to complex instruction-following. However, existing One-off Instruction Fine-Tuning (One-off IFT) method, applied on a diverse instruction, may not effectively boost models' adherence to instructions due to the simultaneous handling of varying instruction complexities. To improve this, Phased Instruction Fine-Tuning (Phased IFT) is proposed, based on the idea that learning to follow instructions is a gradual process. It assesses instruction difficulty using GPT-4, divides the instruction data into subsets of increasing difficulty, and uptrains the model sequentially on these subsets. Experiments with Llama-2 7B/13B/70B, Llama3 8/70B and Mistral-7B models using Alpaca data show that Phased IFT significantly outperforms One-off IFT, supporting the progressive alignment hypothesis and providing a simple and efficient way to enhance large language models. Codes and datasets from our experiments are freely available at https://github.com/xubuvd/PhasedSFT.

cs.CL↗

arXiv2024

Combinatorial Optimization with Automated Graph Neural Networks

In recent years, graph neural networks (GNNs) have become increasingly popular for solving NP-hard combinatorial optimization (CO) problems, such as maximum cut and maximum independent set. The core idea behind these methods is to represent a CO problem as a graph and then use GNNs to learn the node/graph embedding with combinatorial information. Although these methods have achieved promising results, given a specific CO problem, the design of GNN architectures still requires heavy manual work with domain knowledge. Existing automated GNNs are mostly focused on traditional graph learning problems, which is inapplicable to solving NP-hard CO problems. To this end, we present a new class of \textbf{AUTO}mated \textbf{G}NNs for solving \textbf{NP}-hard problems, namely \textbf{AutoGNP}. We represent CO problems by GNNs and focus on two specific problems, i.e., mixed integer linear programming and quadratic unconstrained binary optimization. The idea of AutoGNP is to use graph neural architecture search algorithms to automatically find the best GNNs for a given NP-hard combinatorial optimization problem. Compared with existing graph neural architecture search algorithms, AutoGNP utilizes two-hop operators in the architecture search space. Moreover, AutoGNP utilizes simulated annealing and a strict early stopping policy to avoid local optimal solutions. Empirical results on benchmark combinatorial problems demonstrate the superiority of our proposed model.

cs.LG↗

arXiv2024

Decision-focused Graph Neural Networks for Combinatorial Optimization

In recent years, there has been notable interest in investigating combinatorial optimization (CO) problems by neural-based framework. An emerging strategy to tackle these challenging problems involves the adoption of graph neural networks (GNNs) as an alternative to traditional algorithms, a subject that has attracted considerable attention. Despite the growing popularity of GNNs and traditional algorithm solvers in the realm of CO, there is limited research on their integrated use and the correlation between them within an end-to-end framework. The primary focus of our work is to formulate a more efficient and precise framework for CO by employing decision-focused learning on graphs. Additionally, we introduce a decision-focused framework that utilizes GNNs to address CO problems with auxiliary support. To realize an end-to-end approach, we have designed two cascaded modules: (a) an unsupervised trained graph predictive model, and (b) a solver for quadratic binary unconstrained optimization. Empirical evaluations are conducted on various classical tasks, including maximum cut, maximum independent set, and minimum vertex cover. The experimental results on classical CO problems (i.e. MaxCut, MIS, and MVC) demonstrate the superiority of our method over both the standalone GNN approach and classical methods.

cs.LG↗

arXiv2024

ID-MixGCL: Identity Mixup for Graph Contrastive Learning

Graph contrastive learning (GCL) has recently achieved substantial advancements. Existing GCL approaches compare two different ``views'' of the same graph in order to learn node/graph representations. The underlying assumption of these studies is that the graph augmentation strategy is capable of generating several different graph views such that the graph views are structurally different but semantically similar to the original graphs, and thus the ground-truth labels of the original and augmented graph/nodes can be regarded identical in contrastive learning. However, we observe that this assumption does not always hold. For instance, the deletion of a super-node within a social network can exert a substantial influence on the partitioning of communities for other nodes. Similarly, any perturbation to nodes or edges in a molecular graph will change the labels of the graph. Therefore, we believe that augmenting the graph, accompanied by an adaptation of the labels used for the contrastive loss, will facilitate the encoder to learn a better representation. Based on this idea, we propose ID-MixGCL, which allows the simultaneous interpolation of input nodes and corresponding identity labels to obtain soft-confidence samples, with a controllable degree of change, leading to the capture of fine-grained representations from self-supervised training on unlabeled graphs. Experimental results demonstrate that ID-MixGCL improves performance on graph classification and node classification tasks, as demonstrated by significant improvements on the Cora, IMDB-B, IMDB-M, and PROTEINS datasets compared to state-of-the-art techniques, by 3-29% absolute points.

cs.LG↗

arXiv2023

GNNEvaluator: Evaluating GNN Performance On Unseen Graphs Without Labels

Evaluating the performance of graph neural networks (GNNs) is an essential task for practical GNN model deployment and serving, as deployed GNNs face significant performance uncertainty when inferring on unseen and unlabeled test graphs, due to mismatched training-test graph distributions. In this paper, we study a new problem, GNN model evaluation, that aims to assess the performance of a specific GNN model trained on labeled and observed graphs, by precisely estimating its performance (e.g., node classification accuracy) on unseen graphs without labels. Concretely, we propose a two-stage GNN model evaluation framework, including (1) DiscGraph set construction and (2) GNNEvaluator training and inference. The DiscGraph set captures wide-range and diverse graph data distribution discrepancies through a discrepancy measurement function, which exploits the outputs of GNNs related to latent node embeddings and node class predictions. Under the effective training supervision from the DiscGraph set, GNNEvaluator learns to precisely estimate node classification accuracy of the to-be-evaluated GNN model and makes an accurate inference for evaluating GNN model performance. Extensive experiments on real-world unseen and unlabeled test graphs demonstrate the effectiveness of our proposed method for GNN model evaluation.

cs.LG↗

arXiv2023

State of the Art and Potentialities of Graph-level Learning

Graphs have a superior ability to represent relational data, like chemical compounds, proteins, and social networks. Hence, graph-level learning, which takes a set of graphs as input, has been applied to many tasks including comparison, regression, classification, and more. Traditional approaches to learning a set of graphs heavily rely on hand-crafted features, such as substructures. But while these methods benefit from good interpretability, they often suffer from computational bottlenecks as they cannot skirt the graph isomorphism problem. Conversely, deep learning has helped graph-level learning adapt to the growing scale of graphs by extracting features automatically and encoding graphs into low-dimensional representations. As a result, these deep graph learning methods have been responsible for many successes. Yet, there is no comprehensive survey that reviews graph-level learning starting with traditional learning and moving through to the deep learning approaches. This article fills this gap and frames the representative algorithms into a systematic taxonomy covering traditional learning, graph-level deep neural networks, graph-level graph neural networks, and graph pooling. To ensure a thoroughly comprehensive survey, the evolutions, interactions, and communications between methods from four different branches of development are also examined. This is followed by a brief review of the benchmark data sets, evaluation metrics, and common downstream applications. The survey concludes with a broad overview of 12 current and future directions in this booming field.

cs.LG↗

arXiv2023

Auto-HeG: Automated Graph Neural Network on Heterophilic Graphs

Graph neural architecture search (NAS) has gained popularity in automatically designing powerful graph neural networks (GNNs) with relieving human efforts. However, existing graph NAS methods mainly work under the homophily assumption and overlook another important graph property, i.e., heterophily, which exists widely in various real-world applications. To date, automated heterophilic graph learning with NAS is still a research blank to be filled in. Due to the complexity and variety of heterophilic graphs, the critical challenge of heterophilic graph NAS mainly lies in developing the heterophily-specific search space and strategy. Therefore, in this paper, we propose a novel automated graph neural network on heterophilic graphs, namely Auto-HeG, to automatically build heterophilic GNN models with expressive learning abilities. Specifically, Auto-HeG incorporates heterophily into all stages of automatic heterophilic graph learning, including search space design, supernet training, and architecture selection. Through the diverse message-passing scheme with joint micro-level and macro-level designs, we first build a comprehensive heterophilic GNN search space, enabling Auto-HeG to integrate complex and various heterophily of graphs. With a progressive supernet training strategy, we dynamically shrink the initial search space according to layer-wise variation of heterophily, resulting in a compact and efficient supernet. Taking a heterophily-aware distance criterion as the guidance, we conduct heterophilic architecture selection in the leave-one-out pattern, so that specialized and expressive heterophilic GNN architectures can be derived. Extensive experiments illustrate the superiority of Auto-HeG in developing excellent heterophilic GNNs to human-designed models and graph NAS models.

cs.LG↗

arXiv2023

Projective Ranking-based GNN Evasion Attacks

Graph neural networks (GNNs) offer promising learning methods for graph-related tasks. However, GNNs are at risk of adversarial attacks. Two primary limitations of the current evasion attack methods are highlighted: (1) The current GradArgmax ignores the "long-term" benefit of the perturbation. It is faced with zero-gradient and invalid benefit estimates in certain situations. (2) In the reinforcement learning-based attack methods, the learned attack strategies might not be transferable when the attack budget changes. To this end, we first formulate the perturbation space and propose an evaluation framework and the projective ranking method. We aim to learn a powerful attack strategy then adapt it as little as possible to generate adversarial samples under dynamic budget settings. In our method, based on mutual information, we rank and assess the attack benefits of each perturbation for an effective attack strategy. By projecting the strategy, our method dramatically minimizes the cost of learning a new attack strategy when the attack budget changes. In the comparative assessment with GradArgmax and RL-S2V, the results show our method owns high attack performance and effective transferability. The visualization of our method also reveals various attack patterns in the generation of adversarial samples.

cs.LG↗

arXiv2023

VR-GNN: Variational Relation Vector Graph Neural Network for Modeling both Homophily and Heterophily

Graph Neural Networks (GNNs) have achieved remarkable success in diverse real-world applications. Traditional GNNs are designed based on homophily, which leads to poor performance under heterophily scenarios. Current solutions deal with heterophily mainly by mixing high-order neighbors or passing signed messages. However, mixing high-order neighbors destroys the original graph structure and passing signed messages utilizes an inflexible message-passing mechanism, which is prone to producing unsatisfactory effects. To overcome the above problems, we propose a novel GNN model based on relation vector translation named Variational Relation Vector Graph Neural Network (VR-GNN). VR-GNN models relation generation and graph aggregation into an end-to-end model based on Variational Auto-Encoder. The encoder utilizes the structure, feature and label to generate a proper relation vector. The decoder achieves superior node representation by incorporating the relation translation into the message-passing framework. VR-GNN can fully capture the homophily and heterophily between nodes due to the great flexibility of relation translation in modeling neighbor relationships. We conduct extensive experiments on eight real-world datasets with different homophily-heterophily properties to verify the effectiveness of our model. The experimental results show that VR-GNN gains consistent and significant improvements against state-of-the-art GNN methods under heterophily, and competitive performance under homophily.

cs.SI↗

arXiv2022

Pseudo-Riemannian Graph Convolutional Networks

Graph convolutional networks (GCNs) are powerful frameworks for learning embeddings of graph-structured data. GCNs are traditionally studied through the lens of Euclidean geometry. Recent works find that non-Euclidean Riemannian manifolds provide specific inductive biases for embedding hierarchical or spherical data. However, they cannot align well with data of mixed graph topologies. We consider a larger class of pseudo-Riemannian manifolds that generalize hyperboloid and sphere. We develop new geodesic tools that allow for extending neural network operations into geodesically disconnected pseudo-Riemannian manifolds. As a consequence, we derive a pseudo-Riemannian GCN that models data in pseudo-Riemannian manifolds of constant nonzero curvature in the context of graph neural networks. Our method provides a geometric inductive bias that is sufficiently flexible to model mixed heterogeneous topologies like hierarchical graphs with cycles. We demonstrate the representational capabilities of this method by applying it to the tasks of graph reconstruction, node classification and link prediction on a series of standard graphs with mixed topologies. Empirical results demonstrate that our method outperforms Riemannian counterparts when embedding graphs of complex topologies.

cs.LG↗

arXiv2022

DAGAD: Data Augmentation for Graph Anomaly Detection

Graph anomaly detection in this paper aims to distinguish abnormal nodes that behave differently from the benign ones accounting for the majority of graph-structured instances. Receiving increasing attention from both academia and industry, yet existing research on this task still suffers from two critical issues when learning informative anomalous behavior from graph data. For one thing, anomalies are usually hard to capture because of their subtle abnormal behavior and the shortage of background knowledge about them, which causes severe anomalous sample scarcity. Meanwhile, the overwhelming majority of objects in real-world graphs are normal, bringing the class imbalance problem as well. To bridge the gaps, this paper devises a novel Data Augmentation-based Graph Anomaly Detection (DAGAD) framework for attributed graphs, equipped with three specially designed modules: 1) an information fusion module employing graph neural network encoders to learn representations, 2) a graph data augmentation module that fertilizes the training set with generated samples, and 3) an imbalance-tailored learning module to discriminate the distributions of the minority (anomalous) and majority (normal) classes. A series of experiments on three datasets prove that DAGAD outperforms ten state-of-the-art baseline detectors concerning various mostly-used metrics, together with an extensive ablation study validating the strength of our proposed modules.

cs.LG↗

arXiv2022

Geometry Contrastive Learning on Heterogeneous Graphs

Self-supervised learning (especially contrastive learning) methods on heterogeneous graphs can effectively get rid of the dependence on supervisory data. Meanwhile, most existing representation learning methods embed the heterogeneous graphs into a single geometric space, either Euclidean or hyperbolic. This kind of single geometric view is usually not enough to observe the complete picture of heterogeneous graphs due to their rich semantics and complex structures. Under these observations, this paper proposes a novel self-supervised learning method, termed as Geometry Contrastive Learning (GCL), to better represent the heterogeneous graphs when supervisory data is unavailable. GCL views a heterogeneous graph from Euclidean and hyperbolic perspective simultaneously, aiming to make a strong merger of the ability of modeling rich semantics and complex structures, which is expected to bring in more benefits for downstream tasks. GCL maximizes the mutual information between two geometric views by contrasting representations at both local-local and local-global semantic levels. Extensive experiments on four benchmarks data sets show that the proposed approach outperforms the strong baselines, including both unsupervised methods and supervised methods, on three tasks, including node classification, node clustering and similarity search.

cs.LG↗