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Chuang Liu

Chuang Liu contributes to research discovery and scholarly infrastructure.

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Published work

9 published item(s)

preprint2026arXiv

GraphSculptor: Sculpting Pre-training Coreset for Graph Self-supervised Learning

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.

preprint2026arXiv

Transforming Acidic Corrosion and Embrittlement into a Hydrogen-Trapping Cage

The vision of a hydrogen economy demands efficient platforms to close the gap between sustainable proton sources and solid-state hydrogen carriers. Metal hydrides serve as key carriers, yet their synthesis remains constrained by the energy-intensive use of high-pressure H2, which fragments the hydrogen chain. Here, we overturn this paradigm by transforming two classic degradation mechanisms, acidic corrosion and hydrogen embrittlement, into a constructive materials-design strategy. We demonstrate that synergistic control of these processes in acid enables the in-situ engineering of a "hydrogen-trapping cage" (HTC) microstructure within metals. Composed of a dense defect network, this cage directly captures and stabilizes protons as hydrides under mild conditions, guided by the universal criterion |DeltaPeq| > DeltaPph. Using this platform, we synthesize over 20 hydrides, including challenging targets such as LiH and NaH, and showcase its functional power with a cage-rich titanium hydride electrocatalyst. This catalyst achieves an exceptional current density of 1.07 A cm-2 for nitrate-to-ammonia conversion, attributed to rapid H- transport within the engineered cage. This work establishes a transformative "failure-to-function" paradigm, delivering an integrated platform that unifies hydrogen capture, stabilization, and conversion.

preprint2022arXiv

Comprehensive Graph Gradual Pruning for Sparse Training in Graph Neural Networks

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.

preprint2022arXiv

Influence Maximization in Hypergraphs

Influence maximization in complex networks, i.e., maximizing the size of influenced nodes via selecting K seed nodes for a given spreading process, has attracted great attention in recent years. However, the influence maximization problem in hypergraphs, in which the hyperedges are leveraged to represent the interactions among more than two nodes, is still an open question. In this paper, we propose an adaptive degree-based heuristic algorithm, i.e., Heuristic Degree Discount (HDD), which iteratively selects nodes with low influence overlap as seeds, to solve the influence maximization problem in hypergraphs. We further extend algorithms from ordinary networks as baselines and compare the performance of the proposed algorithm and baselines on both real data and synthetic hypergraphs. Results show that HDD outperforms the baselines in terms of both effectiveness and efficiency. Moreover, the experiments on synthetic hypergraphs indicate that HDD shows high performance, especially in hypergraphs with heterogeneous degree distribution.

preprint2022arXiv

Multi-objective Pointer Network for Combinatorial Optimization

Multi-objective combinatorial optimization problems (MOCOPs), one type of complex optimization problems, widely exist in various real applications. Although meta-heuristics have been successfully applied to address MOCOPs, the calculation time is often much longer. Recently, a number of deep reinforcement learning (DRL) methods have been proposed to generate approximate optimal solutions to the combinatorial optimization problems. However, the existing studies on DRL have seldom focused on MOCOPs. This study proposes a single-model deep reinforcement learning framework, called multi-objective Pointer Network (MOPN), where the input structure of PN is effectively improved so that the single PN is capable of solving MOCOPs. In addition, two training strategies, based on representative model and transfer learning, respectively, are proposed to further enhance the performance of MOPN in different application scenarios. Moreover, compared to classical meta-heuristics, MOPN only consumes much less time on forward propagation to obtain the Pareto front. Meanwhile, MOPN is insensitive to problem scale, meaning that a trained MOPN is able to address MOCOPs with different scales. To verify the performance of MOPN, extensive experiments are conducted on three multi-objective traveling salesman problems, in comparison with one state-of-the-art model DRL-MOA and three classical multi-objective meta-heuristics. Experimental results demonstrate that the proposed model outperforms all the comparative methods with only 20\% to 40\% training time of DRL-MOA.

preprint2022arXiv

Toward Structural Controllability and Predictability in Directed Networks

The lack of studying the complex organization of directed network usually limits to the understanding of underlying relationship between network structures and functions. Structural controllability and structural predictability, two seemingly unrelated subjects, are revealed in this paper to be both highly dependent on the critical links previously thought to only be able to influence the number of driver nodes in controllable directed networks. Here, we show that critical links can not only contribute to structural controllability, but they can also have a significant impact on the structural predictability of networks, suggesting the universal pattern of structural reciprocity in directed networks. In addition, it is shown that the fraction and location of critical links have a strong influence on the performance of prediction algorithms. Moreover, these empirical results are interpreted by introducing the link centrality based on corresponding line graphs. This work bridges the gap between the two independent research fields, and it provides indications of developing advanced control strategies and prediction algorithms from a microscopic perspective.

preprint2022arXiv

Using EBGAN for Anomaly Intrusion Detection

As an active network security protection scheme, intrusion detection system (IDS) undertakes the important responsibility of detecting network attacks in the form of malicious network traffic. Intrusion detection technology is an important part of IDS. At present, many scholars have carried out extensive research on intrusion detection technology. However, developing an efficient intrusion detection method for massive network traffic data is still difficult. Since Generative Adversarial Networks (GANs) have powerful modeling capabilities for complex high-dimensional data, they provide new ideas for addressing this problem. In this paper, we put forward an EBGAN-based intrusion detection method, IDS-EBGAN, that classifies network records as normal traffic or malicious traffic. The generator in IDS-EBGAN is responsible for converting the original malicious network traffic in the training set into adversarial malicious examples. This is because we want to use adversarial learning to improve the ability of discriminator to detect malicious traffic. At the same time, the discriminator adopts Autoencoder model. During testing, IDS-EBGAN uses reconstruction error of discriminator to classify traffic records.

preprint2022arXiv

Vital node identification in hypergraphs via gravity model

Hypergraphs that can depict interactions beyond pairwise edges have emerged as an appropriate representation for modeling polyadic relations in complex systems. With the recent surge of interest in researching hypergraphs, the centrality problem has attracted abundant attention due to the challenge of how to utilize the higher-order structure for the definition of centrality metrics. In this paper, we propose a new centrality method (HGC) on the basis of the gravity model as well as a semi-local HGC (LHGC) which can achieve a balance between accuracy and computational complexity. Meanwhile, two comprehensive evaluation metrics, i.e., a complex contagion model in hypergraphs that mimics the group influence during the spreading process and network s-efficiency based on the higher-order distance between nodes, are first proposed to evaluate the effectiveness of our methods. The results show that our methods can filter out nodes that have fast spreading ability and are vital in terms of hypergraph connectivity.

preprint2020arXiv

Information Spreading Dynamics on Adaptive Social Networks

There is currently growing interest in modeling the information diffusion on social networks across multi-disciplines. The majority of the corresponding research has focused on information diffusion independently, ignoring the network evolution in the diffusion process. Therefore, it is more reasonable to describe the real diffusion systems by the co-evolution between network topologies and information states. In this work, we propose a mechanism considering the coevolution between information states and network topology simultaneously, in which the information diffusion was executed as an SIS process and network topology evolved based on the adaptive assumption. The theoretical analyses based on the Markov approach were very consistent with simulation. Both simulation results and theoretical analyses indicated that the adaptive process, in which informed individuals would rewire the links between the informed neighbors to a random non-neighbor node, can enhance information diffusion (leading to much broader spreading). In addition, we obtained that two threshold values exist for the information diffusion on adaptive networks, i.e., if the information propagation probability is less than the first threshold, information cannot diffuse and dies out immediately; if the propagation probability is between the first and second threshold, information will spread to a finite range and die out gradually; and if the propagation probability is larger than the second threshold, information will diffuse to a certain size of population in the network. These results may shed some light on understanding the co-evolution between information diffusion and network topology.