Haiming Chen

Chengyu Yao, Hong Huang, Hang Gao et al.

Graph Neural Networks (GNNs) have been widely employed for feature representation learning in molecular graphs. Therefore, it is crucial to enhance the expressiveness of feature representation to ensure the effectiveness of GNNs. However, a significant portion of current research primarily focuses on the structural features within individual molecules, often overlooking the structural similarity between molecules, which is a crucial aspect encapsulating rich information on the relationship between molecular properties and structural characteristics. Thus, these approaches fail to capture the rich semantic information at the molecular structure level. To bridge this gap, we introduce the \textbf{Molecular Structural Similarity Motif GNN (MSSM-GNN)}, a novel molecular graph representation learning method that can capture structural similarity information among molecules from a global perspective. In particular, we propose a specially designed graph that leverages graph kernel algorithms to represent the similarity between molecules quantitatively. Subsequently, we employ GNNs to learn feature representations from molecular graphs, aiming to enhance the accuracy of property prediction by incorporating additional molecular representation information. Finally, through a series of experiments conducted on both small-scale and large-scale molecular datasets, we demonstrate that our model consistently outperforms eleven state-of-the-art baselines. The codes are available at https://github.com/yaoyao-yaoyao-cell/MSSM-GNN.

Xiaoying Mou, Haiming Chen

Extended regular expressions with counting and interleaving are widely used in practice. However the related theoretical studies for this kind of expressions currently cannot meet the need of practical work. This paper develops syntax definitions for extended deterministic expressions and their subclasses, hope to completely solve the long-standing problem that there are no syntax definitions for this kind of expressions, which has become an important reason for restricting the use of extended expressions.

Hong Huang, Chengyu Yao, Haiming Chen et al.

Attributed graphs, typically characterized by irregular topologies and a mix of numerical and categorical attributes, are ubiquitous in diverse domains such as social networks, bioinformatics, and cheminformatics. While graph kernels provide a principled framework for measuring graph similarity, existing kernel methods often struggle to simultaneously capture heterogeneous attribute semantics and neighborhood information in attributed graphs. In this work, we propose the Neighborhood-Aware Star Kernel (NASK), a novel graph kernel designed for attributed graph learning. NASK leverages an exponential transformation of the Gower similarity coefficient to jointly model numerical and categorical features efficiently, and employs star substructures enhanced by Weisfeiler-Lehman iterations to integrate multi-scale neighborhood structural information. We theoretically prove that NASK is positive definite, ensuring compatibility with kernel-based learning frameworks such as SVMs. Extensive experiments are conducted on eleven attributed and four large-scale real-world graph benchmarks. The results demonstrate that NASK consistently achieves superior performance over sixteen state-of-the-art baselines, including nine graph kernels and seven Graph Neural Networks.

Yeting Li, Shuaimin Li, Zhiwu Xu et al.

Since regular expressions (abbrev. regexes) are difficult to understand and compose, automatically generating regexes has been an important research problem. This paper introduces TransRegex, for automatically constructing regexes from both natural language descriptions and examples. To the best of our knowledge, TransRegex is the first to treat the NLP-and-example-based regex synthesis problem as the problem of NLP-based synthesis with regex repair. For this purpose, we present novel algorithms for both NLP-based synthesis and regex repair. We evaluate TransRegex with ten relevant state-of-the-art tools on three publicly available datasets. The evaluation results demonstrate that the accuracy of our TransRegex is 17.4%, 35.8% and 38.9% higher than that of NLP-based approaches on the three datasets, respectively. Furthermore, TransRegex can achieve higher accuracy than the state-of-the-art multi-modal techniques with 10% to 30% higher accuracy on all three datasets. The evaluation results also indicate TransRegex utilizing natural language and examples in a more effective way.

Yeting Li, Haiming Chen, Xiaolan Zhang et al.

The advantages offered by the presence of a schema are numerous. However, many XML documents in practice are not accompanied by a (valid) schema, making schema inference an attractive research problem. The fundamental task in XML schema learning is inferring restricted subclasses of regular expressions. Most previous work either lacks support for interleaving or only has limited support for interleaving. In this paper, we first propose a new subclass Single Occurrence Regular Expressions with Interleaving (SOIRE), which has unrestricted support for interleaving. Then, based on single occurrence automaton and maximum independent set, we propose an algorithm iSOIRE to infer SOIREs. Finally, we further conduct a series of experiments on real datasets to evaluate the effectiveness of our work, comparing with both ongoing learning algorithms in academia and industrial tools in real-world. The results reveal the practicability of SOIRE and the effectiveness of iSOIRE, showing the high preciseness and conciseness of our work.

Chunmei Dong, Yeting Li, Haiming Chen

The advantages for the presence of an XML schema for XML documents are numerous. However, many XML documents in practice are not accompanied by a schema or by a valid schema. Relax NG is a popular and powerful schema language, which supports the unconstrained interleaving operator. Focusing on the inference of Relax NG, we propose a new subclass of regular expressions with interleaving and design a polynomial inference algorithm. Then we conducted a series of experiments based on large-scale real data and on three XML data corpora, and experimental results show that our subclass has a better practicality than previous ones, and the regular expressions inferred by our algorithm are more precise.