Graph-structured data occurs in numerous application domains such as social networks, bioinfor-matics, natural language processing, and relational knowledge bases.

The emergence of Large Language Models (LLMs) demonstrates their potential to encapsulate the logic and patterns inherent in human behavior simulation by leveraging extensive web data pre-training. However, the boundaries of LLM capabilities in social simulation remain unclear. To further explore the social attributes of LLMs, we introduce the CiteAgent framework, designed to generate citation networks based on human-behavior simulation with LLM-based agents. CiteAgent successfully captures predominant phenomena in real-world citation networks, including power-law distribution, citational distortion, and shrinking diameter. Building on this realistic simulation, we establish two LLM-based research paradigms in social science: LLM-SE (LLM-based Survey Experiment) and LLM-LE (LLM-based Laboratory Experiment). These paradigms facilitate rigorous analyses of citation network phenomena, allowing us to validate and challenge existing theories. Additionally, we extend the research scope of traditional science of science studies through idealized social experiments, with the simulation experiment results providing valuable insights for real-world academic environments. Our work demonstrates the potential of LLMs for advancing science of science research in social science.

Graph Convolutional Networks (GCNs) have attracted more and more attentions in recent years. A typical GCN layer consists of a linear feature propagation step and a nonlinear transformation step. Recent works show that a linear GCN can achieve comparable performance to the original non-linear GCN while being much more computationally efficient. In this paper, we dissect the feature propagation steps of linear GCNs from a perspective of continuous graph diffusion, and analyze why linear GCNs fail to benefit from more propagation steps. Following that, we propose Decoupled Graph Convolution (DGC) that decouples the terminal time and the feature propagation steps, making it more flexible and capable of exploiting a very large number of feature propagation steps. Experiments demonstrate that our proposed DGC improves linear GCNs by a large margin and makes them competitive with many modern variants of non-linear GCNs. Code is available at https://github.com/yifeiwang77/DGC .

We use PyTorch to implement COLES and its variants.The propagation procedure is efficiently implemented with sparse-dense matrix multiplications.

While graph neural networks (GNNs) have shown remarkable performance across diverse graph-related tasks, their high-dimensional hidden representations render them black boxes. In this work, we propose Graph Lingual Network (GLN), a GNN built on large language models (LLMs), with hidden representations in the form of human-readable text. Through careful prompt design, GLN incorporates not only the message passing module of GNNs but also advanced GNN techniques, including graph attention and initial residual connection. The comprehensibility of GLN's hidden representations enables an intuitive analysis of how node representations change (1) across layers and (2) under advanced GNN techniques, shedding light on the inner workings of GNNs. Furthermore, we demonstrate that GLN achieves strong zero-shot performance on node classification and link prediction, outperforming existing LLM-based baseline methods.

Financial bubbles often arrive without much warning, but create long-lasting economic effects. For example, during the dot-com bubble, innovative technologies created market disruptions through excitement for a promised bright future. Such technologies originated from research where scientists had developed them for years prior to their entry into the markets. That raises a question on the possibility of analyzing scientific publishing data (e.g. citation networks) leading up to a bubble for signals that may forecast the rise and fall of similar future bubbles. To that end, we utilized temporal SNAs to detect possible relationships between the publication citation networks of scientists and financial market data during two modern eras of rapidly shifting technology: 1) dot-com era from 1994 to 2001 and 2) AI era from 2017 to 2024. Results showed that the patterns from the dot-com era (which did end in a bubble) did not definitively predict the rise and fall of an AI bubble. While yearly citation networks reflected possible changes in publishing behavior of scientists between the two eras, there was a subset of AI era scientists whose publication influence patterns mirrored those during the dot-com era. Upon further analysis using multiple analysis techniques (LSTM, KNN, AR X/GARCH), the data seems to suggest two possibilities for the AI era: unprecedented form of financial bubble unseen or that no bubble exists. In conclusion, our findings imply that the patterns present in the dot-com era do not effectively translate in such a manner to apply them to the AI market.

Text-attributed graphs(TAGs) are pervasive in real-world systems,where each node carries its own textual features. In many cases these graphs are inherently heterogeneous, containing multiple node types and diverse edge types. Despite the ubiquity of such heterogeneous TAGs, there remains a lack of large-scale benchmark datasets. This shortage has become a critical bottleneck, hindering the development and fair comparison of representation learning methods on heterogeneous text-attributed graphs. In this paper, we introduce CITE - Catalytic Information Textual Entities Graph, the first and largest heterogeneous text-attributed citation graph benchmark for catalytic materials. CITE comprises over 438K nodes and 1.2M edges, spanning four relation types. In addition, we establish standardized evaluation procedures and conduct extensive benchmarking on the node classification task, as well as ablation experiments on the heterogeneous and textual properties of CITE. We compare four classes of learning paradigms, including homogeneous graph models, heterogeneous graph models, LLM(Large Language Model)-centric models, and LLM+Graph models. In a nutshell, we provide (i) an overview of the CITE dataset, (ii) standardized evaluation protocols, and (iii) baseline and ablation experiments across diverse modeling paradigms.