As large language models (LLMs) transition from static tools to fully agentic systems, their potential for transforming social science research has become increasingly evident. This paper introduces a structured framework for understanding the diverse applications of LLM-based agents, ranging from simple data processors to complex, multi-agent systems capable of simulating emergent social dynamics. By mapping this developmental continuum across six levels, the paper clarifies the technical and methodological boundaries between different agentic architectures, providing a comprehensive overview of current capabilities and future potential. It highlights how lower-tier systems streamline conventional tasks like text classification and data annotation, while higher-tier systems enable novel forms of inquiry, including the study of group dynamics, norm formation, and large-scale social processes. However, these advancements also introduce significant challenges, including issues of reproducibility, ethical oversight, and the risk of emergent biases. The paper critically examines these concerns, emphasizing the need for robust validation protocols, interdisciplinary collaboration, and standardized evaluation metrics. It argues that while LLM-based agents hold transformative potential for the social sciences, realizing this promise will require careful, context-sensitive deployment and ongoing methodological refinement. The paper concludes with a call for future research that balances technical innovation with ethical responsibility, encouraging the development of agentic systems that not only replicate but also extend the frontiers of social science, offering new insights into the complexities of human behavior.

We present a comparative docking experiment that aligns human-subject interview data with large language model (LLM)-driven synthetic personas to evaluate fidelity, divergence, and blind spots in AI-enabled simulation. Fifteen early-stage startup founders were interviewed about their hopes and concerns regarding AI-powered validation, and the same protocol was replicated with AI-generated founder and investor personas. A structured thematic synthesis revealed four categories of outcomes: (1) Convergent themes - commitment-based demand signals, black-box trust barriers, and efficiency gains were consistently emphasized across both datasets; (2) Partial overlaps - founders worried about outliers being averaged away and the stress of real customer validation, while synthetic personas highlighted irrational blind spots and framed AI as a psychological buffer; (3) Human-only themes - relational and advocacy value from early customer engagement and skepticism toward moonshot markets; and (4) Synthetic-only themes - amplified false positives and trauma blind spots, where AI may overstate adoption potential by missing negative historical experiences. We interpret this comparative framework as evidence that LLM-driven personas constitute a form of hybrid social simulation: more linguistically expressive and adaptable than traditional rule-based agents, yet bounded by the absence of lived history and relational consequence. Rather than replacing empirical studies, we argue they function as a complementary simulation category - capable of extending hypothesis space, accelerating exploratory validation, and clarifying the boundaries of cognitive realism in computational social science.

Predictions and generations from large language models are increasingly being explored as an aid to computational social science and human subject research in limited data regimes. While previous technical work has explored the potential to use model-predicted labels for unlabeled data in a principled manner, there is increasing interest in using large language models to generate entirely new synthetic samples (also termed as synthetic simulations), such as in responses to surveys. However, it is not immediately clear by what means practitioners can combine such data with real data and yet produce statistically valid conclusions upon them. In this work, we introduce a new estimator based on generalized method of moments, providing a hyperparameter-free solution with strong theoretical guarantees to address the challenge at hand. Surprisingly, we find that interactions between the moment residuals of synthetic data and those of real data can improve estimates of the target parameter. We empirically validate the finite-sample performance of our estimator across different regression tasks in computational social science applications, demonstrating large empirical gains.

In this interview series, we're meeting some of the AAAI/SIGAI Doctoral Consortium participants to find out more about their research. The Doctoral Consortium provides an opportunity for a group of PhD students to discuss and explore their research interests and career objectives in an interdisciplinary workshop together with a panel of established researchers. In the third of our interviews with the 2025 cohort, we heard from Tunazzina Islam who has recently completed her PhD in Computer Science at Purdue University, advised by Dr Dan Goldwasser. Her primary research interests lie in computational social science (CSS), natural language processing (NLP), and social media mining and analysis. We now live in a world where we can reach people directly through social media, without relying on traditional media such as television and radio.

Social surveys in computational social science are well-designed by elaborate domain theories that can effectively reflect the interviewee's deep thoughts without concealing their true feelings. The candidate questionnaire options highly depend on the interviewee's previous answer, which results in the complexity of social survey analysis, the time, and the expertise required. The ability of large language models (LLMs) to perform complex reasoning is well-enhanced by prompting learning such as Chain-of-thought (CoT) but still confined to left-to-right decision-making processes or limited paths during inference. This means they can fall short in problems that require exploration and uncertainty searching. In response, a novel large language model prompting method, called Random Forest of Thoughts (RFoT), is proposed for generating uncertainty reasoning to fit the area of computational social science. The RFoT allows LLMs to perform deliberate decision-making by generating diverse thought space and randomly selecting the sub-thoughts to build the forest of thoughts. It can extend the exploration and prediction of overall performance, benefiting from the extensive research space of response. The method is applied to optimize computational social science analysis on two datasets covering a spectrum of social survey analysis problems. Our experiments show that RFoT significantly enhances language models' abilities on two novel social survey analysis problems requiring non-trivial reasoning.

Privacy is a human right. It ensures that individuals are free to engage in discussions, participate in groups, and form relationships online or offline without fear of their data being inappropriately harvested, analyzed, or otherwise used to harm them. Preserving privacy has emerged as a critical factor in research, particularly in the computational social science (CSS), artificial intelligence (AI) and data science domains, given their reliance on individuals' data for novel insights. The increasing use of advanced computational models stands to exacerbate privacy concerns because, if inappropriately used, they can quickly infringe privacy rights and lead to adverse effects for individuals -- especially vulnerable groups -- and society. We have already witnessed a host of privacy issues emerge with the advent of large language models (LLMs), such as ChatGPT, which further demonstrate the importance of embedding privacy from the start. This article contributes to the field by discussing the role of privacy and the issues that researchers working in CSS, AI, data science and related domains are likely to face. It then presents several key considerations for researchers to ensure participant privacy is best preserved in their research design, data collection and use, analysis, and dissemination of research results.

With the rise of computational social science, many scholars utilize data analysis and natural language processing tools to analyze social media, news articles, and other accessible data sources for examining political and social discourse. Particularly, the study of the emergence of echo-chambers due to the dissemination of specific information has become a topic of interest in mixed methods research areas. In this paper, we analyze data collected from two news portals, Breitbart News (BN) and New York Times (NYT) to prove the hypothesis that the formation of echo-chambers can be partially explained on the level of an individual information consumption rather than a collective topology of individuals' social networks. Our research findings are presented through knowledge graphs, utilizing a dataset spanning 11.5 years gathered from BN and NYT media portals. We demonstrate that the application of knowledge representation techniques to the aforementioned news streams highlights, contrary to common assumptions, shows relative "internal" neutrality of both sources and polarizing attitude towards a small fraction of entities. Additionally, we argue that such characteristics in information sources lead to fundamental disparities in audience worldviews, potentially acting as a catalyst for the formation of echo-chambers.

Charting the Landscape of Nefarious Applications of Generative Artificial Intelligence and Large Language Models Generative Artificial Intelligence (GenAI) and Large Language Models (LLMs) are marvels of technology; celebrated for their prowess in natural language processing and multimodal content generation, they promise a transformative future. But as with all powerful tools, they come with their shadows. Picture living in a world where deepfakes are indistinguishable from reality, where synthetic identities orchestrate malicious campaigns, and where targeted misinformation or scams are crafted with unparalleled precision. Welcome to the darker side of GenAI applications. This article is not just a journey through the meanders of potential misuse of GenAI and LLMs, but also a call to recognize the urgency of the challenges ahead. As we navigate the seas of misinformation campaigns, malicious content generation, and the eerie creation of sophisticated malware, we'll uncover the societal implications that ripple through the GenAI revolution we are witnessing. From AI-powered botnets on social media platforms to the unnerving potential of AI to generate fabricated identities, or alibis made of synthetic realities, the stakes have never been higher. The lines between the virtual and the real worlds are blurring, and the consequences of potential GenAI's nefarious applications impact us all. This article serves both as a synthesis of rigorous research presented on the risks of GenAI and misuse of LLMs and as a thought-provoking vision of the different types of harmful GenAI applications we might encounter in the near future, and some ways we can prepare for them. Permission to make digital or hard copies of part or all of this work for personal or classroom use is granted without fee provided that copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. INTRODUCTION In March 2019, a UK-based energy firm's CEO was duped out of $243,000.

Instruction-tuned Large Language Models (LLMs) have exhibited impressive language understanding and the capacity to generate responses that follow specific prompts. However, due to the computational demands associated with training these models, their applications often adopt a zero-shot setting. In this paper, we evaluate the zero-shot performance of two publicly accessible LLMs, ChatGPT and OpenAssistant, in the context of six Computational Social Science classification tasks, while also investigating the effects of various prompting strategies. Our experiments investigate the impact of prompt complexity, including the effect of incorporating label definitions into the prompt; use of synonyms for label names; and the influence of integrating past memories during foundation model training. The findings indicate that in a zero-shot setting, current LLMs are unable to match the performance of smaller, fine-tuned baseline transformer models (such as BERT-large). Additionally, we find that different prompting strategies can significantly affect classification accuracy, with variations in accuracy and F1 scores exceeding 10\%.

This dissertation proposes a framework of user-centered security in Natural Language Processing (NLP), and demonstrates how it can improve the accessibility of related research. Accordingly, it focuses on two security domains within NLP with great public interest. First, that of author profiling, which can be employed to compromise online privacy through invasive inferences. Without access and detailed insight into these models' predictions, there is no reasonable heuristic by which Internet users might defend themselves from such inferences. Secondly, that of cyberbullying detection, which by default presupposes a centralized implementation; i.e., content moderation across social platforms. As access to appropriate data is restricted, and the nature of the task rapidly evolves (both through lexical variation, and cultural shifts), the effectiveness of its classifiers is greatly diminished and thereby often misrepresented. Under the proposed framework, we predominantly investigate the use of adversarial attacks on language; i.e., changing a given input (generating adversarial samples) such that a given model does not function as intended. These attacks form a common thread between our user-centered security problems; they are highly relevant for privacy-preserving obfuscation methods against author profiling, and adversarial samples might also prove useful to assess the influence of lexical variation and augmentation on cyberbullying detection.