1. Introduction
As exemplified by the Stanford Prison Experiment in 1973 (Haney et al., 1973; Zimbardo, 2007), the social and behavioral sciences have long faced a methodological and ethical dilemma. Researchers need to understand how people respond to institutions, roles, incentives, information, and group environments, yet they cannot freely place real participants into manipulated social situations for repeated experimentation. The closer an experiment comes to real social processes, the more likely it is to produce large and unpredictable consequences. Wage policies, digital targeting, platform-based public-opinion governance, collective mobilization, organizational coordination, and public-emotion interventions may all generate economic, psychological, or social consequences in real-world settings. Researchers can observe such consequences after they occur, but it is difficult to actively manipulate, regulate, and repeat them under controlled conditions in real populations.
The social sciences therefore need a simulation sandbox that can be run before real-world interventions. Such a sandbox would provide a low-risk, repeatable, and adjustable environment in which researchers can rehearse possible behavioral pathways, mechanism chains, and counterfactual outcomes before formal policies, communication interventions, or governance practices are implemented. For research on public policy, group communication, and social governance, such pre-experimental environments can supplement real-world evidence by helping researchers identify potential mechanisms, compare alternative conditions, and improve subsequent empirical research designs under lower-risk conditions.
To date, the social sciences have developed multiple alternative and simulation-based methods to address the ethical constraints, costs, and limited repeatability of real-world experiments. Natural experiments, quasi-experimental designs, wargaming, policy games, tabletop exercises, system dynamics, microsimulation, and agent-based modeling (ABM) each provide different ways of handling this problem.
Natural experiments and quasi-experimental designs provide social scientists with a real-world logic for causal identification. Researchers use policy changes, institutional differences, or external shocks that have already occurred to construct treatment and control groups, and then evaluate intervention effects through methods such as difference-in-differences, pre-trend tests, and placebo tests (Angrist & Pischke, 2009; Dunning, 2012; Imbens & Rubin, 2015). For example, Card and Krueger’s (1994, 2000) study of the New Jersey–Pennsylvania minimum wage case used a real policy change to construct treatment and comparison conditions, allowing researchers to compare changes in wages, employment, and prices. The advantage of natural experiments lies in their proximity to real social processes, but their limitation is that researchers cannot actively set the timing, intensity, external disturbances, or repeated implementation of the intervention.
Wargaming, policy games, and tabletop exercises provide another process-oriented simulation pathway. These methods use structured scenarios, role assignment, multi-round actions, strategic interaction, and situational adjudication to explore complex social processes. Policy games, role-playing simulations, serious games, and participatory simulations extend this logic by allowing participants to act as different roles and make continuous decisions within constrained environments (Mayer, 2009). Such methods can represent incomplete information, conflicting goals, and strategic adaptation among multiple actors. However, they are often limited by weaker reproducibility, insufficient quantitative outputs, and a dependence on participant experience or expert adjudication.
Computational social simulation further transforms social processes into executable models. System dynamics is suitable for modeling macro-level feedback loops, microsimulation is suitable for projecting policy effects at the individual level, and ABM simulates macro-level emergence through heterogeneous agents, local interactions, and environmental rules (Bonabeau, 2002; Epstein, 1999; Gilbert & Troitzsch, 2005; Railsback & Grimm, 2019). ABM allows researchers to define agent types, behavioral rules, interaction structures, and environmental states, and to observe system behavior through repeated runs. However, the behavioral rules of agents in ABM are usually specified manually by researchers. When the research object involves linguistic action, role interpretation, institutional meaning, local information, and situational judgment, fixed functions and heuristic rules often struggle to capture the behavioral logic of real actors. Put simply, in traditional ABM, agents cannot use natural language to describe or explain their own behavior in detail.
LLM-driven ABM lies at the intersection of these methodological traditions. It absorbs the treatment-control and counterfactual logic of natural experiments, extends the multi-role, multi-round, and situational interaction logic of wargaming and policy games, preserves the agent modeling, state updating, and repeatable execution of ABM, and uses large language models (LLMs) to enhance linguistic, role-based, and context-sensitive behavioral generation. The introduction of LLMs gives ABM a more dynamic and language-sensitive form of behavioral simulation. Agents can generate actions and reasons based on role cards, local information, external rules, and current-round events, while researchers can transform these actions into structured variables for statistical testing, process auditing, and cross-case comparison.
1.1. The Rise of AI-Driven Social Simulation Platforms and the Methodological Gap
In recent years, several representative AI-driven social simulation systems have emerged. Generative Agents demonstrated the ability of LLM agents to generate memory, reflection, planning, and everyday interaction in a small sandbox society (Park et al., 2023). Agent Hospital embedded agents such as doctors, nurses, and patients into a virtual hospital process to simulate multi-stage medical behavior (Li et al., 2024). OASIS and AgentSociety further extended this line of work toward social media communication and large-scale simulations of social life, exploring information diffusion, group polarization, external shocks, and public policy (Yang et al., 2024; Piao et al., 2025). These studies show that AI-driven social simulation has moved from proof-of-concept demonstrations toward platform-based practice. However, existing platforms often focus on specific scenarios, fixed environments, or system-level capabilities.
Unlike AI social simulation platforms centered on fixed scenarios, this study focuses on a transferable research method: how to organize LLM-driven ABM into a configurable, auditable, and empirically assessable simulation experiment. This study operationalizes that method as Multi-Agent Social Simulation (MASS), whose core is a reusable research protocol. Researchers need to define role clusters, temporal granularity, exogenous rules, information boundaries, output structures, and validation indicators around specific research questions, while maintaining comparability across treatment, control, or counterfactual conditions. In this sense, prompt design, role cards, rule tables, output schemas, logging mechanisms, and validation matrices are no longer merely engineering configurations. They become components of the research design, corresponding respectively to behavioral generation, variable construction, experimental conditions, process auditing, and methodological validity assessment.
Protocolization is the key condition for transforming LLM-driven ABM from narrative role-playing into a verifiable research method. Naive LLM-agent simulations usually provide models with role prompts and ask them to continuously output actions or opinions. Such practices can quickly generate seemingly plausible narrative results, but they are also prone to problems such as blurred temporal boundaries, role drift, omniscient perspectives, rule drift, non-computable outputs, invalid numerical values, and difficulties in replication. To be used in behavioral and social science research, LLM-driven ABM needs to integrate rounds, roles, information, rules, outputs, checks, and validation into an explicit protocol. Only then can the simulation process be recorded, the simulation results audited, and different runs, conditions, and cases compared on an empirical basis.
1.2. Research Questions and Contributions
Based on the methodological positioning above, this study proposes three research questions.
RQ1: Can LLM-driven ABM serve as a method for simulating social behavior in behavioral science?
RQ2: What methodological failures arise in naive LLM-agent simulation, and what forms of protocolized control are needed to mitigate them?
RQ3: After protocolized control is introduced, can LLM-driven ABM generate auditable, empirically assessable simulation outputs with evidence of cross-scenario applicability across different social-behavioral settings?
This study makes four main contributions in relation to these questions.
First, starting from the ethical boundaries of real-world social experimentation, this study proposes the value of LLM-driven ABM as a low-risk pre-experimental method. This method does not replace experiments with real participants or natural experiments. Rather, it provides a simulation space for mechanism rehearsal, risk identification, and counterfactual comparison.
Second, this study diagnoses the typical failure modes of naive LLM-agent simulation and translates blurred temporal boundaries, role drift, omniscient perspectives, rule drift, non-computable outputs, invalid numerical values, and replication difficulties into operational protocol-control items.
Third, this study proposes a protocolized LLM-driven ABM framework that incorporates prompts, role cards, rule tables, information boundaries, output schemas, harness checks, and validation targets into the research design. Through this framework, LLM-driven ABM can generate behavioral simulation outputs that are auditable, reproducible, and empirically comparable.
Fourth, this study conducts a multi-evidence evaluation through three social-behavioral cases: a minimum wage policy shock, a digital-campaigning information intervention, and urban tourism public-opinion dynamics. These three cases jointly test the method’s data analyzability, counterfactual comparability, group-ordering consistency, and process-explanation capacity.