The risk of indoor airborne transmission among co-located individuals is generally non-uniform, which remains a critical challenge for public health modelling. Thus, we present CompARE, an integrated risk assessment framework for indoor airborne disease transmission that reveals a striking bimodal distribution of infection risk driven by airflow dynamics and human behavior. Combining computational fluid dynamics (CFD), machine learning (ML), and agent-based modeling (ABM), our model captures the complex interplay between aerosol transport, human mobility, and environmental context. Based on a prototypical childcare center, our approach quantifies how incorporation of ABM can unveil significantly different infection risk profiles across agents, with more than two-fold change in risk of infection between the individuals with the lowest and highest risks in more than 90% of cases, despite all individuals being in the same overall environment. We found that infection risk distributions can exhibit not only a striking bimodal pattern in certain activities but also exponential decay and fat-tailed behavior in others. Specifically, we identify low-risk modes arising from source containment, as well as high-risk tails from prolonged close contact. Our approach enables near-real-time scenario analysis and provides policy-relevant quantitative insights into how ventilation design, spatial layout, and social distancing policies can mitigate transmission risk. These findings challenge simple distance-based heuristics and support the design of targeted, evidence-based interventions in high-occupancy indoor settings.

Agent-Based Models (ABMs) are powerful tools for studying emergent properties in complex systems. In ABMs, agent behaviors are governed by local interactions and stochastic rules. However, these rules are, in general, non-differentiable, limiting the use of gradient-based methods for optimization, and thus integration with real-world data. We propose a novel framework to learn a differentiable surrogate of any ABM by observing its generated data. Our method combines diffusion models to capture behavioral stochasticity and graph neural networks to model agent interactions. Distinct from prior surrogate approaches, our method introduces a fundamental shift: rather than approximating system-level outputs, it models individual agent behavior directly, preserving the decentralized, bottom-up dynamics that define ABMs. We validate our approach on two ABMs (Schelling's segregation model and a Predator-Prey ecosystem) showing that it replicates individual-level patterns and accurately forecasts emergent dynamics beyond training. Our results demonstrate the potential of combining diffusion models and graph learning for data-driven ABM simulation.

Designing institutions for social-ecological systems requires models that capture heterogeneity, uncertainty, and strategic interaction. Multiple modeling approaches have emerged to meet this challenge, including empirical game-theoretic analysis (EGTA), which merges ABM's scale and diversity with game-theoretic models' formal equilibrium analysis. The newly popular class of LLM-driven simulations provides yet another approach, and it is not clear how these approaches can be integrated with one another, nor whether the resulting simulations produce a plausible range of behaviours for real-world social-ecological governance. To address this gap, we compare four LLM-augmented frameworks: procedural ABMs, generative ABMs, LLM-EGTA, and expert guided LLM-EGTA, and evaluate them on a real-world case study of irrigation and fishing in the Amu Darya basin under centralized and decentralized governance. Our results show: first, procedural ABMs, generative ABMs, and LLM-augmented EGTA models produce strikingly different patterns of collective behaviour, highlighting the value of methodological diversity. Second, inducing behaviour through system prompts in LLMs is less effective than shaping behaviour through parameterized payoffs in an expert-guided EGTA-based model.

This paper establishes the theoretical limits of graph clustering under the Popularity-Adjusted Block Model (PABM), addressing limitations of existing models. In contrast to the Stochastic Block Model (SBM), which assumes uniform vertex degrees, and to the Degree-Corrected Block Model (DCBM), which applies uniform degree corrections across clusters, PABM introduces separate popularity parameters for intra- and inter-cluster connections. Our main contribution is the characterization of the optimal error rate for clustering under PABM, which provides novel insights on clustering hardness: we demonstrate that unlike SBM and DCBM, cluster recovery remains possible in PABM even when traditional edge-density signals vanish, provided intra- and inter-cluster popularity coefficients differ. This highlights a dimension of degree heterogeneity captured by PABM but overlooked by DCBM: local differences in connectivity patterns can enhance cluster separability independently of global edge densities. Finally, because PABM exhibits a richer structure, its expected adjacency matrix has rank between $k$ and $k^2$, where $k$ is the number of clusters. As a result, spectral embeddings based on the top $k$ eigenvectors may fail to capture important structural information. Our numerical experiments on both synthetic and real datasets confirm that spectral clustering algorithms incorporating $k^2$ eigenvectors outperform traditional spectral approaches.

This is the first part of the comprehensive review, focusing on the historical development of Agent-Based Modeling (ABM) and its classic cases. It begins by discussing the development history and design principles of Agent-Based Modeling (ABM), helping readers understand the significant challenges that traditional physical simulation methods face in the social domain. Then, it provides a detailed introduction to foundational models for simulating social systems, including individual models, environmental models, and rule-based models. Finally, it presents classic cases of social simulation, covering three types: thought experiments, mechanism exploration, and parallel optimization.

In this paper, we present the first systematic comparison of Data Assimilation (DA) and Likelihood-Based Inference (LBI) in the context of Agent-Based Models (ABMs). These models generate observable time series driven by evolving, partially-latent microstates. Latent states need to be estimated to align simulations with real-world data -- a task traditionally addressed by DA, especially in continuous and equation-based models such as those used in weather forecasting. However, the nature of ABMs poses challenges for standard DA methods. Solving such issues requires adaptation of previous DA techniques, or ad-hoc alternatives such as LBI. DA approximates the likelihood in a model-agnostic way, making it broadly applicable but potentially less precise. In contrast, LBI provides more accurate state estimation by directly leveraging the model's likelihood, but at the cost of requiring a hand-crafted, model-specific likelihood function, which may be complex or infeasible to derive. We compare the two methods on the Bounded-Confidence Model, a well-known opinion dynamics ABM, where agents are affected only by others holding sufficiently similar opinions. We find that LBI better recovers latent agent-level opinions, even under model mis-specification, leading to improved individual-level forecasts. At the aggregate level, however, both methods perform comparably, and DA remains competitive across levels of aggregation under certain parameter settings. Our findings suggest that DA is well-suited for aggregate predictions, while LBI is preferable for agent-level inference.

Calibrating agent-based epidemic models is computationally demanding. We present a supervised machine learning calibrator that learns the inverse mapping from epidemic time series to SIR parameters. A three-layer bidirectional LSTM ingests 60-day incidence together with population size and recovery rate, and outputs transmission probability, contact rate, and R0. Training uses a composite loss with an epidemiology-motivated consistency penalty that encourages R0 \* recovery rate to equal transmission probability \* contact rate. In a 1000-scenario simulation study, we compare the calibrator with Approximate Bayesian Computation (likelihood-free MCMC). The method achieves lower error across all targets (MAE: R0 0.0616 vs 0.275; transmission 0.0715 vs 0.128; contact 1.02 vs 4.24), produces tighter predictive intervals with near nominal coverage, and reduces wall clock time from 77.4 s to 2.35 s per calibration. Although contact rate and transmission probability are partially nonidentifiable, the approach reproduces epidemic curves more faithfully than ABC, enabling fast and practical calibration. We evaluate it on SIR agent based epidemics generated with epiworldR and provide an implementation in R.