In this article, we present a framework for designing neural networks that remain consistent with the underlying principles of agent-based models. We begin by highlighting the limitations of standard neural differential equations in modeling complex systems, where physical invariants (like energy) are often absent but other constraints (like mass conservation, information locality, bounded rationality) must be enforced. To address this, we introduce Agent-Based-Model informed Neural Networks (ABM-NNs), which leverage restricted graph neural networks and hierarchical decomposition to learn interpretable, structure-preserving dynamics. We validate the framework across three case studies of increasing complexity: (i) a Generalized Lotka-Volterra system, where we recover ground-truth parameters from short trajectories in presence of interventions; (ii) a graph-based SIR contagion model, where our method outperforms state-of-the-art graph learning baselines (GCN, GraphSAGE, Graph Transformer) in out-of-sample forecasting and noise robustness; and (iii) a real-world macroeconomic model of the ten largest economies, where we learn coupled GDP dynamics from empirical data and demonstrate counterfactual analysis for policy interventions.

Moreover, the high-fidelity data generated by detailed simulation models can be difficult for decision-makers to interpret and relate to policy interventions that act system-wide [Haldane and Turrell, 2018].

The Cellular-Potts model is a powerful and ubiquitous framework for developing computational models for simulating complex multicellular biological systems. Cellular-Potts models (CPMs) are often computationally expensive due to the explicit modeling of interactions among large numbers of individual model agents and diffusive fields described by partial differential equations (PDEs). In this work, we develop a convolutional neural network (CNN) surrogate model using a U-Net architecture that accounts for periodic boundary conditions. We use this model to accelerate the evaluation of a mechanistic CPM previously used to investigate in vitro vasculogenesis. The surrogate model was trained to predict 100 computational steps ahead (Monte-Carlo steps, MCS), accelerating simulation evaluations by a factor of 590 times compared to CPM code execution. Over multiple recursive evaluations, our model effectively captures the emergent behaviors demonstrated by the original Cellular-Potts model of such as vessel sprouting, extension and anastomosis, and contraction of vascular lacunae. This approach demonstrates the potential for deep learning to serve as efficient surrogate models for CPM simulations, enabling faster evaluation of computationally expensive CPM of biological processes at greater spatial and temporal scales.

Agent-based simulation is an indispensable paradigm for studying complex systems. These systems can comprise billions of agents, requiring the computing resources of multiple servers to simulate. Unfortunately, the state-of-the-art platform, BioDynaMo, does not scale out across servers due to its shared-memory-based implementation. To overcome this key limitation, we introduce TeraAgent, a distributed agent-based simulation engine. A critical challenge in distributed execution is the exchange of agent information across servers, which we identify as a major performance bottleneck. We propose two solutions: 1) a tailored serialization mechanism that allows agents to be accessed and mutated directly from the receive buffer, and 2) leveraging the iterative nature of agent-based simulations to reduce data transfer with delta encoding. Built on our solutions, TeraAgent enables extreme-scale simulations with half a trillion agents (an 84x improvement), reduces time-to-result with additional compute nodes, improves interoperability with third-party tools, and provides users with more hardware flexibility.

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.

We provide a comprehensive examination of agent-based approaches that codify the principles and linkages underlying multi-agent systems, simulations, and information systems. Based on two decades of study, this paper confirms a framework intended as a formal specification for geosimulation platforms. Our findings show that large language models (LLMs) can be effectively incorporated as agent components if they follow a structured architecture specific to fundamental agent activities such as perception, memory, planning, and action. This integration is precisely consistent with the architecture that we formalize, providing a solid platform for next-generation geosimulation systems.

Many of society's most pressing challenges, from pandemic response to supply chain disruptions to climate adaptation, emerge from the collective behavior of millions of autonomous agents making decisions over time. Large Population Models (LPMs) offer an approach to understand these complex systems by simulating entire populations with realistic behaviors and interactions at unprecedented scale. LPMs extend traditional modeling approaches through three key innovations: computational methods that efficiently simulate millions of agents simultaneously, mathematical frameworks that learn from diverse real-world data streams, and privacy-preserving communication protocols that bridge virtual and physical environments. This allows researchers to observe how agent behavior aggregates into system-level outcomes and test interventions before real-world implementation. While current AI advances primarily focus on creating "digital humans" with sophisticated individual capabilities, LPMs develop "digital societies" where the richness of interactions reveals emergent phenomena. By bridging individual agent behavior and population-scale dynamics, LPMs offer a complementary path in AI research illuminating collective intelligence and providing testing grounds for policies and social innovations before real-world deployment. We discuss the technical foundations and some open problems here. LPMs are implemented by the AgentTorch framework (github.com/AgentTorch/AgentTorch)

The emergence of Large Language Models (LLMs) with increasingly sophisticated natural language understanding and generative capabilities has sparked interest in the Agent-based Modelling (ABM) community. With their ability to summarize, generate, analyze, categorize, transcribe and translate text, answer questions, propose explanations, sustain dialogue, extract information from unstructured text, and perform logical reasoning and problem-solving tasks, LLMs have a good potential to contribute to the modelling process. After reviewing the current use of LLMs in ABM, this study reflects on the opportunities and challenges of the potential use of LLMs in ABM. It does so by following the modelling cycle, from problem formulation to documentation and communication of model results, and holding a critical stance.

It is now well understood that diverse datasets provide a lot of value in key epidemiology and public health analyses, such as forecasting and nowcasting, development of epidemic models, evaluation and design of interventions and resource allocation. Some of these datasets are often sensitive, and need adequate privacy protections. There are many models of privacy, but Differential Privacy (DP) has become a de facto standard because of its strong guarantees, without making models about adversaries. In this paper, we develop a framework the integrates deep learning and epidemic models to simultaneously perform epidemic forecasting and learning a mechanistic model of epidemic spread, while incorporating multiple datasets for these analyses, including some with DP guarantees. We demonstrate our framework using a realistic but synthetic financial dataset with DP; such a dataset has not been used in such epidemic analyses. We show that this dataset provides significant value in forecasting and learning an epidemic model, even when used with DP guarantees.