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.

Magnetic particle imaging (MPI) is an emerging medical imaging modality which has gained increasing interest in recent years. Among the benefits of MPI are its high temporal resolution, and that the technique does not expose the specimen to any kind of ionizing radiation. It is based on the non-linear response of magnetic nanoparticles to an applied magnetic field. From the electric signal measured in receive coils, the particle concentration has to be reconstructed. Due to the ill-posedness of the reconstruction problem, various regularization methods have been proposed for reconstruction ranging from early stopping methods, via classical Tikhonov regularization and iterative methods to modern machine learning approaches. In this work, we contribute to the latter class: we propose a plug-and-play approach based on a generic zero-shot denoiser with an $\ell^1$-prior. Moreover, we develop parameter selection strategies. Finally, we quantitatively and qualitatively evaluate the proposed algorithmic scheme on the 3D Open MPI data set with different levels of preprocessing.

We introduce a new method based on nonnegative matrix factorization, Neural NMF, for detecting latent hierarchical structure in data. Datasets with hierarchical structure arise in a wide variety of fields, such as document classification, image processing, and bioinformatics. Neural NMF recursively applies NMF in layers to discover overarching topics encompassing the lower-level features. We derive a backpropagation optimization scheme that allows us to frame hierarchical NMF as a neural network. We test Neural NMF on a synthetic hierarchical dataset, the 20 Newsgroups dataset, and the MyLymeData symptoms dataset. Numerical results demonstrate that Neural NMF outperforms other hierarchical NMF methods on these data sets and offers better learned hierarchical structure and interpretability of topics.