We study exascale parallel algorithms for the selection of intervention or monitoring strategies in massive realistic socio-technical networks through scalable Influence Maximization (InfMax) algorithms.We employ novel techniques to enable efficient scaling on up to 8k nodes of OLCF Frontier, with 65k AMD GPUs and 458k AMD CPU cores.Current state-of-the-art InfMax tools are limited to networks with only a few million actors (vertices) and a few hundred million interactions (edges).By overcoming these limitations, ICS '25, June 08-11, 2025, Salt Lake City, UT, USA Minutoli et al.we show that our approach is capable of processing a realistic social contact network of the United States with 285 million nodes and about 8 billion edges.This two ordersof-magnitude improvement over the previous state-of-theart is obtained by leveraging algorithmic advancements for the InfMax problem and designing several problem-specific approaches to overlap communication with computation, improve GPU efficiency, and lower the application's memory requirements.We evaluate strong scaling for computing 10k most influential seeds using up to 8k nodes of an exascale system, and weak scaling from 128 to 8k system nodes for seed sets ranging from 625 to 40k seeds.We achieve the fastest-known runtime of 25 minutes while performing 48 million diffusion simulations totaling 2.31 petabytes to identify 40k influential seeds using 8k nodes, and take 5.75 minutes to identify 10k seeds while using 4k nodes.

We study the role of vaccine acceptance in controlling the spread of COVID-19 in the US using AI-driven agent-based models. Our study uses a 288 million node social contact network spanning all 50 US states plus Washington DC, comprised of 3300 counties, with 12.59 billion daily interactions. The highly-resolved agent-based models use realistic information about disease progression, vaccine uptake, production schedules, acceptance trends, prevalence, and social distancing guidelines. Developing a national model at this resolution that is driven by realistic data requires a complex scalable workflow, model calibration, simulation, and analytics components. Our workflow optimizes the total execution time and helps in improving overall human productivity.This work develops a pipeline that can execute US-scale models and associated workflows that typically present significant big data challenges. Our results show that, when compared to faster and accelerating vaccinations, slower vaccination rates due to vaccine hesitancy cause averted infections to drop from 6.7M to 4.5M, and averted total deaths to drop from 39.4K to 28.2K nationwide. This occurs despite the fact that the final vaccine coverage is the same in both scenarios. Improving vaccine acceptance by 10% in all states increases averted infections from 4.5M to 4.7M (a 4.4% improvement) and total deaths from 28.2K to 29.9K (a 6% increase) nationwide. The analysis also reveals interesting spatio-temporal differences in COVID-19 dynamics as a result of vaccine acceptance. To our knowledge, this is the first national-scale analysis of the effect of vaccine acceptance on the spread of COVID-19, using detailed and realistic agent-based models.

The COVID-19 pandemic brought to the forefront an unprecedented need for experts, as well as citizens, to visualize spatio-temporal disease surveillance data. Web application dashboards were quickly developed to fill t his g ap, b ut a ll of these dashboards supported a particular niche view of the pandemic (ie, current status or specific r egions). I n t his paper, we describe our work developing our COVID-19 Surveillance Dashboard, which offers a unique view of the pandemic while also allowing users to focus on the details that interest them. From the beginning, our goal was to provide a simple visual tool for comparing, organizing, and tracking near-real-time surveillance data as the pandemic progresses. In developing this dashboard, we also identified 6 key metrics which we propose as a standard for the design and evaluation of real-time epidemic science dashboards. Our dashboard was one of the first released to the public, and continues to be actively visited. Our own group uses it to support federal, state and local public health authorities, and it is used by individuals worldwide to track the evolution of the COVID-19 pandemic, build their own dashboards, and support their organizations as they plan their responses to the pandemic.

Here we present the ENteric Immunity Simulator (ENISI), a modeling system for the inflammatory and regulatory immune pathways triggered by microbe-immune cell interactions in the gut. With ENISI, immunologists and infectious disease experts can test and generate hypotheses for enteric disease pathology and propose interventions through experimental infection of an in silico gut. ENISI is an agent based simulator, in which individual cells move through the simulated tissues, and engage in context-dependent interactions with the other cells with which they are in contact. The scale of ENISI is unprecedented in this domain, with the ability to simulate $10^7$ cells for 250 simulated days on 576 cores in one and a half hours, with the potential to scale to even larger hardware and problem sizes. In this paper we describe the ENISI simulator for modeling mucosal immune responses to gastrointestinal pathogens. We then demonstrate the utility of ENISI by recreating an experimental infection of a mouse with Helicobacter pylori 26695. The results identify specific processes by which bacterial virulence factors do and do not contribute to pathogenesis associated with H. pylori strain 26695. These modeling results inform general intervention strategies by indicating immunomodulatory mechanisms such as those used in inflammatory bowel disease may be more appropriate therapeutically than directly targeting specific microbial populations through vaccination or by using antimicrobials.

This paper presents a technique for improving the efficiency of automated motion planners. Motion planning has application in many areas such as robotics, virtual reality systems, computer-aided design, and even computational biology. Although there have been steady advances in motion planning algorithms, especially in randomized approaches such as probabilistic roadmap methods (PRMs) or rapidly-exploring random trees (RRTs), there are still some classes of problems that cannot be solved efficiently using these state-of-the-art motion planners. In this paper, we suggest an iterative strategy addressing this problem where we first simplify the problem by relaxing some feasibility constraints, solve the easier version of the problem, and then use that solution to help us find a solution for the harder problem. We show how this strategy can be applied to rigid bodies and to linkages with high degrees of freedom, including both open and closed chain systems. Experimental results are presented for linkages composed of 9-98 links. Although we use PRMs as the automated planner, the framework is general and can be applied with other motion planning techniques as well.

We consider the motion planning problem for arbitrary articulated structures with one or more closed kinematic chains in a workspace with obstacles. This is an important class of problems and there are applications in many areas such as robotics, closed molecular chains, graphical animation, and reconfigurable robots. We use the kinematics-based probabilistic roadmap (KBPRM) strategy proposed in [Han, L and Amato, NM (March 2000)] that conceptually partitions the linkage into a set of open chains and applies random generation methods to some of the chains and traditional inverse kinematics methods to the others. The efficiency of the method depends critically on how the linkage is partitioned into open chains. The original method assumed the partition was provided as input to the problem. We propose a fully automated method for partitioning an arbitrary linkage into open chains and for determining which should be positioned using the inverse kinematic solver. Even so, the size (number of links) of the closed loops that can be handled by this method is limited because the inverse solver can only be applied to small chains. To handle high dof closed loops, we show how we can use the iterative relaxation of constraints (IRC) strategy proposed by Bayazit to efficiently handle large loops while still only using inverse kinematics for small chains. Our results in 3-dimensional workspaces both for planar and spatial linkages show that our framework performs well for general linkages. We also use our planner to simulate an adjustable lamp called Luxo. Using IRC, our planner can handle a single loop of up to 98 links.