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At least 955 records · Page 53

Highly Multiplexed Assays for Detection of Biothreat and Food Safety Agents Final Report CRADA No. TC02156.0

This was a collaborative effort between Lawrence Livermore National Security, LLC as manager and operator of Lawrence Livermore National Laboratory (LLNL) and BioSearch Technologies Inc. (BTI) of Novato, California, to develop Multiplexed Molecular Assays for the Rapid and Sensitive Detection of Microbial Agents of Concern for Bioterrorism and Food Safety for the Food and Drug Administration (FDA) Center for Food Safety and Applied Nutrition (CFSAN). There are no outstanding leans for this project.

59 BASIC BIOLOGICAL SCIENCES↗

Novel Chemistry to Support the Detection of Advanced Chemical Agents

Recent news reports coming from Asia and the UK have highlighted the emerging threats of Non-Traditional Agents (NTAs) to national security. The UK incident underscores how NTAs may linger in the environment and at trace. Building on Sandia's extensive analytical chemistry work in this field, a polysilphenylene analog of Sandia's proprietary DKAP polymer coatings was synthesized and evaluated for high temperature operation. Initial test results are inconclusive as to the improved thermal stability of the new polymer with TGA/DSC results indicating a lower glass transition go temperature for the new "Hot DKAP" material and a similar to slightly lower start to mass loss for "Hot DKAP", but slower degradation rate in clean dry air. Additional testing with a TGA-MS system to identify what the fragments lost as a function of temperature is still needed to fully characterize the materials thermal properties. In addition, the material still needs to be evaluated for thermodynamic properties for analytes of interest using either GC or SPC coated devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Agent-Based Transportation Energy Analysis Model: Methodology and Initial Results (CRADA 16155)

This report documents the efforts of Argonne and Exelon researchers to implement an agent-based model of charging demand and infrastructure expansion for the seven-county Chicago metropolitan area. Conducted as a project task under a broad Cooperative Research and Development Agreement (CRADA) between Argonne National Laboratory and Exelon, the project spanned a roughly 15-month time period during which Argonne and Exelon researchers developed a close working relationship. In addition to face-to-face meetings - both at the Laboratory and at Exelon’s offices in Washington, DC - bi-weekly web-enabled meetings and a file-sharing folder facilitated interaction and document sharing among the project team. Team members represented a broad cross-section of skill sets and internal organizations.

33 ADVANCED PROPULSION SYSTEMS↗

SEDONA SpEctroscopic Detection Of Nerve Agents

Although the threat of a liquid explosive attack on a passenger aircraft has been mitigated by limiting the size of carry-on bottles, highly potent chemicals (e.g., nerve agents) are a very serious threat. A single travel bottle full of such chemicals would cause great harm to many people and create a national security incident disrupting civilian air travel. Current screening methods to detect highly potent chemicals require opening a closed bottle. Experts at Los Alamos National Laboratory have developed SEDONA, a low magnetic field nuclear magnetic resonance (NMR) to detect chemical threats through unopened bottles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Autonomous reinforcement learning agents for improving predictions and observations of extreme climate events

Primary Focus Area: This proposal addresses focus area 2, “Predictive modeling through the use of AI techniques.” Science Challenge: Extreme climate events associated with severe weather, coastal and inland flooding, droughts, heat waves and wildfires are expected to increase in frequency and severity in the future. Due to the complexity and chaotic behavior of the climate system, accurately predicting and observing extreme climate events requires a tremendous amount of human intervention to run predictive climate simulations and deploy measurement systems. Extreme events often unfold very quickly, leaving little time to iterate on simulations or re-position instruments. Through reinforcement learning, autonomous AI agents can be designed to make real-time decisions to characterize extreme climate events more efficiently through adaptive models and targeted observations.

54 ENVIRONMENTAL SCIENCES↗

Next Generation Chemical Agent Detection Architecture [Poster]

Sandia National Labs (SNL)-designed, portable chemical warfare agent (CWA) detection systems consist of three-stages: collection, separation, and detection. We use microfabrication technologies to miniaturize these stages and to reduce the overall size, weight, power, and (potentially) cost of the final system. Our newest system consists of a multi-dimensional separation stage and an miniature ion mobility spectrometer (IMS) detector for unprecedented system sensitivity, selectivity, and depth of target list.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Statistical Learning for Nonlinear Model Reduction from Local Simulations of Stochastic and Particle- and Agent-Based Systems

Stochastic physical systems across the sciences that have very high-dimensional state spaces, with a large number of fast degrees of freedom that force direct simulators to proceed by integration steps that are orders of magnitude smaller than events of interests (e.g., particle collisions). Examples range from molecular motion to dynamics of large populations of cells. A grand challenge in the simulation and understanding of such systems is the systematic construction of accurate, interpretable, reduced models, enabling faster simulations, revealing fundamental properties of the dynamics, and predicting phenomena of interest that the original simulator could not reached with sufficient accuracy or within a given computational budget. In this projected we developed novel statistical estimation/machine learning techniques for analyzing and building empirical reduced models for important families of high-dimensional stochastic systems, in particular: - we developed techniques for estimating interaction kernels in interacting particle- and agent-based systems, which are ubiquitous in Physics, Biology and many other sciences, given observed trajectories of the system; - we developed techniques for nonlinear model reduction for high-dimensional stochastic systems that have a small number of unknown, nonlinear slow variables, and a large number of fast modes, that are possibly of large magnitude, given observed short trajectories of the system in the form of bursts of trajectories from different initial conditions; - we developed novel techniques for estimating linear dynamical systems on graphs when both the dynamics and the underlying graph are unknown, and we have a sparse set of space-time observations; - we considered the problem of estimating an unknown nonlinear observation function of a standard process (e.g. Brownian motion), so that we can recognized if an observed dynamics is "just" a nonlinear version of a known dynamics; we also developed benchmarks for learning algorithms aimed at learning and classifying diffusion processes.

97 MATHEMATICS AND COMPUTING↗

Agent-Based Models for COVID-19 [Slides]

Goals: 1) Evaluate "what if” scenarios and mitigation strategies to combat COVID-19 spread within LANL and 2) perform retrospective analysis to assess accuracy of LANL COVID-19 agent-based model (ABM).

60 APPLIED LIFE SCIENCES↗

Integrated Dynamic Facade Control with an Agent-based Architecture for Commercial Buildings

Dynamic façades have significant technical potential to minimize heating, cooling, and lighting energy use and peak electric demand in the perimeter zone of commercial buildings, but the performance of these systems is reliant on being able to balance complex trade-offs between solar control, daylight admission, comfort, and view over the life of the installation. As the context for controllable energy-efficiency technologies grows more complex with the increased use of intermittent renewable energy resources on the grid, it has become increasingly important to look ahead towards more advanced approaches to integrated systems control in order to achieve optimum life-cycle performance at a lower cost. This study examines the feasibility of a model predictive control system for low-cost autonomous dynamic façades. A system architecture designed around lightweight, simple agents is proposed. The architecture accommodates whole building and grid level demands through its modular, hierarchical approach. Automatically-generated models for computing window heat gains, daylight illuminance, and discomfort glare are described. The open source Modelica and JModelica software tools were used to determine the optimum state of control given inputs of window heat gains and lighting loads for a 24-hour optimization horizon. Penalty functions for glare and view/ daylight quality were implemented as constraints. The control system was tested on a low-power controller (1.4 GHz single core with 2 GB of RAM) to evaluate feasibility. The target platform is a low-cost ($35/unit) embedded controller with 1.2 GHz dual-core cpu and 1 GB of RAM. Configuration and commissioning of the curtainwall unit was designed to be largely plug and play with minimal inputs required by the manufacturer through a web-based user interface. An example application was used to demonstrate optimal control of a three-zone electrochromic window for a south-facing zone. The overall approach was deemed to be promising. Further engineering is required to enable scalable, turnkey solutions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Pedestrian-Involved Traffic Signal Optimization Using Decentralized Graph-based Multi-Agent Reinforcement Learning

Incorporating pedestrian movements in traffic signal timing optimization is essential for ensuring smooth and safe urban transportation systems. To develop an effective signal timing plan, it is crucial to comprehend how various pedestrian accommodation strategies impact both vehicle and pedestrian flow. This study explores the application of the Decentralized Graph-based Multi-Agent Reinforcement Learning (DGMARL) method for signal timing optimization. It considers both pedestrian and vehicle traffic state and assesses the effects of fixed and adaptive pedestrian request response on traffic and signal timing. The evaluation of DGMARL encompasses vehicles Eco_PI which is fuel consumption impact related to vehicle stops and stop delay, and pedestrian waiting time to ensure overall system efficiency. The proposed approach was evaluated using a Digital Twin microscopic traffic simulation model of MLK Smart Corridor in Chattanooga, Tennessee. The evaluation outcomes of vehicles Eco_PI, pedestrian waiting time and serving time are compared with the actuated and DGMARL signal timing with fixed pedestrian recall and minimum recall to determine the most suitable approaches for various traffic conditions. The results indicated that, on average, the strategy of Signal timing optimization with adaptive pedestrian request response improved the Eco_PI by 32.43%, and Signal timing optimization with both automated pedestrian traffic demand and adaptive pedestrian request response improved the Eco_PI by 31.62% compared to the actuated and DGMARL signal timing with fixed pedestrian recall and minimum recall.

K Kumarasamy, Vijayalakshmi↗

Organizational Resilience in the Context of Information Quality: An Agent-Based Simulation of Structural and Cognitive Influences

This study examines how organizational structure and stress levels affect decision-making with poor quality information. Using an agent-based model, it finds loosely structured organizations are timely but less effective at filtering bad information, while tightly structured ones are slower but better at filtering. The research highlights a trade-off between timeliness and robustness and suggests an optimal stress level for decision-making efficacy.

99 GENERAL AND MISCELLANEOUS↗

Model-form Error Correction using Universal Differential Equations for an Agent-Based Model of Infectious Disease

This report demonstrates universal differential equations (UDEs) as an approach to bridge the gap between ordinary differential equations (ODE) models and agent-based models (ABMs). Using UDE models as surrogates for ABMs allows us to preserve the foundational ODE that represents global disease dynamics while coupling it with a neural network model to approximate functions for the local behaviors of the ABM.

59 BASIC BIOLOGICAL SCIENCES↗

Verifying LLM generative agents reflect human behavior in contested information environments to effectively simulate disinformation campaigns (Proteus)

Disinformation poses a significant and evolving threat to today’s online environment. Individuals encounter challenges in detecting disinformation, subsequently influencing their behavior and decision-making processes. Our research examines the potential use of large language model (LLM) generative agents (LGAs) to replicate human behavior to better understand how disinformation is spread in online environments. Using human subjects research, we first investigate how personality traits, individual differences, and demographic factors relate to decision-making in simulated online disinformation environments. Then, we examine whether LGAs can effectively replicate human responses in the same simulated online environments when assigned personality traits, demographic characteristics and behavioral attributes. Our findings indicate that LGAs can align with human decisions in these scenarios; however, alignment is contingent upon scenario context, persona settings and LLM selection. Results provide valuable insights for methodology refinement in future research and in utilizing LGAs to model complex national security challenges such as disinformation campaigns.

97 MATHEMATICS AND COMPUTING↗

Agent-based Modeling for the Multi-objective Optimization of Energy Production Pathways: Integrated Techno-Economics and Life Cycle Assessment

This project developed an integrated modeling framework to evaluate how purpose-grown bioenergy feedstocks could support large-scale sustainable aviation fuel production in the United States. Led by Colorado State University with project partners, the work combined geographically resolved analysis, techno-economic assessment, life cycle assessment, multi-objective optimization, and agent-based modeling to examine feedstock performance, deployment potential, land-use implications, and adoption dynamics. The overall goal was to identify practical and sustainable pathways for producing aviation fuel from feedstocks such as energy crops, woody crops, oilseeds, and algae while helping inform policy, investment, and research needs tied to national SAF goals. In essence, the project provides a systems-level assessment of the opportunities and constraints associated with scaling bioenergy-based aviation fuels in the U.S.

09 BIOMASS FUELS↗

Multi-Agent Control of Lane-Switching Automated Vehicles for Energy Efficiency

The proliferation of automatic control systems and their connectivity accents the performance of their interactions. In particular, connected and automated vehicles could become high-impact examples thanks to their energy use and productivity effects. Ideally, a controller might collectively optimize all agents' control moves for a given objective. However, limits on computational complexity, incomplete knowledge of the central planner, and risks of a single point of failure make distributed control attractive as well. This paper proposes a collaborative heuristic to approach the performance of centralized control with decentralized-like computational effort. The related centralized controller is also described in detail and evaluated as a baseline. A collaboration-intensive obstacle avoidance scenario involving electric vehicles is simulated to demonstrate benefits over fully decentralized control. While centralized optimization performed best with an 8.6 % energy reduction, the collaborative decentralized scheme reached a favorable computation-performance tradeoff with a 6.7 % energy reduction.

Dollar, R. Austin↗

Design, Selection, and Evaluation of Reinforcement Learning Single Agents for Ground Target Tracking

Previous approaches for small fixed-wing unmanned air systems that carry strapdown rather than gimbaled cameras achieved satisfactory ground target tracking performance using both standard and deep reinforcement learning algorithms. However, these approaches have significant restrictions and abstractions to the dynamics of the vehicle, such as constant airspeed and constant altitude, because the number of states and actions was necessarily limited. Thus, extensive tuning was required to obtain good tracking performance. The expansion from 4 state–action degrees of freedom to 15 enabled the agent to exploit previous reward functions that produced novel yet undesirable emergent behavior. This paper investigates the causes of and various potential solutions to undesirable emergent behavior in the ground target tracking problem. A combination of changes to the environment, reward structure, action space simplification, command rate, and controller implementation provides insight into obtaining stable tracking results. Consideration is given to reward structure selection and refinement to mitigate undesirable emergent behavior. Results presented in the paper for a simulated environment of a single unmanned air system tracking a randomly moving single ground target show that a soft actor–critic algorithm can produce feasible tracking trajectories without limiting the state space and action space, provided that the environment is properly posed.

Engineering↗