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At least 667 records · Page 37

Leveraging Large Language Models for Real-World Data Evidence: A Framework for Automated Treatment Extraction and Data Harmonization

Background: The ability to comprehensively collect treatment information from cancer patient medical records would enable studies to evaluate real-world benefits and risks tied to specific treatments. Currently, it is difficult to system- atically collect high-quality treatment information because it is often stored in unstructured text. Manually extracting and standardizing drug and regimen data is time-intensive. Recent advances in large language models (LLMs) offer a potential solution for automated extraction of structured treatment information from clinical text. Objective: This study systematically evaluates the utility of four LLMs from the Llama family for automated extraction of oncology treatment information from clinical text. This information can guide researchers using cancer registry data to provide insights into cancer care and outcomes beyond clinical trials. Methods: Four instruction-tuned Llama models with varying parameter counts (1B, 3B, 8B, and 70B) were evaluated for their ability to extract treatment information from clinical documents. A unified oncology knowledge base integrating seven major public data sources was developed to standardize and normalize extracted entities—a critical step for harmonizing data from diverse sources. Extracted treatment data were compared against expert-annotated ground truth. Model performance was assessed using accuracy metrics (Precision, Recall, F1-Score) and opera- tional feasibility metrics, including processing speed and structural compliance of the output. Results: A strong positive correlation was observed between model size and extraction accuracy. F1-score improved from 0.609 for the 1B model to 0.710 (3B), 0.807 (8B), and 0.828 (70B). While larger models demonstrated superior accuracy and compliance, they incurred higher computational costs. The modest performance difference between 8B and 70B suggests diminishing returns with increasing model size. Conclusions: LLMs represent a viable technology for automating oncology treatment extraction. The 8B-parameter model emerged as a highly effective option, balancing high accuracy and computational efficiency. Selecting an appropriate LLM for deployment in cancer registries involves a trade-off between desired accuracy and available operational resources. Harmonizing extracted entities with the oncology knowledge base facilitates standardized integration into common data models, enhancing data quality for real-world evidence analyses.

artificial intelligence↗

Use of Shared Automated Vehicles for First-Mile Last-Mile Service: Micro-Simulation of Rail-Transit Connections in Austin, Texas

Shared fleets of fully automated vehicles (SAVs) coupled with real-time ride-sharing to and from transit stations are of interest to cities and nations in delivering more sustainable transportation systems. By providing first-mile last-mile (FMLM) connections to key transit stations, SAVs can replace walk-to-transit, drive-to-transit, and drive-only trips. Using the SUMO (Simulation of Urban MObility) toolkit, this paper examines mode splits, wait times, and other system features by micro-simulating two fleets of SAVs providing an FMLM ride-sharing service to 10% of central Austin’s trip-makers near five light-rail transit stations. These trips either start or end within two geofenced areas (called automated mobility districts [AMDs]), and travel time and wait time feedbacks affect mode choices. With rail service headways of 15?min, and 15 SAVs serving FMLM connections to and from each AMD, simulations predict that 3.7% of the person-trip-making will shift from driving alone to transit use in a 3?mi?×?6?mi central Austin area. During a 3-h morning peak, 30 SAVs serve about 10 person-trips each (to or from the stations), with 3.4?min average wait time for SAVs, and an average vehicle occupancy of 0.74 persons (per SAV mile-traveled), as a result of empty SAV driving between riders. Sensitivity analysis of transit headways (from 5 to 20?min) and fleet sizes (from 5 to 20 vehicles in each AMD) shows an increase in FMLM mode share with more frequent transit service and larger fleet size, but total travel time served as the biggest determinant in trip-makers’ mode share.

47 OTHER INSTRUMENTATION↗

SCDU Testbed Automated In-Situ Alignment, Data Acquisition and Analysis

In the course of fulfilling its mandate, the Spectral Calibration Development Unit (SCDU) testbed for SIM-Lite produces copious amounts of raw data. To effectively spend time attempting to understand the science driving the data, the team devised computerized automations to limit the time spent bringing the testbed to a healthy state and commanding it, and instead focus on analyzing the processed results. We developed a multi-layered scripting language that emphasized the scientific experiments we conducted, which drastically shortened our experiment scripts, improved their readability, and all-but-eliminated testbed operator errors. In addition to scientific experiment functions, we also developed a set of automated alignments that bring the testbed up to a well-aligned state with little more than the push of a button. These scripts were written in the scripting language, and in Matlab via an interface library, allowing all members of the team to augment the existing scripting language with complex analysis scripts. To keep track of these results, we created an easily-parseable state log in which we logged both the state of the testbed and relevant metadata. Finally, we designed a distributed processing system that allowed us to farm lengthy analyses to a collection of client computers which reported their results in a central log. Since these logs were parseable, we wrote query scripts that gave us an effortless way to compare results collected under different conditions. This paper serves as a case-study, detailing the motivating requirements for the decisions we made and explaining the implementation process.

Automation↗

Command and Control System Automated Testing

The Kennedy Space Center (KSC) has developed its own Command and Control System for the launch of the Space Launch System (SLS) and Orion capsule. The Command and Control System (CCS) is used by console engineers for the launch and system checkout of aerospace vehicles. The CCS allows console engineers to read data from the flight hardware on the launch pad and from the ground control systems and allows console engineers to issue commands, like opening a valve, to the flight hardware and ground control systems. The CCS needs to interact with thousands of devices and hardware controllers for the spacecraft and ground systems, receive data from these devices, distribute the data to console engineers in real-time, and allow console engineers to issue commands to manipulate hardware on the launch pad. The system needs to be robust, fault tolerant, responsive, and fast. In order to keep up with the pace of development of the CCS, a Test Automation System (TAS) is needed to validate the integrity of the system as a whole along with its individual components. Automated tests allow for faster development time, since tests can be ran through a Continuous Integration system and allow developers to check their code faster. Currently, the different modules, classes, and functions that make up the CCS are tested at the unit level, and the system level, with all the modules working together. My project was to implement a system for the data protocol layer of the Command Control System to be tested as a complete functional unit, with all of its classes and functions working together, but independent of the other modules of the CCS.

Automated TestingTest Automation↗

NAS Automation Enabled Pilot (AEP): AEP-1 Study

This presentation describes work perform under the Advanced Air Mobility project - Automated Flight and Contingency Management subproject on developing industry representative powered lift aircraft and aircraft automation capabilities for the purpose of developing evaluation methods and Means of Compliance.

powered-lift aircraft↗

Automated Mobility Platforms: A Framework for Versatile, Energy-Efficient Urban Transportation for the 21st Century: Preprint

This paper presents automated mobility platforms (AMPs) as a framework to deliver high-quality urban mobility. AMPs leverage advances in sensing technology developed from automated roadway vehicles to provide opportunities for efficient movement of people and goods in dense urban environments, campuses, and large facilities like airports. In this paper, we layout the concept of AMPs and how they can serve the mobility needs of the population by providing service at the intersection of micromobility (services such as electric scooters or bikes), personal rapid transit, and moving walkways. Several key attributes and justification for the AMPs concept are described, including improvements to accessibility (inherent in design) covering both socioeconomic and disability equity, safety, energy efficiency, cost-effectiveness, urban land and space management, and scalability. We summarize the results from an ongoing national laboratory-sponsored, faculty-supported, student-led investigation into AMPs that includes stakeholder engagement and technical feasibility assessment.

ADVANCED PROPULSION SYSTEMS↗

A Multi-Dimensional Benefit Assessment of Automated Mobility Platforms (AMP) for Large Facilities

Automated Mobility Platform (AMP) is a general term for intelligently managed passenger mobility systems that leverage automation and electrification to improve system performance and sustainability through the integration of real-time data streams with advanced decision-making processes tailored for use in large facilities. Using airports as an example, the rapid growth in air travel demand has led to facility expansions and congested terminals, which directly impacts equity (e.g., increased challenges for passengers with reduced mobility [PRMs]) and sustainability - both of which are important metrics often neglected during the engineering design process. Therefore, to evaluate systems and inform critical decisions more effectively, a holistic evaluation framework is proposed that includes equity, sustainability, and infrastructure perspectives - referred to as a multidimensional benefit assessment. More specifically, the following analysis focuses on: (1) mobility, with emphasis on travel time and accessibility within an airport, contrasting existing systems with the proposed AMP system; (2) equity analysis, specifically to the PRM community, but with an eye to the whole of society; (3) energy consumption and greenhouse gas (GHG) emissions associated with intra-airport mobility, comparing and contrasting modes as well as impacts on overall airport operations efficiency; and (4) fundamental changes in building design enabled by AMPs for larger and more flexible, functional, and energy-efficient structures.

ADVANCED PROPULSION SYSTEMS↗

Automated Image Segmentation and Processing Pipeline Applied to X–Ray Computed Tomography Studies of Pitting Corrosion in Aluminum Wires

Understanding pitting corrosion is critical, yet its kinetics and morphology remain challenging to study from X-ray computed tomography (XCT) due to manual segmentation barriers. To address this, an automated pipeline leveraging deep learning for efficient large-scale XCT analysis is developed, revealing new corrosion insights. The pipeline enables pit segmentation, 3D reconstruction, statistical characterization, and a topological transformation for visualization. Here, the pipeline is applied to 87 648 XCT images capturing commercial purity aluminum (1100 Al) wire exposed to sodium chloride (NaCl) salt particles over a period of 122 h. The pipeline achieves complete feature extraction and statistical quantification across the entire XCT dataset, leveraging distributed computing environment for high efficiency. Global growth kinetics such as high-level stepwise sigmoidal volume loss patterns and granular individual pit developments are both captured for 36 detected pits. By combining automation, computer vision, and extensive XCT datasets, this research accelerates precise corrosion assessment to enable materials science discoveries at scale.

36 MATERIALS SCIENCE↗

Automated Bacterial Identification and Morphological Feature Analysis in Low‐Dose Cryo‐EM Using YOLOv11

Bacteria rapidly adapt to environmental cues through morphological and ultrastructural changes that correlate with physiology and behavior. Cryogenic transmission electron microscopy (cryo‐TEM) can capture these phenotypic changes in near‐native, vitrified states, but manual analysis of low‐dose micrographs is labor intensive and limits throughput. Here, we present an end‐to‐end workflow that combines low‐dose cryo‐TEM imaging with a YOLOv11‐based instance‐segmentation model to automatically identify bacteria and quantify key structural features directly from the micrographs. This workflow enables (i) robust bacterial localization and counting from low‐magnification atlas/montage images, (ii) automated measurements of cell‐envelope (outer–inner membrane) thickness and anisotropy from higher‐magnification views, and (iii) detection and quantification of bacteria–flagella interactions, including overlap length and curvature metrics for interacting versus noninteracting flagella. Using Pantoea sp. YR343 grown under distinct media conditions, we show that the automated measurements agree with manual annotations while substantially reducing analysis time. Together, these tools provide a practical framework for scalable bacterial identification and quantitative phenotyping in low‐dose cryo‐TEM datasets and establish a foundation for extending cryo‐TEM image analysis toward higher‐throughput studies of microbial heterogeneity and biointerfaces.

YOLOv11↗

Automated Generation of Microkinetics for Heterogeneously Catalyzed Reactions Considering Correlated Uncertainties**

Abstract The study presents an ab‐initio based framework for the automated construction of microkinetic mechanisms considering correlated uncertainties in all energetic parameters and estimation routines. 2000 unique microkinetic models were generated within the uncertainty space of the BEEF‐vdW functional for the oxidation reactions of representative exhaust gas emissions from stoichiometric combustion engines over Pt(111) and compared to experiments through multiscale modeling. The ensemble of simulations stresses the importance of considering uncertainties. Within this set of first‐principles‐based models, it is possible to identify a microkinetic mechanism that agrees with experimental data. This mechanism can be traced back to a single exchange‐correlation functional, and it suggests that Pt(111) could be the active site for the oxidation of light hydrocarbons. The study provides a universal framework for the automated construction of reaction mechanisms with correlated uncertainty quantification, enabling a DFT‐constrained microkinetic model optimization for other heterogeneously catalyzed systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Automated Laboratory Kilogram-Scale Graphene Production from Coal

The flash Joule heating (FJH) method converts many carbon feedstocks into graphene in milliseconds to seconds using an electrical pulse. This opens an opportunity for processing low or negative value resources, such as coal and plastic waste, into high value graphene. Here, in this work, a lab-scale automation FJH system that allows the synthesis of 1.1 kg of turbostratic flash graphene from coal-based metallurgical coke (MC) in 1.5 h is demonstrated. The process is based on the automated conversion of 5.7 g of MC per batch using an electrical pulse width modulation system to conduct the bottom-up upcycle of MC into flash graphene. This study then compare this method to two other scalable graphene synthesis techniques by both a life cycle assessment and a technoeconomic assessment.

01 COAL, LIGNITE, AND PEAT↗

Toolpath generation for automated wind turbine blade finishing operations

Incorporating automation into wind turbine blade manufacturing is important for reducing costs to meet current offshore wind energy production goals in the United States. This work proposes a process for automating three operations in wind blade manufacturing: trimming to remove flashing left over after bonding two blade skins together, grinding to produce a desired leading-edge shape, and sanding to prepare the blade for bonding overlamination or adding paint to the surface. The majority of this work focuses on the toolpath generation. The algorithms were tested on a 5-m blade section, and the results were analyzed in terms of operation speed and accuracy. Finally, future work is discussed to improve the performance of the system.

17 WIND ENERGY↗

Impact of cyberattacks on safety and stability of connected and automated vehicle platoons under lane changes

Connected and automated vehicles (CAVs) offer a huge potential to improve the operations and safety of transportation systems. However, the use of smart devices and communications in CAVs introduce new risks. CAVs would leverage vehicle to vehicle (V2V) and vehicle to infrastructure (V2I) communication, thus providing additional system access points compared to traditional systems. Automation makes these systems more vulnerable and increases the consequences of cyberattacks. This study utilizes an infrastructure-based communication platform consisting of cooperative adaptive cruise control and lane control advisories developed by the authors to perform cyber risk assessment of CAVs. The study emulates three types of cyberattacks (message falsification, dedicated denial of service, and spoofing attacks) in a representative traffic environment consisting of multiple CAV platoons and lane change events to analyze the safety and stability impacts of the cyberattacks. Simulation experiments using VISSIM reveals that traffic stream and CAV string is unstable under all three types of cyberattacks. The worst case is represented by the message falsification attack. Increases in volatility are observed over a no attack case, with variations increasing by an average of 43%–51% along with an increase of over 3000 crash conflicts. Similarly, lane change crash conflicts are observed to be more severe compared to rear end crash conflicts, showing a higher probability of severe injuries. Further, the case of slight cyberattack on a single CAV also creates significant disruption in the traffic stream. Analysis of variance (ANOVA) reveals the statistical significance of the results. Furthermore, these results pave the way for future design of secure systems from a monitoring perspective.

97 MATHEMATICS AND COMPUTING↗

In vitro continuous protein evolution empowered by machine learning and automation

Directed evolution has become one of the most successful and powerful tools for protein engineering. However, the efforts required for designing, constructing, and screening a large library of variants can be laborious, time-consuming, and costly. With the recent advent of machine learning (ML) in the directed evolution of proteins, researchers can now evaluate variants in silico and guide a more efficient directed evolution campaign. Furthermore, recent advancements in laboratory automation have enabled the rapid execution of long, complex experiments for high-throughput data acquisition in both industrial and academic settings, thus providing the means to collect a large quantity of data required to develop ML models for protein engineering. In this perspective, here we propose a closed-loop in vitro continuous protein evolution framework that leverages the best of both worlds, ML and automation, and provide a brief overview of the recent developments in the field.

59 BASIC BIOLOGICAL SCIENCES↗

An automated cluster surface scanning method for exploring reaction paths on metal-cluster surfaces

Metal-cluster surfaces present a wide variety of unique coordination environments. This complexity makes it difficult to manually probe the surface reactivity of such clusters. Here, we present a simple and automated method to systematically discover reaction pathways on cluster surfaces, based on the automated cluster surface scanning (ACSS) technique for mapping out potential energy surfaces. We showcase our method on 55-atom icosahedral Cu and Ag clusters, where we determine the activation energies of four elementary steps common in heterogeneous catalysis – hydrogen recombination (H* + H* → H 2 * + *), oxygen recombination (O* + O* → O 2 * + *), water formation (OH* + H* → H 2 O* + *), and CO oxidation (CO* + O* → CO 2 * + *) – with density functional theory calculations (DFT-PBE + D3). We show that the ACSS method requires significantly less human effort than the established manually performed climbing-image nudged elastic band (MP + CI-NEB) technique and locates transition states with comparable accuracy (root-mean-squared error of 0.10 eV) and similar computational cost. Rigorous sampling of the potential energy surface with the ACSS method allows one to locate all lowest-energy reaction pathways obtained via the MP+CI-NEB approach, as well as alternative pathways that one may have missed with the MP+CI-NEB approach due to the many possible pathways available on these clusters. The accuracy and efficiency afforded by the ACSS method could enable high-throughput exploration of the diverse reactivity of metal clusters.

36 MATERIALS SCIENCE↗

Automated fault detection of residential air-conditioning systems using thermostat drive cycles

Residential air conditioning equipment comprises a significant portion of the total energy consumption of a home. Unfortunately, air-conditioning systems can be susceptible to faulty operation either from installation errors or faults that accrue over the equipment’s lifetime. This paper presents a novel automated fault detection algorithm for residential air-conditioning systems that can alert the homeowner of the presence of these faults. The proposed algorithm utilizes only the home’s thermostat and outside air temperature to perform automated fault detection over the course of the equipment’s lifetime, including immediately after installation. The algorithm uses an extended Kalman filter approach to identify a three-resistor, two-capacitor (3R2C) electrical equivalent thermodynamic model. The identified 3R2C model is used to predict cooling times during a testing period comprising of a series of thermostat drive-cycle experiments. We tested the algorithm on an EnergyPlus™ model of a typical residential building in Orlando, Florida. Duct faults, indoor airflow faults, and refrigerant undercharge faults were introduced into the building model one at a time. The algorithm was able to accurately determine duct-leak faults, 40% airflow faults, 40% undercharge faults, and no-fault cases with an accuracy of 70%, 77%, 82%, and 87%, respectively.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Automated Coupling of Nanodroplet Sample Preparation with Liquid Chromatography–Mass Spectrometry for High-Throughput Single-Cell Proteomics

Single-cell proteomics can provide critical biological insight into the cellular heterogeneity that is masked by bulk-scale analysis. Here, we have developed a nanoPOTS (nanodroplet processing in one pot for trace samples) platform and demonstrated its broad applicability for single-cell proteomics. However, because of nanoliter-scale sample volumes, the nanoPOTS platform is not compatible with automated LC-MS systems, which significantly limits sample throughput and robustness. To address this challenge, we have developed a nanoPOTS autosampler allowing fully automated sample injection from nanowells to LC-MS systems. We also developed a sample drying, extraction, and loading workflow to enable reproducible and reliable sample injection. The sequential analysis of 20 samples containing 10 ng tryptic peptides demonstrated high reproducibility with correlation coefficients of >0.995 between any two samples. The nanoPOTS autosampler can provide analysis throughput of 9.6, 16, and 24 single cells per day using 120, 60, and 30 min LC gradients, respectively. As a demonstration for single-cell proteomics, the autosampler was first applied to profiling protein expression in single MCF10A cells using a label-free approach. At a throughput of 24 single cells per day, an average of 256 proteins was identified from each cell and the number was increased to 731 when the Match Between Runs algorithm of MaxQuant was used. Using a multiplexed isobaric labeling approach (TMT-11plex), ~77 single cells could be analyzed per day. We analyzed 152 cells from three acute myeloid leukemia cell lines, resulting in a total of 2558 identified proteins with 1465 proteins quantifiable (70% valid values) across the 152 cells. These data showed quantitative single-cell proteomics can cluster cells to distinct groups and reveal functionally distinct differences.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗