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At least 685 records · Page 38

Evaluating the Effectiveness of Retrieval-Augmented Large Language Models in Scientific Document Reasoning

Despite the dramatic progress in Large Language Model (LLM) development, LLMs often provide seemingly plausible but not factual information, often referred as hallucinations. Retrieval-augmented LLMs provide a non-parametric approach to solve these issues by retrieving relevant information from external data sources and augment the training process. These models helps to trace evidence from an externally provided knowledge base allowing the model predictions to be better interpreted and verified. In this work, we critically evaluate these models in their ability to perform in scientific document reasoning tasks. To this end, we tuned multiple such model variants with science-focused instructions and evaluated them on a scientific document reasoning benchmark for the usefulness of the retrieved document passages. Our findings suggest that models justify predictions in science tasks with fabricated evidence and leveraging scientific corpus as pretraining data does not alleviate the risk of evidence fabrication.

• Artificial intelligence (AI) / machine learning ↗

Optimizing Classifiers for Radionuclide Identification

Identifying threat nuclear materials is a critical for the prevention of acts of nuclear terrorism on the homeland. For this purpose, many radionuclide identification devices are deployed in the field. However, these will not necessarily be in the hands of non-experts, therefore these devices need to provide ready-made answers for the personnel in the field. This is where advanced algorithms are employed to both interpret the data and provide the identification of the nuclear material being interrogated. We took a machine learning approach to identification, by using training and validation data sets to create and optimize classifiers which determine which radionuclide is consistent with the data. The classifiers investigated were the Random Forest, Decision Tree, Support Vector Machine, and XG Boost and their performance was judged using the F1 Score for both hyperparameter tuning and comparison. In the end, we found out that the Random Forest Classifier worked the best based off the F1 Score they got which was 0.98.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Robust Decentralized Secondary Control Scheme for Inverter-based Power Networks

Inverter-dominated microgrids are quickly becoming a key building block of future power systems. They rely on centralized controllers that can provide reliability and resiliency in extreme events. Nonetheless, communication failures due to cyber-physical attacks or natural disasters can make autonomous operation of islanded microgrids challenging. This paper examines a unified decentralized secondary control scheme that is robust to inverter clock synchronization errors and can be seamlessly applied to grid-following or grid-forming control architectures. The proposed scheme overcomes the well-known stability problem that arises from parallel operation of local integral controllers. Theoretical guarantees for stability are provided along with criteria to appropriately tune the secondary control gains to achieve good frequency regulation performance while ensuring fair power sharing. The efficacy of our approach is demonstrated through simulations on a 5-bus microgrid with four grid-forming inverters.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Defects go green: using defects in nanomaterials for renewable energy and environmental sustainability

Induction of point defects in nanomaterials can bestow upon them entirely new physics or augment their pre-existing physical properties, thereby expanding their potential use in green energy technology. Predicting structure-property relationships for defects a priori is challenging, and developing methods for precise control of defect type, density, or structural distribution during synthesis is an even more formidable task. Hence, tuning the defect structure to tailor nanomaterials for enhanced device performance remains an underutilized tool in materials design. We review here the state of nanomaterial design through the lens of computational prediction of defect properties for green energy technology, and synthesis methods to control defect formation for optimal performance. We illustrate the efficacy of defect-focused approaches for refining nanomaterial physics by describing several specific applications where these techniques hold potential. Most notably, we focus on quantum dots for reabsorption-free solar windows and net-zero emission buildings, oxide cathodes for high energy density lithium-ion batteries and electric vehicles, and transition metal dichalcogenides for electrocatalytic green hydrogen production and carbon-free fuels.

14 SOLAR ENERGY↗

Recent advances in multidisciplinary optimization of rotorcraft

A joint activity involving NASA and Army researchers at NASA LaRC to develop optimization procedures to improve the rotor blade design process by integrating appropriate disciplines and accounting for all of the important interactions among the disciplines is described. The disciplines involved include rotor aerodynamics, rotor dynamics, rotor structures, airframe dynamics, and acoustics. The work is focused on combining these five key disciplines in an optimization procedure capable of designing a rotor system to satisfy multidisciplinary design requirements. Fundamental to the plan is a three-phased approach. In phase 1, the disciplines of blade dynamics, blade aerodynamics, and blade structure are closely coupled while acoustics and airframe dynamics are decoupled and are accounted for as effective constraints on the design for the first three disciplines. In phase 2, acoustics is integrated with the first three disciplines. Finally, in phase 3, airframe dynamics is integrated with the other four disciplines. Representative results from work performed to date are described. These include optimal placement of tuning masses for reduction of blade vibratory shear forces, integrated aerodynamic/dynamic optimization, and integrated aerodynamic/dynamic/structural optimization. Examples of validating procedures are described.

Adelman, Howard M.↗

Design issues for a reinforcement-based self-learning fuzzy controller

Fuzzy logic controllers have some often cited advantages over conventional techniques such as PID control: easy implementation, its accommodation to natural language, the ability to cover wider range of operating conditions and others. One major obstacle that hinders its broader application is the lack of a systematic way to develop and modify its rules and as result the creation and modification of fuzzy rules often depends on try-error or pure experimentation. One of the proposed approaches to address this issue is self-learning fuzzy logic controllers (SFLC) that use reinforcement learning techniques to learn the desirability of states and to adjust the consequent part of fuzzy control rules accordingly. Due to the different dynamics of the controlled processes, the performance of self-learning fuzzy controller is highly contingent on the design. The design issue has not received sufficient attention. The issues related to the design of a SFLC for the application to chemical process are discussed and its performance is compared with that of PID and self-tuning fuzzy logic controller.

Yen, John↗

Recent advances in integrated multidisciplinary optimization of rotorcraft

A joint activity involving NASA and Army researchers at NASA LaRC to develop optimization procedures to improve the rotor blade design process by integrating appropriate disciplines and accounting for all of the important interactions among the disciplines is described. The disciplines involved include rotor aerodynamics, rotor dynamics, rotor structures, airframe dynamics, and acoustics. The work is focused on combining these five key disciplines in an optimization procedure capable of designing a rotor system to satisfy multidisciplinary design requirements. Fundamental to the plan is a three-phased approach. In phase 1, the disciplines of blade dynamics, blade aerodynamics, and blade structure are closely coupled while acoustics and airframe dynamics are decoupled and are accounted for as effective constraints on the design for the first three disciplines. In phase 2, acoustics is integrated with the first three disciplines. Finally, in phase 3, airframe dynamics is integrated with the other four disciplines. Representative results from work performed to date are described. These include optimal placement of tuning masses for reduction of blade vibratory shear forces, integrated aerodynamic/dynamic optimization, and integrated aerodynamic/dynamic/structural optimization. Examples of validating procedures are described.

Adelman, Howard M.↗

Development of an automated diode-laser-based multicomponent gas sensor

The implementation and application of a portable fiber-coupled trace-gas sensor for the detection of several trace gases, including CO2, CH4, and H2CO, are reported. This particular sensor is based on a cw fiber-amplified near-infrared (distributed Bragg reflector) diode laser and an external cavity diode laser that are frequency converted in a periodically poled lithium niobate crystal to the mid-IR spectroscopic fingerprint region (3.3-4.4 micrometers). A continuous absorption spectrum of CH4 and H2CO from 3.37 to 3.10 micrometers with a spectral resolution of 40 MHz (approximately 0.0013 cm-1) demonstrated the spectral performance that can be achieved by means of automated wavelength tuning and phase matching with stepper motor control. Autonomous long-term detection of ambient CO2 and CH4 over a 3- and 7-day period was also demonstrated.

NASA Discipline Environmental Health↗

Filtering and Control of High Speed Motor Current in a Flywheel Energy Storage System

The NASA Glenn Research Center has been developing technology to enable the use of high speed flywheel energy storage units in future spacecraft for the last several years. An integral part of the flywheel unit is the three phase motor/generator that is used to accelerate and decelerate the flywheel. The motor/generator voltage is supplied from a pulse width modulated (PWM) inverter operating from a fixed DC voltage supply. The motor current is regulated through a closed loop current control that commands the necessary voltage from the inverter to achieve the desired current. The current regulation loop is the innermost control loop of the overall flywheel system and, as a result, must be fast and accurate over the entire operating speed range (20,000 to 60,000 rpm) of the flywheel. The voltage applied to the motor is a high frequency PWM version of the DC bus voltage that results in the commanded fundamental value plus higher order harmonics. Most of the harmonic content is at the switching frequency and above. The higher order harmonics cause a rapid change in voltage to be applied to the motor that can result in large voltage stresses across the motor windings. In addition, the high frequency content in the motor causes sensor noise in the magnetic bearings that leads to disturbances for the bearing control. To alleviate these problems, a filter is used to present a more sinusoidal voltage to the motor/generator. However, the filter adds additional dynamics and phase lag to the motor system that can interfere with the performance of the current regulator. This paper will discuss the tuning methodology and results for the motor/generator current regulator and the impact of the filter on the control. Results at speeds up to 50,000 rpm are presented.

Kenny, Barbara H.↗

Clouds in GEOS-5

The GEOS-5 atmospheric model is being developed as a weather-and-climate capable model. It must perform well in assimilation mode as well as in weather and climate simulations and forecasts and in coupled chemistry-climate simulations. In developing GEOS-5, attention has focused on the representation of moist processes. The moist physics package uses a single phase prognostic condensate and a prognostic cloud fraction. Two separate cloud types are distinguished by their source: "anvil" cloud originates in detraining convection, and large-scale cloud originates in a PDF-based condensation calculation. Ice and liquid phases for each cloud type are considered. Once created, condensate and fraction from the anvil and statistical cloud types experience the same loss processes: evaporation of condensate and fraction, auto-conversion of liquid or mixed phase condensate, sedimentation of frozen condensate, and accretion of condensate by falling precipitation. The convective parameterization scheme is the Relaxed Arakawa-Schubert, or RAS, scheme. Satellite data are used to evaluate the performance of the moist physics packages and help in their tuning. In addition, analysis of and comparisons to cloud-resolving models such as the Goddard Cumulus Ensemble model are used to help improve the PDFs used in the moist physics. The presentation will show some of our evaluations including precipitation diagnostics.

Bacmeister, Julio↗

Parameters Impacting Columnated Granular Soil Pneumatic Seal Performance

The ability of a column of loose granular soil to form a pneumatic seal was investigated by varying the diameter of the soil column, the effective column height, and the level of compaction in the soil. The soil column diameter was tested at three levels using pipes with inner diameters measuring 5.08, 10.16, and 15.24 centimeters (2, 4, and 6 inches). Soil was filled in each pipe to form 15, 30, and 45 centimeter (6, 12, and 18 inch) tall soil columns. Each diameter/height configuration was also tested at three levels of soil compaction, compared by calculating the bulk density of the soil with mass and volume measurements. GRC-1a simulant was used, with approximate low/medium/high bulk densities of 1.6, 1.75, and 1.9 g/cc achieved with a combination of vibration and tamping. The order of tests for a given column diameter was randomized and repeated three times. With the top of the soil open to atmosphere at room temperature, compressed air was injected through a small diffuser at the column base with several small downward-facing holes. The number and size of these holes was scaled such that a constant total inlet orifice area to column cross sectional area ratio was maintained for each column diameter. Inlet air pressure was slowly increased via a precision regulator to preserve quasi-static equilibrium in the soil column to minimize the impact of dynamics. Air pressure was increased all the way through the static and bubbling regimes until slugging or turbulent behavior was observed in the soil to ensure that the entire static regime had been captured during data collection. A three-factor, three-level analysis of variance (ANOVA) statistical analysis was performed on the resulting data to determine the extent to which each physical parameter impacted the soil column seal performance. It was concluded that there is statistically significant evidence that column height, and the interaction between column height and diameter impact soil seal performance. In all other cases there was insufficient data to identify a statistically significant causal relationship. Additionally, plots were generated comparing experimental data to the predictive formula developed by Ogino et al. for fluidized beds in 1993. Because this model was developed for industrial spouted fluidized beds, the accuracy of its output prior to fluidization in the static seal ‘edge case’ is unknown, especially considering in this application the working gas was diffused across the column base rather than being injected through a spout. Further, the fidelity of the model had not yet been tested with lunar soil simulants. Plotting the Ogino et al. model alongside test data allows for a more intuitive sense of the impact of test parameters on soil seal performance, as well as providing a quick means to further tune this predictive model for more accurate use with static seals across granular lunar soil simulants. The model provided by Ogino et al. was further tuned using test data to determine the degree to which a spouted bed model could be applied to a slightly modified set of testing conditions: lunar soil simulants and a more diffuse, homogeneous application of pneumatic pressure. A Matlab script was created to test different values for the leading coefficient and exponents in Ogino’s formula. The script swept preset ranges, then iterated with higher resolutions across narrower ranges to converge on the optimal value for each parameter. The resulting adjusted model was compared to the original, as well as test data with noticeable improvements across the entire test domain.

Jack Stewart↗

A Miniature Multilevel Structures for Lossless Ion Manipulations Ion Mobility Spectrometer with Wide Mobility Range Separation Capabilities

Here, ion mobility spectrometry employing structures for lossless ion manipulations (SLIM-IMS) is an attractive gas-phase separation technique due to its ability to achieve unprecedented effective ion path lengths (>1 km) and IMS resolving powers in a small footprint. The emergence of multilevel SLIM technology, where ions are transferred between vertically stacked SLIM electrode surfaces, has subsequently allowed for ultralong single pass path lengths (>40 m) to be achieved, enabling ultrahigh resolution IMS measurements to be performed over the entire mobility range in a single experiment. The implementation of multiple SLIM levels requires very little additional space for the SLIM system, and we developed a miniature SLIM module (miniSLIM) based on multilevel SLIM technology and report the performance here. The module is 11.1 cm x 6.7 cm x 1.4 cm (L x W x H) and consists of three SLIM levels totaling 1-meter path length. Ion trajectory simulations were used to optimize the SLIM board spacings and SLIM board thicknesses of the miniSLIM IMS system. Methods of efficiently transferring ions between SLIM levels were examined and a new approach using asymmetric traveling waves (TWs) was developed and implemented in the miniSLIM. We experimentally characterized the performance of the --meter multilevel miniSLIM IMS-MS relative to a drift tube IM--MS using an Agilent tuning mixture and tetraalkylammonium cations. The 1-meter miniSLIM achieved a resolving power of up to 131 (CCS/ΔCCS), ~1.5x higher than achievable with a 78 cm path length drift tube IMS, and successfully transmitted the entire ion mobility range in a single separation. We also demonstrated the miniSLIM’s performance as a standalone IMS system (i.e., without MS), showing baseline separation between Agilent tuning mixture cations with the full mobility range observed, and a standard peptide mixture with different charge states readily differentiated. Overall the miniSLIM provides a compact alternative to high performance IMS instruments possessing similar path lengths.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Replicated Computational Results (RCR) Report for "Adaptive Precision Block-Jacobi for High Performance Preconditioning in the Ginkgo Linear Algebra Software''

In, a practical implementation of a novel adaptive precision block-Jacobi preconditioner is introduced. In particular, the authors present a heavily-tuned GPU implementation of the adaptive precision block-Jacobi preconditioner within the Ginkgo numerical linear algebra library. The performance of the methodology and implementation is demonstrated using the proposed preconditioning scheme within Ginkgo’s high-performance Conjugate Gradient (CG) implementation on an NVIDIA Volta GPU. In this report, we replicate a subset of the computational results presented in. The focus is generating results from Fig. 9 to evaluate the performance of using Ginkgo’s CG solver integrated with either the full or the adaptive precision block-Jacobi preconditioner applied to a variety of test cases

97 MATHEMATICS AND COMPUTING↗

In-house synthesized poly(ether ether ketone) ionenes. I. ToF-SIMS spectra in the positive ion mode

Static time-of-flight secondary ion mass spectrometry (ToF-SIMS) was performed for acquiring the high-resolution surface spectra of four types of synthesized imidazolium ionene membranes. These novel membranes have aromatic ether–ketone–ether linkages inspired by poly(ether ether ketone) (PEEK). The PEEK-ionenes synthesized for this study have imidazolium cations placed in the polymeric backbone with bistriflimide [Tf 2 N]- counterions. The attention given to synthetically modified PEEK derivatives, such as PEEK-ionenes, is considerable due to their ability to selectively capture CO 2 molecules and other light gases. Therefore, it is important to characterize the surface of these synthesized novel PEEK-ionenes. In this work, characteristic and unique peaks were identified in the positive spectra of each sample. The differences in mass spectra among the samples provide insights for optimizing or fine-tuning the PEEK-ionenes synthesis to achieve a high-performance CO 2 separation membrane with enhanced permeability, selectivity, and mechanical stability. The SIMS spectra and identified characteristic peaks of these synthesized ionenes will serve as a reference in the positive mode, complementing the corresponding spectra reported in the negative ion mode (Paper II).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Development of Nanocomposite Coatings for Future Large-Scale Time Projection Chambers

In the context of this award we tested the performance of thin high-resistivity coatings for their potential usage as field shaping systems in future large scale xenon Time Projection Chambers (TPC). A successful implementation of such thin coatings would likely simplify the design of potential future detectors, allowing to overcome some of the challenges observed with traditional systems constituted by massive discrete electrodes. We studied a wide range of materials and characterized their optical and electrical performances as functions of temperature and wavelength. The measurement campaign indicated that uniform coatings covering the full PTFE substrate (usually used as reflector in LXe TPCs) impact too severely on the light collection performance of such detectors when used with deep UV light. Despite tuning the composition and thicknesses of nanocomposite coatings, we were not able to identify a single coating, properly working at LXe temperature, that would simultaneously fulfill the resistance and optical requirements. Following the risk mitigation strategy identified in the proposal we moved the focus of the R&D to identify proper materials that, when coated with grid-like patterns on PTFE, would not alter meaningfully its optical properties (with respect to bare PTFE panels) but would still serve as effective field shaping systems, properly containing the drift field in TPC detectors. Among the various materials we identified germanium as the most promising one, providing a good adhesion to PTFE and the proper range of sheet resistivity. The Ge-patterned coating tested within a small scale LXe TPC showed good performance as a field shape system and, as desired, did not reduce the detector light yield. These results are encouraging and such technology should further be investigated as a potential alternative to more traditional field shaping electrodes. Incidentally, in the context of this R&D, we stumbled upon an unexpected behavior suggesting that some of the treatments performed on the PTFE panels, in preparation of the coatings, meaningfully boosted the PTFE reflectivity. The most probable candidate is the O2 plasma cleaning procedure. This hypothesis will be tested in the near future by operating the small scale TPC at UChicago first with regular PTFE panels and then with panels bombarded with O2 plasma (but no coatings). This finding, if confirmed, might open up the possibility of further boosting UV light collection in future large detectors by performing such a treatment on the PTFE surfaces.

36 MATERIALS SCIENCE↗

Enhancing generative molecular design via uncertainty-guided fine-tuning of variational autoencoders

In recent years, deep generative models have been successfully applied to various molecular design tasks, particularly in the life and materials sciences. One critical challenge for pre-trained generative molecular design (GMD) models is to fine-tune them to be better suited for downstream design tasks that aim at optimizing specific molecular properties. However, redesigning and training an existing effective generative model from scratch for each new design task are impractical. Furthermore, the black-box nature of typical downstream tasks that involve property prediction makes it nontrivial to optimize the generative model in a task-specific manner. In this work, we propose an uncertainty-guided fine-tuning strategy that can effectively enhance a pre-trained variational autoencoder (VAE) for GMD through performance feedback in an active learning setting. The strategy begins by quantifying the model uncertainty of the generative model using an efficient active subspace-based UQ (uncertainty quantification) scheme. Next, the decoder diversity within the characterized model uncertainty class is explored to expand the viable space of molecular generation. The low-dimensionality of the active subspace makes this exploration tractable using a black-box optimization scheme, which in turn enables us to identify and leverage a diverse set of high-performing models to generate enhanced molecules. Empirical results across six target molecular properties using multiple VAE-based generative models demonstrate that our uncertainty-guided fine-tuning strategy consistently leads to improved models that outperform the original pre-trained models.

97 MATHEMATICS AND COMPUTING↗

Design and performance comparison of fuzzy logic based tracking controllers

Several camera tracking controllers based on fuzzy logic principles have been designed and tested in software simulation in the software technology branch at the Johnson Space Center. The fuzzy logic based controllers utilize range measurement and pixel positions from the image as input parameters and provide pan and tilt gimble rate commands as output. Two designs of the rulebase and tuning process applied to the membership functions are discussed in light of optimizing performance. Seven test cases have been designed to test the performance of the controllers for proximity operations where approaches like v-bar, fly-around and station keeping are performed. The controllers are compared in terms of responsiveness, and ability to maintain the object in the field-of-view of the camera. Advantages of the fuzzy logic approach with respect to the conventional approach have been discussed in terms of simplicity and robustness.

Lea, Robert N.↗