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At least 523 records · Page 29

Prediction of protein assemblies, the next frontier: The CASP14-CAPRI experiment

Here we present the results for CAPRI Round 50, the fourth joint CASP-CAPRI protein assembly prediction challenge. The Round comprised a total of twelve targets, including six dimers, three trimers, and three higher-order oligomers. Four of these were easy targets, for which good structural templates were available either for the full assembly, or for the main interfaces (of the higher-order oligomers). Eight were difficult targets for which only distantly related templates were found for the individual subunits. Twenty-five CAPRI groups including eight automatic servers submitted ~1250 models per target. Twenty groups including six servers participated in the CAPRI scoring challenge submitted ~190 models per target. The accuracy of the predicted models was evaluated using the classical CAPRI criteria. The prediction performance was measured by a weighted scoring scheme that takes into account the number of models of acceptable quality or higher submitted by each group as part of their five top-ranking models. Compared to the previous CASP-CAPRI challenge, top performing groups submitted such models for a larger fraction (70–75%) of the targets in this Round, but fewer of these models were of high accuracy. Scorer groups achieved stronger performance with more groups submitting correct models for 70–80% of the targets or achieving high accuracy predictions. Servers performed less well in general, except for the MDOCKPP and LZERD servers, who performed on par with human groups. In addition to these results, major advances in methodology are discussed, providing an informative overview of where the prediction of protein assemblies currently stands.

protein complexes↗

BatteryPro: A Python Toolkit for Battery Data Analysis and Machine Learning Predictions

Analyzing battery test data for research & development can be time-consuming since battery tests often run on the order of months to years, generating large volumes of data. BatteryPro is a comprehensive Python package and software designed to facilitate advanced analysis and performance predictions for battery test data. Developed for battery researchers, it supports data types from widely used battery testing instruments, including MACCOR and Biologic cycling systems. The software provides a variety of tools for extracting and plotting key battery parameters such as time, voltage, capacity, current, and pressure. In addition to its extensive data analysis capabilities, BatteryPro features a dedicated machine learning module that employs a Bayesian Gaussian Mixture Model (GMM) to predict battery performance and degradation. Users can generate synthetic capacity fade data, calculate fade metrics, and leverage predictive models to forecast long-term battery behavior. The software's graphical user interface (GUI) enhances usability, allowing researchers to upload, merge, and analyze multiple data files with full customizability. The GUI also supports machine learning predictions, enabling users to fit models and make predictions based on selected data and parameters. BatteryPro is built using QtDesigner, scikit-learn, matplotlib, and pandas, ensuring a high level of customization, flexibility, and accuracy in battery data analysis. This tool aims to empower researchers with the ability to perform detailed battery analysis and make informed predictions, ultimately advancing the field of battery research.

25 - ENERGY STORAGE↗

An Alternative Ensemble Streamflow Prediction Approach Using Improved Subseasonal Precipitation Forecasts from the North America Multi-Model Ensemble Phase II

In this article, streamflow forecasting at a subseasonal time scale (10–30 days into the future) is important for various human activities. The ensemble streamflow prediction (ESP) is a widely applied technique for subseasonal streamflow forecasting. However, ESP’s reliance on the randomly resampled historical precipitation limits its predictive capability. Available dynamical subseasonal precipitation forecasts provide an alternative to the randomly resampled precipitation in ESP. Prior studies found the predictive performance of raw subseasonal precipitation forecast is limited in many regions such as the central south of the United States, which raises questions about its effectiveness in assisting streamflow forecasting. To further assess the hydrologic applicability of dynamical subseasonal precipitation forecasts, we test the subseasonal precipitation forecast from North America Multi-Model Ensemble Phase II (NMME-2) at four watersheds in the central south region of the United States. The subseasonal precipitation forecasts are postprocessed with bias correction and spatial disaggregation (BCSD) to correct bias and improve spatial resolution before replacing the randomly resampled precipitation in ESP for streamflow predictions. The performance of the resulting streamflow predictions is benchmarked with ESP. Evaluation is conducted using Kling–Gupta Efficiency (KGE), continuous ranked probability score (CRPS), probability of detection (POD), false alarm ratios (FARs), as well as reliability diagrams. Our results suggest that BCSD-corrected subseasonal precipitation forecasts lead to overall improved streamflow predictions due to added skills in winter and spring. Our results also suggest that BCSD-corrected subseasonal precipitation forecasts lead to improved predictions on the occurrence of high-percentile streamflow values above 75%. Overall, BCSD-corrected subseasonal precipitation has shown promising performance, highlighting its potential broader applications for river and flood forecasting.

54 ENVIRONMENTAL SCIENCES↗

Airplane takeoff and landing performance monitoring system

The invention is a real-time takeoff and landing performance monitoring system for an aircraft which provides a pilot with graphic and metric information to assist in decisions related to achieving rotation speed (V.sub.R) within the safe zone of a runway, or stopping the aircraft on the runway after landing or take-off abort. The system processes information in two segments: a pretakeoff segment and a real-time segment. One-time inputs of ambient conditions and airplane configuration information are used in the pretakeoff segment to generate scheduled performance data. The real-time segment uses the scheduled performance data, runway length data and transducer measured parameters to monitor the performance of the airplane throughout the takeoff roll. Airplane and engine performance deficiencies are detected and annunciated. A novel and important feature of this segment is that it updates the estimated runway rolling friction coefficient. Airplane performance predictions also reflect changes in head wind occurring as the takeoff roll progresses. The system provides a head-down display and a head-up display. The head-up display is projected onto a partially reflective transparent surface through which the pilot views the runway. By comparing the present performance of the airplane with a predicted nominal performance based upon given conditions, performance deficiencies are detected by the system.

Middleton, David B.↗

Simulations of inducers at Low-Flow Off-Design Conditions

The ability to accurately model details of inlet back flow for inducers operating at low-flow, off-design conditions is evaluated. A sub-scale version of a three- bladed liquid hydrogen inducer tested in water with detailed velocity and pressure measurements is used as a numerical test bed. Under low-flow, off-design conditions the length of the separation zone as well as the swirl velocity magnitude was under predicted with a standard k-E model. When the turbulent viscosity coefficient was reduced good comparison was obtained at all the flow conditions examined with both the magnitude and shape of the profile matching well with the experimental data taken half a diameter upstream of the leading edge. The velocity profiles and incidence angles at the leading edge itself were less sensitive to the back flow length predictions indicating that single-phase performance predictions may be well predicted even if the details of flow separation modeled are incorrect. However, for cavitating flow situations the prediction of the correct swirl in the back flow and the pressure depression in the core becomes critical since it leads to vapor formation. The simulations have been performed using the CRUNCH CFD@ code that has a generalized multi-element unstructured framework and an advanced multi-phase formulation for cryogenic fluids. The framework has been validated rigorously for predictions of temperature and pressure depression in cryogenic fluid cavities and has also been shown to predict the cavitation breakdown point for inducers at design conditions.

Hosangadi, Ashvin↗

Simulations of a Liquid Hydrogen Inducer at Low-Flow Off-Design Flow Conditions

The ability to accurately model details of inlet back flow for inducers operating a t low-flow, off-design conditions is evaluated. A sub-scale version of a three-bladed liquid hydrogen inducer tested in water with detailed velocity and pressure measurements is used as a numerical test bed. Under low-flow, off-design conditions the length of the separation zone as well as the swirl velocity magnitude was under predicted with a standard k-E model. When the turbulent viscosity coefficient was reduced good comparison was obtained a t all the flow conditions examined with both the magnitude and shape of the profile matching well with the experimental data taken half a diameter upstream of the leading edge. The velocity profiles and incidence angles a t the leading edge itself were less sensitive to the back flow length predictions indicating that single-phase performance predictions may be well predicted even if the details of flow separation modeled are incorrect. However, for cavitating flow situations the prediction of the correct swirl in the back flow and the pressure depression in the core becomes critical since it leads to vapor formation. The simulations have been performed using the CRUNCH CFD(Registered Trademark) code that has a generalized multi-element unstructured framework and a n advanced multi-phase formulation for cryogenic fluids. The framework has been validated rigorously for predictions of temperature and pressure depression in cryogenic fluid cavities and has also been shown to predict the cavitation breakdown point for inducers a t design conditions.

Hosangadi, A.↗

An Approximate Model for the Performance and Acoustic Predictions of Counterrotating Propeller Configurations

An approximate method was developed to analyze and predict the acoustics of a counterrotating propeller configuration. The method employs the analytical techniques of Lock and Theodorsen as described by Davidson to predict the steady performance of a counterrotating configuration. Then, a modification of the method of Lesieutre is used to predict the unsteady forces on the blades. Finally, the steady and unsteady loads are used in the numerical method of Succi to predict the unsteady acoustics of the propeller. The numerical results are compared with experimental acoustic measurements of a counterrotating propeller configuration by Gazzaniga operating under several combinations of advance ratio, blade pitch, and number of blades. In addition, a constant-speed commuter-class propeller configuration was designed with the Davidson method and the acoustics analyzed at three advance ratios. Noise levels and frequency spectra were calculated at a number of locations around the configuration. The directivity patterns of the harmonics in both the horizontal and vertical planes were examined, with the conclusion that the noise levels of the even harmonics are relatively independent of direction whereas the noise levels of the odd harmonics are extremely dependent on azimuthal direction in the horizontal plane. The equations of Succi are examined to explain this behavior.

Denner, Brett William↗

Airplane takeoff and landing performance monitoring system

The invention is a real-time takeoff and landing performance monitoring system for an aircraft which provides a pilot with graphic and metric information to assist in decisions related to achieving rotation speed (VR) within the safe zone of a runway, or stopping the aircraft on the runway after landing or take-off abort. The system processes information in two segments: a pretakeoff segment and a real-time segment. One-time inputs of ambient conditions and airplane configuration information are used in the pretakeoff segment to generate scheduled performance data. The real-time segment uses the scheduled performance data, runway length data and transducer measured parameters to monitor the performance of the airplane throughout the takeoff roll. Airplane acceleration and engine-performance anomalies are detected and annunciated. A novel and important feature of this segment is that it updates the estimated runway rolling friction coefficient. Airplane performance predictions also reflect changes in head wind occurring as the takeoff roll progresses. The system provides a head-down display and a head-up display. The head-up display is projected onto a partially reflective transparent surface through which the pilot views the runway. By comparing the present performance of the airplane with a continually predicted nominal performance based upon given conditions, performance deficiencies are detected by the system and conveyed to pilot in form of both elemental information and integrated information.

Middleton, David B.↗

Airplane takeoff and landing performance monitoring system

The invention is a real-time takeoff and landing performance monitoring system for an aircraft which provides a pilot with graphic and metric information to assist in decisions related to achieving rotation speed (V.sub.R) within the safe zone of a runway, or stopping the aircraft on the runway after landing or take-off abort. The system processes information in two segments: a pretakeoff segment and a real-time segment. One-time inputs of ambient conditions and airplane configuration information are used in the pretakeoff segment to generate scheduled performance data. The real-time segment uses the scheduled performance data, runway length data and transducer measured parameters to monitor the performance of the airplane throughout the takeoff roll. Airplane acceleration and engine-performance anomalies are detected and annunciated. A novel and important feature of this segment is that it updates the estimated runway rolling friction coefficient. Airplane performance predictions also reflect changes in head wind occurring as the takeoff roll progresses. The system provides a head-down display and a head-up display. The head-up display is projected onto a partially reflective transparent surface through which the pilot views the runway. By comparing the present performance of the airplane with a continually predicted nominal performance based upon given conditions, performance deficiencies are detected by the system and conveyed to pilot in form of both elemental information and integrated information.

Middleton, David B.↗

Dynamic Performance Comparison and Prediction based on Distribution-level Phasor Measurement Units

This paper introduces a new distribution level Phasor Measurement Unit (PMU) which adopts advanced hardware components and structure. The hardware parameters from the new PMU and the existing PMU are used to build a simulation model to predict the PMU performance. Therefore, a real-world testbench is built and four distribution level PMUs are tested under the steady-state and dynamic tests. The quantitative experiment result confirms the prediction model which could guide future PMU design, and also verifies the accuracy of the new PMU on the synchrophasor and frequency measurements in multiple scenarios.

Wu, Yuru↗

Data-Efficient Dimensionality Reduction and Surrogate Modeling of High-Dimensional Stress Fields

Tensor datatypes representing field variables like stress, displacement, velocity, etc., have increasingly become a common occurrence in data-driven modeling and analysis of simulations. Numerous methods [such as convolutional neural networks (CNNs)] exist to address the meta-modeling of field data from simulations. As the complexity of the simulation increases, so does the cost of acquisition, leading to limited data scenarios. Modeling of tensor datatypes under limited data scenarios remains a hindrance for engineering applications. Here, in this article, we introduce a direct image-to-image modeling framework of convolutional autoencoders enhanced by information bottleneck loss function to tackle the tensor data types with limited data. The information bottleneck method penalizes the nuisance information in the latent space while maximizing relevant information making it robust for limited data scenarios. The entire neural network framework is further combined with robust hyperparameter optimization. We perform numerical studies to compare the predictive performance of the proposed method with a dimensionality reduction-based surrogate modeling framework on a representative linear elastic ellipsoidal void problem with uniaxial loading. The data structure focuses on the low-data regime (fewer than 100 data points) and includes the parameterized geometry of the ellipsoidal void as the input and the predicted stress field as the output. The results of the numerical studies show that the information bottleneck approach yields improved overall accuracy and more precise prediction of the extremes of the stress field. Additionally, an in-depth analysis is carried out to elucidate the information compression behavior of the proposed framework.

artificial intelligence↗

Predicting concrete compressive strength using hybrid ensembling of surrogate machine learning models

This study aims to implement a hybrid ensemble surrogate machine learning technique in predicting the compressive strength (CS) of concrete, an important parameter used for durability design and service life prediction of concrete structures in civil engineering projects. For this purpose, an experimental database consisting of 1030 records has been compiled from the machine learning repository of the University of California, Irvine. The database was used to train and validate four conventional machine learning (CML) models, namely Artificial Neural Network (ANN), Linear and Non-Linear Multivariate Adaptive Regression Splines (MARS-L and MARS-C), Gaussian Process Regression (GPR), and Minimax Probability Machine Regression (MPMR). Subsequently, the predicted outputs of CML models were combined and trained using ANN to construct the Hybrid Ensemble Model (HENSM). It is observed that the proposed HENSM produces higher predictive accuracy compared to the CML models used in the present study. The predictive performance of all models for CS prediction was compared using the testing dataset and it is found that the HENSM model attained the highest predictive accuracy in both phases. Based on the experimental results, the newly constructed HENSM model is very potential to be a new alternative in handling the overfitting issues of CML models and hence, can be used to predict the concrete CS, including the design of less polluting and more sustainable concrete constructions.

36 MATERIALS SCIENCE↗

Identifying spatiotemporal patterns in opioid vulnerability: investigating the links between disability, prescription opioids and opioid-related mortality

Background: The opioid crisis remains one of the most daunting and complex public health problems in the United States. This study investigates the national epidemic by analyzing vulnerability profiles of three key factors: opioid-related mortality rates, opioid prescription dispensing rates, and disability rank ordered rates. Methods: This study utilizes county level data, spanning the years 2014 through 2020, on the rates of opioid-related mortality, opioid prescription dispensing, and disability. To successfully estimate and predict trends in these opioid-related factors, we augment the Kalman Filter with a novel spatial component. To define opioid vulnerability profiles, we create heat maps of our filter’s predicted rates across the nation’s counties and identify the hotspots. In this context, hotspots are defined on a year-by-year basis as counties with rates in the top 5% nationally. Results: Our spatial Kalman filter demonstrates strong predictive performance. From 2014 to 2018, these predictions highlight consistent spatiotemporal patterns across all three factors, with Appalachia distinguished as the nation’s most vulnerable region. Starting in 2019 however, the dispensing rate profiles undergo a dramatic and chaotic shift. Conclusions: The initial primary drivers of opioid abuse in the Appalachian region were likely prescription opioids; however, it now appears that abuse is sustained by illegal drugs. Additionally, we find that the disabled subpopulation may be more at risk of opioid-related mortality than the general population. Public health initiatives must extend beyond controlling prescription practices to address the transition to and impact of illicit drug use.

60 APPLIED LIFE SCIENCES↗

Mitigate: An Adaptive Network Data Anonymization Tool Using Condensation-Based Differential Privacy

Modern network devices collect a large amount of data that can be analyzed to identify bottlenecks, anomalies, cyber-attacks, etc. Therefore, there is often a need to analyze such collections of network data quite often by an external expert or by the research community. However, these collections of data contain sensitive, proprietary information. In order for the network data to be shared, it must first be anonymized. The overall objective of this project is to develop an innovative privacy management tool to anonymize network data and achieve sufficient privacy, acceptable data utility, and efficient data analysis at the same time. No existing anonymization methods can achieve all of these at the same time. The core of this technology is a differential private clustering algorithm that provides strong privacy protection, preserves data properties important for subsequent analysis, and allows the party receiving the anonymized data to conduct analysis directly on anonymized data without the need of decryption or any extra processing. The research carried out was to design, implement and verify a solution to this problem by completing the following tasks: 1) developing the core technology; 2) developing a context based method that automatically recommends fields that must be anonymized; 3) conducted experiments showing superior results using our approach compared to existing tools, and 4) developed an intuitive but basic user interface. The research that was conducted generated novel algorithmic techniques that utilize state-of-the-art methods such as condensation, differential privacy preservation, clustering, automated tuning based on contextual awareness, and recommendation techniques to specify columns to users for anonymization leading to optimal privacy that allows research analysis on the dataset. Experiments were conducted to evaluate the efficacy of these novel algorithmic techniques by performing analysis on original non-anonymized datasets, then conducting analysis on the same yet anonymized datasets and comparing the results of the analyses. Overall, the anonymized analysis results were within 1% of the original results, verifying that the generated technology not only guarantees a high level of privacy but also enables research analysis as if it were conducted on the original dataset. Potential applications of this technology include anonymization of any type of structured network datasets that contain sensitive identifiers, such as IP addresses, that can be used in multiple applications. For example, to create an AI or machine learning model for cyber security, e.g., to detect attacks, or for performance analysis, e.g., identify bottlenecks or predict performance. In addition, a market analysis that was conducted for potential applications of this technology identified a broader range of applications of our anonymization technology beyond the network sector that includes healthcare, banking, insurance, securities, finance (FISB), data brokering, cloud services, ad sales, and government.

97 MATHEMATICS AND COMPUTING↗

Comparative evaluation of predicted and measured performance of a 68-cubic meter truncated reverberant noise chamber

The performance of a medium size, truncated reverberation chamber is evaluated in detail. Chamber performance parameters are predicted, using classical acoustic theory, and are compared to results from actual chamber measurements. Discrepancies are discussed in relation to several available empirical corrections developed by other researchers. Of more practical interest is the confirmation of a recent theory stating that the present guide for the ratio of specimen volume to test chamber volume, approximately 10 percent, is overly conservative, and can be increased by a factor of at least 2 and possibly 3. Results and theoretical justification of these findings are presented.

Cyphers, H. D.↗

Passive stabilization of the Long Duration Exposure Facility (LDEF)

The results of a study on the application of the magnetically anchored rate damper to gravity gradient stabilization of the Long Duration Exposure Facility (LDEF) are presented. The analyses and simulations required to investigate the use of an existing viscous magnetic rate damper for rate stabilizing the LDEF spacecraft were performed. The following tasks were included: linear performance estimates, capture and damper requirements, and performance prediction. Each of these tasks was performed for two gravity gradient stabilization configurations; an axisymmetric configuration for two-axis (pitch and roll) stability; and a non-axisymmetric configuration for three-axis stability. The results are presented by stabilization configuration.

Das, A.↗