Search NASA⌕ Search

SEARCH · Search NASA

Results for “Task complexity”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

De novo design of protein structure and function with RFdiffusion

Abstract There has been considerable recent progress in designing new proteins using deep-learning methods 1–9 . Despite this progress, a general deep-learning framework for protein design that enables solution of a wide range of design challenges, including de novo binder design and design of higher-order symmetric architectures, has yet to be described. Diffusion models 10,11 have had considerable success in image and language generative modelling but limited success when applied to protein modelling, probably due to the complexity of protein backbone geometry and sequence–structure relationships. Here we show that by fine-tuning the RoseTTAFold structure prediction network on protein structure denoising tasks, we obtain a generative model of protein backbones that achieves outstanding performance on unconditional and topology-constrained protein monomer design, protein binder design, symmetric oligomer design, enzyme active site scaffolding and symmetric motif scaffolding for therapeutic and metal-binding protein design. We demonstrate the power and generality of the method, called RoseTTAFold diffusion (RFdiffusion), by experimentally characterizing the structures and functions of hundreds of designed symmetric assemblies, metal-binding proteins and protein binders. The accuracy of RFdiffusion is confirmed by the cryogenic electron microscopy structure of a designed binder in complex with influenza haemagglutinin that is nearly identical to the design model. In a manner analogous to networks that produce images from user-specified inputs, RFdiffusion enables the design of diverse functional proteins from simple molecular specifications.

Science & Technology - Other Topics↗
NASA NTRS1987

Telerobotics - Display, control, and communication problems

An experimental telerobotics simulation is described suitable for studying human operator (HO) performance. Simple manipulator pick-and-place and tracking tasks allowed quantitative comparison of a number of calligraphic display viewing conditions. An enhanced perspective display was effective with a reference line from target to base, with or without a complex three-dimensional grid framing the view. This was true especially if geometrical display parameters such as azimuth and elevation were arranged to be near optimal. Quantitative comparisons were made possible, utilizing control performance measures such as root mean square error. There was a distinct preference for controlling the manipulator in end-effector Cartesian space for the primitive pick-and-place task, rather than controlling joint angles and then, via direct kinematis, the end-effector position. An introduced communication delay was found to produce decrease in performance. In considerable part, this difficulty could be compensated for by preview control information. The fact that neurological control of normal human movement contains a sampled data period of 0.2 s may relate to this robustness of HO control to delay.

Stark, Lawrence↗
NASA NTRS2003

The Logical Extension

The same software controlling autonomous and crew-assisted operations for the International Space Station (ISS) is enabling commercial enterprises to integrate and automate manual operations, also known as decision logic, in real time across complex and disparate networked applications, databases, servers, and other devices, all with quantifiable business benefits. Auspice Corporation, of Framingham, Massachusetts, developed the Auspice TLX (The Logical Extension) software platform to effectively mimic the human decision-making process. Auspice TLX automates operations across extended enterprise systems, where any given infrastructure can include thousands of computers, servers, switches, and modems that are connected, and therefore, dependent upon each other. The concept behind the Auspice software spawned from a computer program originally developed in 1981 by Cambridge, Massachusetts-based Draper Laboratory for simulating tasks performed by astronauts aboard the Space Shuttle. At the time, the Space Shuttle Program was dependent upon paper-based procedures for its manned space missions, which typically averaged 2 weeks in duration. As the Shuttle Program progressed, NASA began increasing the length of manned missions in preparation for a more permanent space habitat. Acknowledging the need to relinquish paper-based procedures in favor of an electronic processing format to properly monitor and manage the complexities of these longer missions, NASA realized that Draper's task simulation software could be applied to its vision of year-round space occupancy. In 1992, Draper was awarded a NASA contract to build User Interface Language software to enable autonomous operations of a multitude of functions on Space Station Freedom (the station was redesigned in 1993 and converted into the international venture known today as the ISS)

Source record↗
DOE OSTI2024

Designing Remote Monitoring for Smart Manufacturing Facilities: Hazard Identification and Classification

This study investigates the process of hazard identification in complex manufacturing environments during the design phase, emphasizing the significance of the design process in developing designs that effectively mitigate hazards in contexts with numerous variables, such as a variety of machines, sensors, actuators, and agents. Through a mixed-methods approach, the objective of this work is to understand how the evolution of design outcomes across various stages might influence a designer’s ability to recognize both standard and novel hazards. To achieve this understanding, an experimental design task was conducted with six designers from a national lab specializing in manufacturing technologies. This approach combined qualitative and quantitative data analysis from a one-hour virtual session with participants. Findings suggest that the complexity of identifying hazards in a high-dimensional design space is challenging within a limited time frame and that the identification of hazards is significantly influenced by the stage of the design task and the initial design decisions, indicating the need for extended time and strategic initial planning in the design process to enhance hazard identification.

Ballestas, Caseysimone↗
DOE OSTI2023

Exploring Randomly Wired Neural Networks for Climate Model Emulation

Exploring the climate impacts of various anthropogenic emissions scenarios is key to making informed decisions for climate change mitigation and adaptation. State-of-the-art Earth system models can provide detailed insight into these impacts but have a large associated computational cost on a per-scenario basis. This large computational burden has driven recent interest in developing cheap machine learning models for the task of climate model emulation. In this paper, we explore the efficacy of randomly wired neural networks for this task. We describe how they can be constructed and compare them with their standard feedforward counterparts using the ClimateBench dataset. Specifically, we replace the serially connected dense layers in multilayer perceptrons, convolutional neural networks, and convolutional long short-term memory networks with randomly wired dense layers and assess the impact on model performance for models with 1 million and 10 million parameters. We find that models with less-complex architectures see the greatest performance improvement with the addition of random wiring (up to 30.4% for multilayer perceptrons). Furthermore, of 24 different model architecture, parameter count, and prediction task combinations, only one had a statistically significant performance deficit in randomly wired networks relative to their standard counterparts, with 14 cases showing statistically significant improvement. We also find no significant difference in prediction speed between networks with standard feedforward dense layers and those with randomly wired layers. These findings indicate that randomly wired neural networks may be suitable direct replacements for traditional dense layers in many standard models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Efficient graph representation framework for chemical molecule similarity tasks

Graph data has emerged in numerous scientific domains and machine learning techniques have been widely used for analysis and learning of diverse data for prediction and decision. Machine learning techniques can readily address complex problems by leveraging their structural information. But graphs cannot be directly used for existing machine learning algorithms unless encoded as vectors. The problem of efficient representation of graphs is a substantial challenge in graph machine learning. In this paper, we propose a novel two-stage framework for the representation of chemical molecule graphs based on the strengths of Graph Isomorphism Networks (GINs) and Siamese autoencoders. In the first stage, the GIN model is constructed and trained using the structural information of chemical molecule graphs. Node attributes, edge attributes, and edge indices are used as input data, while graph attributes are used as labels. The GIN model effectively captures the structural characteristics of graphs and can accurately predict graph attributes, i.e., molecular properties. It also generates Graph Embeddings, represented as vectors that encode the structural information of graphs. In the second stage, Graph Embedding vectors are further optimized for downstream similarity tasks while preserving the graph structural information. The Siamese autoencoder is constructed and trained, which reduces the dimensionality of the Graph Embedding vectors, while maximizing the preservation of structural information in the original high-dimensional vectors. The resulting low-dimensional Graph Embeddings can be effectively utilized for tasks such as approximate nearest neighbor search. The experimental results demonstrate the effectiveness of our proposed framework in accurately predicting graph similarity.

Ma, Jiaji↗
DOE OSTI2024

Towards Agentic AI on Particle Accelerators

As particle accelerators grow in complexity, traditional control methods face increasing challenges in achieving optimal performance. This paper envisions a paradigm shift: a decentralized multi-agent framework for accelerator control, powered by Large Language Models (LLMs) and distributed among autonomous agents. We present a proposition of a self-improving decentralized system where intelligent agents handle high-level tasks and communication and each agent is specialized control individual accelerator components. This approach raises some questions: What are the future applications of AI in particle accelerators? How can we implement an autonomous complex system such as a particle accelerator where agents gradually improve through experience and human feedback? What are the implications of integrating a human-in-the-loop component for labeling operational data and providing expert guidance? We show two examples, where we demonstrate viability of such architecture.

43 PARTICLE ACCELERATORS↗
NASA NTRS1990

Recent experience with multidisciplinary analysis and optimization in advanced aircraft design

The task of modern aircraft design has always been complicated due to the number of intertwined technical factors from the various engineering disciplines. Furthermore, this complexity has been rapidly increasing by the development of such technologies as aeroelasticity tailored materials and structures, active control systems, integrated propulsion/airframe controls, thrust vectoring, and so on. Successful designs that achieve maximum advantage from these new technologies require a thorough understanding of the physical phenomena and the interactions among these phenomena. A study commissioned by the Aeronautical Sciences and Evaluation Board of the National Research Council has gone so far as to identify technology integration as a new discipline from which many future aeronautical advancements will arise. Regardless of whether one considers integration as a new discipline or not, it is clear to all engineers involved in aircraft design and analysis that better methods are required. In the past, designers conducted parametric studies in which a relatively small number of principal characteristics were varied to determine the effect on design requirements which were themselves often diverse and contradictory. Once a design was chosen, it then passed through the various engineers' disciplines whose principal task was to make the chosen design workable. Working in a limited design space, the discipline expert sometimes improved the concept, but more often than not, the result was in the form of a penalty to make the original concept workable. If an insurmountable problem was encountered, the process began over. Most design systems that attempt to account for disciplinary interactions have large empirical elements and reliance on past experience is a poor guide in obtaining maximum utilizations of new technologies. Further compounding the difficulty of design is that as the aeronautical sciences have matured, the discipline specialist's area of research has generally narrowed as more sophisticated methods are developed in the specialist's area of expertise. The results have been a decrease in the awareness of the impact of his decisions on other disciplines. This paper will outline the progress and problems encountered in the analysis, design, optimization sensitivity analysis, mathematical modeling, and configurations control and the means by which they are being solved. The breadth versus depth dilemma in analysis and design and the means for coping with that dilemma will be discussed. Finally, the all-important human aspects and the need for a new 'culture ' for doing business in an integrated, multidisciplinary design environment are discussed.

Dollyhigh, Samuel M.↗
DOE OSTI2024

Sensory integration for neuroprostheses: from functional benefits to neural correlates

In the field of sensory neuroprostheses, one ultimate goal is for individuals to perceive artificial somatosensory information and use the prosthesis with high complexity that resembles an intact system. To this end, research has shown that stimulation elicited somatosensory information improves prosthesis perception and task performance. While studies strive to achieve sensory integration, a crucial phenomenon that entails naturalistic interaction with the environment, this topic has not been commensurately reviewed. Therefore, here we present a perspective for understanding sensory integration in neuroprostheses. First, we review the engineering aspects and functional outcomes in sensory neuroprosthesis studies. In this context, we summarize studies that have suggested sensory integration. We focus on how they have used stimulation-elicited percepts to maximize and improve the reliability of somatosensory information. Next, we review studies that have suggested multisensory integration. These works have demonstrated that congruent and simultaneous multisensory inputs provided cognitive benefits such that an individual experiences a greater sense of authority over prosthesis movements (i.e., agency) and perceives the prosthesis as part of their own (i.e., ownership). Thereafter, we present the theoretical and neuroscience framework of sensory integration. We investigate how behavioral models and neural recordings have been applied in the context of sensory integration. Sensory integration models developed from intact-limb individuals have led the way to sensory neuroprosthesis studies to demonstrate multisensory integration. Neural recordings have been used to show how multisensory inputs are processed across cortical areas. Lastly, we discuss some ongoing research and challenges in achieving and understanding sensory integration in sensory neuroprostheses. Here, resolving these challenges would help to develop future strategies to improve the sensory feedback of a neuroprosthetic system.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Uncertainty quantification of graph convolution neural network models of evolving processes

The application of neural network models to scientific machine learning tasks has proliferated in recent years. In particular, neural networks have proved to be adept at modeling processes with spatial–temporal complexity. Nevertheless, these highly parameterized models have garnered skepticism in their ability to produce outputs with quantified error bounds over the regimes of interest. Hence there is a need to find uncertainty quantification methods that are suitable for neural networks. In this work we present comparisons of the parametric uncertainty quantification of neural networks modeling complex spatial–temporal processes with Hamiltonian Monte Carlo and Stein variational gradient descent and its projected variant. Specifically we apply these methods to graph convolutional neural network models of evolving systems modeled with recurrent neural network and neural ordinary differential equations architectures. We show that Stein variational inference is a viable alternative to Monte Carlo methods with some clear advantages for complex neural network models. For our exemplars, Stein variational interference gave similar pushed forward uncertainty profiles through time compared to Hamiltonian Monte Carlo, albeit with generally more generous variance. As a result, projected Stein variational gradient descent also produced similar uncertainty profiles to the non-projected counterpart, but large reductions in the active weight space were confounded by the stability of the neural network predictions and the convoluted likelihood landscape.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Multitask Machine Learning of Collective Variables for Enhanced Sampling of Rare Events

Computing accurate reaction rates is a central challenge in computational chemistry and biology because of the high cost of free energy estimation with unbiased molecular dynamics. In this work, a data-driven machine learning algorithm is devised to learn collective variables with a multitask neural network, where a common upstream part reduces the high dimensionality of atomic configurations to a low dimensional latent space and separate downstream parts map the latent space to predictions of basin class labels and potential energies. Here, the resulting latent space is shown to be an effective low-dimensional representation, capturing the reaction progress and guiding effective umbrella sampling to obtain accurate free energy landscapes. This approach is successfully applied to model systems including a 5D Müller Brown model, a 5D three-well model, the alanine dipeptide in vacuum, and an Au(110) surface reconstruction unit reaction. It enables automated dimensionality reduction for energy controlled reactions in complex systems, offers a unified and data-efficient framework that can be trained with limited data, and outperforms single-task learning approaches, including autoencoders.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Unraveling Crop Residue Harvest Effects on Soil Organic Carbon

Crop residues protect soil resources, sustain soil organic carbon (SOC), cycle nutrients, support microbial communities, and provide bioenergy feedstock. Herein we (i) summarize the origin of the “Crop Residues for Advanced Biofuels: Effects on Soil Carbon” workshop; (ii) review the workshop structure; and (iii) present consensus points, unanswered questions, and outcomes of the workshop. Initiated by a farmer/ethanol investor’s letter to the American Society of Agronomy (ASA) President, an ASA Working Group (WG) was established to make a recommendation to the ASA Board on how to respond. The WG concluded a Tri-Society sponsored workshop involving farmers, ethanol production and marketing groups, agronomists, crop scientists, soil scientists, engineers, non-governmental organizations, life cycle analysis (LCA) experts, and regulatory personnel was needed to address the complex question that had been posed and to ensure all viewpoints were fully represented. The WG was expanded to an ASA Task Force who organized the workshop in Sacramento, CA. Eighty workshop attendees identified four consensus areas (crop residue management [CRM]; severity of soil erosion; tillage, CRM and erosion linkages; and the importance of simulation [LCA] models) and four unresolved themes (carbon sequestration, CRM effects on SOC stocks, changing climate effects, and the need to focus on ecosystem services rather than single endpoints). The workshop resulted in three direct outcomes: (i) development of a stakeholder funded SOC database, (ii) LCA and SOC model improvements, and (iii) development of this special section in Agronomy Journal. Dale and Ong (2014) concluded that large scale, renewable energy systems are no longer just a “good idea”; but essential, and during the next few decades society must develop systems capable of producing clean energy at the multi-terawatt scale. Crop residues such as corn (Zea mays L.) stover, and other cellulosic materials were identified as potential feedstocks to meet this demand and have been rigorously evaluated for the past decade (e.g., Perlack et al., 2005; U.S. Department of Energy, 2011 and 2016). However, it is also well established that crop residues have important ecosystem service and productivity functions (Larson, 1979; Johnson, 2018; Ibrahim et al., 2018).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Dynamical Inference and 3D Imaging of Magnetized Dusty Plasmas

This is the final technical report for this DOE award. The motion of dust particles in a laboratory plasma has been studied for nearly 30 years and has led to the discovery of strongly-coupled crystalline structures and nonequilibrium dynamics governed by gravitational, hydrodynamic, and electrostatic forces. Many of the inter-particle forces are complex; they can be non-reciprocal, and non-additive. Deciphering the mélange of particle interactions has been a challenging task, nevertheless, magnetized dusty plasmas remains an open challenge with limited understanding. With applications ranging from magnetically-confined plasmas for fusion to near-surface planetary environments, this research field is ripe for well-controlled, laboratory experiments and new theoretical tools. In collaboration with the MDPX experiment at Auburn University, this proposal aims to tease apart both the known and unknown forces that drive dusty plasmas in magnetized environments using high-resolution, three-dimensional imaging and particle tracking coupled with modern dynamical inference and machine learning techniques.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

VA EDH Advanced Software Pipeline Framework Report: Enhancing Automation and Scalability

The VA Environmental Determinants of Health (EDH) Advanced Software Pipeline Framework is designed to enhance the efficiency, scalability, and security of geospatial data processing workflows. This framework integrates modern data orchestration and containerization technologies, including Prefect for workflow automation, Docker for containerization, and PostgreSQL/PostGIS for geospatial data storage and analysis. It ensures standardized, reproducible, and automated data processing, supporting VA objectives related to substance use risk assessment and recovery research. The pipeline addresses key scalability and performance challenges through horizontal and vertical scaling, high-performance computing (HPC) integration, parallel processing, task caching, and dynamic resource allocation. These optimizations improve throughput and reduce latency, allowing the system to efficiently manage large and complex datasets. Additionally, security and compliance measures—such as data encryption (SSL), Role-Based Access Control (RBAC), and adherence to GDPR and HIPAA standards—safeguard sensitive information throughout data transmission and storage. A key implementation of this framework includes the automation of shelter list geolocation workflows, ensuring that up-to-date data is readily available for VA decision-making. Lessons learned from this project include the transition from in-memory processing to incremental storage writes, improving resource management and reliability. Future enhancements aim to expand automation, integrate AI-driven anomaly detection, and incorporate high-performance computing resources. This framework provides a scalable, secure, and adaptable solution for managing geospatial datasets, reinforcing the VA’s ability to support clinical and strategic initiatives through data-driven decision-making.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Yet Another Discriminant Analysis (YADA): A Probabilistic Model for Machine Learning Applications

This paper presents a probabilistic model for various machine learning (ML) applications. While deep learning (DL) has produced state-of-the-art results in many domains, DL models are complex and over-parameterized, which leads to high uncertainty about what the model has learned, as well as its decision process. Further, DL models are not probabilistic, making reasoning about their output challenging. In contrast, the proposed model, referred to as Yet Another Discriminate Analysis(YADA), is less complex than other methods, is based on a mathematically rigorous foundation, and can be utilized for a wide variety of ML tasks including classification, explainability, and uncertainty quantification. YADA is thus competitive in most cases with many state-of-the-art DL models. Ideally, a probabilistic model would represent the full joint probability distribution of its features, but doing so is often computationally expensive and intractable. Hence, many probabilistic models assume that the features are either normally distributed, mutually independent, or both, which can severely limit their performance. YADA is an intermediate model that (1) captures the marginal distributions of each variable and the pairwise correlations between variables and (2) explicitly maps features to the space of multivariate Gaussian variables. Numerous mathematical properties of the YADA model can be derived, thereby improving the theoretic underpinnings of ML. Validation of the model can be statistically verified on new or held-out data using native properties of YADA. However, there are some engineering and practical challenges that we enumerate to make YADA more useful.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1983

Launch vehicle aerodynamic data base development comparison with flight data

The aerodynamic development plan for the Space Shuttle integrated vehicle had three major objectives. The first objective was to support the evolution of the basic configuration by establishing aerodynamic impacts to various candidate configurations. The second objective was to provide continuing evaluation of the basic aerodynamic characteristics in order to bring about a mature data base. The third task was development of the element and component aerodynamic characteristics and distributed air loads data to support structural loads analyses. The complexity of the configurations rendered conventional analytic methods of little use and therefore required extensive wind tunnel testing of detailed complex models. However, the ground testing and analyses did not predict the aerodynamic characteristics that were extracted from the Space Shuttle flight test program. Future programs that involve the use of vehicles similar to the Space Shuttle should be concerned with the complex flow fields characteristics of these types of complex configurations.

Hamilton, J. T.↗
NASA NTRS1986

Anthropometric considerations for a 4-axis side-arm flight controller

A data base on multiaxis side-arm flight controls was generated. The rapid advances in fly-by-light technology, automatic stability systems, and onboard computers have combined to create flexible flight control systems which could reduce the workload imposed on the operator by complex new equipment. This side-arm flight controller combines four controls into one unit and should simplify the pilot's task. However, the use of a multiaxis side-arm flight controller without complete cockpit integration may tend to increase the pilot's workload.

Debellis, W. B.↗
NASA NTRS1988

A visual programming environment for the Navier-Stokes computer

The Navier-Stokes computer is a high-performance, reconfigurable, pipelined machine designed to solve large computational fluid dynamics problems. Due to the complexity of the architecture, development of effective, high-level language compilers for the system appears to be a very difficult task. Consequently, a visual programming methodology has been developed which allows users to program the system at an architectural level by constructing diagrams of the pipeline configuration. These schematic program representations can then be checked for validity and automatically translated into machine code. The visual environment is illustrated by using a prototype graphical editor to program an example problem.

Tomboulian, Sherryl↗