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DOE OSTI2023

Machine learning sheds light on microbial dark proteins

In this article, metagenomics projects have revealed more than 8 billion non-redundant microbial protein sequences from across the Earth’s biosphere. Of these, 1.17 billion proteins do not have recognizable homologues in any of the more than 100,000 reference genomes available1. Understanding the function of these microbial proteins is a daunting task. Fortunately, machine learning has recently achieved unprecedented accuracy in modelling complex biological data and making predictions. At the forefront of these advancements are machine learning-based approaches that can confidently predict atomic-level protein structures for many (but not all) amino acid sequences.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Advances in machine-learning-based sampling motivated by lattice quantum chromodynamics

Sampling from known probability distributions is a ubiquitous task in computational science, underlying calculations in domains from linguistics to biology and physics. Generative machine-learning (ML) models have emerged as a promising tool in this space, building on the success of this approach in applications such as image, text, and audio generation. Often, however, generative tasks in scientific domains have unique structures and features—such as complex symmetries and the requirement of exactness guarantees—that present both challenges and opportunities for ML. This Perspective outlines the advances in ML-based sampling motivated by lattice quantum field theory, in particular for the theory of quantum chromodynamics. Enabling calculations of the structure and interactions of matter from our most fundamental understanding of particle physics, lattice quantum chromodynamics is one of the main consumers of open-science supercomputing worldwide. Here, the design of ML algorithms for this application faces profound challenges, including the necessity of scaling custom ML architectures to the largest supercomputers, but also promises immense benefits, and is spurring a wave of development in ML-based sampling more broadly. In lattice field theory, if this approach can realize its early promise it will be a transformative step towards first-principles physics calculations in particle, nuclear and condensed matter physics that are intractable with traditional approaches.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Parallel general purpose multiobjective optimization framework with application to electron beam dynamics

Particle accelerators are invaluable tools for research in the basic and applied sciences, such as materials science, chemistry, the biosciences, particle physics, nuclear physics and medicine. The design, commissioning, and operation of accelerator facilities is a nontrivial task, due to the large number of control parameters and the complex interplay of several conflicting design goals. The Argonne Wakefield Accelerator facility has some unique challenges resulting from its purpose to carry out advanced accelerator R&D. Individual experiments often have challenging beam requirements, and the physical configuration of the beam lines is often changed to accommodate the variety of supported experiments. The need for rapid deployment of different operational settings further complicates the optimization work that must be done for multiple constraints and challenging operational regimes. One example of this is an independently staged two-beam acceleration experiment which requires the construction of an additional beam line (this is now in progress). The high charge drive beam, well into the space charge regime, must be threaded through small aperture (17.6 mm) decelerating structures. In addition, the bunch length must be sufficiently short to maximize power generation in the decelerator. We propose to tackle this problem by means of multiobjective optimization algorithms which also facilitate a parallel deployment. In order to compute solutions in a meaningful time frame, a fast and scalable software framework is required. In this paper, we present a general-purpose framework for simulation-based multiobjective optimization methods that allows the automatic investigation of optimal sets of machine parameters. Using evolutionary algorithms as the optimizer and opal as the forward solver, validation experiments and results of multiobjective optimization problems in the domain of beam dynamics are presented. Optimized solutions for the new high charge drive beam line found by the framework were used to finish the design of a two beam acceleration experiment. The selected solution along with the associated beam parameters is presented.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

A Framework for Evaluating the Implementation Cost of Attacks on Large Language Models

Large Language Models (LLMs) have been increasingly proposed as a method to enhance productivity in tasks that involve language and code. However, these models are large, complex, and their capabilities are not easily understood and controlled, meaning that their adoption opens many possibilities for new cyberattacks and misuse. Numerous attacks on LLMs have been reported and summarized in literature reviews, but we found existing reviews lacking in understanding the implementation cost of the attacks - i.e., how much effort would an attacker need in terms of coding, expertise, and resources to adopt attacks presented in the literature. Therefore, we divide existing attacks on LLMs into a taxonomy, and define a cost evaluation framework to determine the cost of the attack. An attack’s cost can be 1) estimated from reading the publication about the attack or 2) determined by implementing the attack from that publication. We provide an example evaluation of a couple jailbreaking frameworks based on experiments, and then apply the more lightweight cost estimate to a representative selection of attacks across the taxonomy we define. We discuss the relative difficulty of the attacks and also highlight defenses that have attempted to mitigate these attacks and assess their effectiveness.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1984

Mental Models of Invisible Logical Networks

Subjects were required to discover the structure of a logical network whose links were invisible. Network structure had to be inferred from the behavior of the components after a failure. It was hypothesized that since such failure diagnosis tasks often draw on spatial processes, a good deal of spatial complexity in the network should affect network discovery. Results show that the ability to discover the linkages in the network is directly related to the spatial complexity of the pathway described by the linkages. This effect was generally independent of the amount of evidence available to subjects about the existence of the link. These results raise the question of whether inferences about spatially complex pathways were simply not made, or whether they were made but not retained because of a high load on memory resources.

Sanderson, P.↗

NASA NTRS1986

Crew factors in flight operations. Part 3: The operational significance of exposure to short-haul air transport operations

Excessive flightcrew fatigue has potentially serious safety consequences. Laboratory studies have implicated fatigue as a causal factor associated with varying levels of performance deterioration depending on the amount of fatigue and the type of measure utilized in assessing performance. These studies have been of limited utility because of the difficulty of relating laboratory task performance to the demands associated with the operation of a complex aircraft. The performance of 20 volunteer twin-jet transport crews is examined in a full-mission simulator scenario that included most aspects of an actual line operation. The scenario included both routine flight operations and an unexpected mechanical abnormality which resulted in a high level of crew workload. Half of the crews flew the simulation within two to three hours after completing a three-day, high-density, short-haul duty cycle (Post-Duty condition). The other half flew the scenario after a minimum of three days off duty (Pre-Duty) condition). The results revealed that, not surprisingly, Post-Duty crews were significantly more fatigued than Pre-Duty crews. However, a somewhat counter-intuitive pattern of results emerged on the crew performancemeasures. In general, the performance of Post-Duty crews was significantly better than that of Pre-Duty crews, as rated by an expert observer on a number of dimensions relevant to flight safety. Analyses of the flightcrew communication patterns revealed that Post-Duty crews communicated significantly more overall, suggesting, as has previous research, that communication is a good predictor of overall crew performance.

Foushee, H. C.↗

NASA NTRS1991

Reasoning about real-time systems with temporal interval logic constraints on multi-state automata

Models of real-time systems using a single paradigm often turn out to be inadequate, whether the paradigm is based on states, rules, event sequences, or logic. A model-based approach to reasoning about real-time systems is presented in which a temporal interval logic called TIL is employed to define constraints on a new type of high level automata. The combination, called hierarchical multi-state (HMS) machines, can be used to model formally a real-time system, a dynamic set of requirements, the environment, heuristic knowledge about planning-related problem solving, and the computational states of the reasoning mechanism. In this framework, mathematical techniques were developed for: (1) proving the correctness of a representation; (2) planning of concurrent tasks to achieve goals; and (3) scheduling of plans to satisfy complex temporal constraints. HMS machines allow reasoning about a real-time system from a model of how truth arises instead of merely depending of what is true in a system.

Gabrielian, Armen↗

NASA NTRS1993

Chairmanship of the Neptune/Pluto outer planets science working group

The Outer Planets Science Working Group (OPSWG) is the NASA Solar System Exploration Division (SSED) scientific steering committee for the Outer Solar System missions. OPSWG consists of 19 members and is chaired by Dr. S. Alan Stern. This proposal summarizes the FY93 activities of OPSWG, describes a set of objectives for OPSWG in FY94, and outlines the SWG's activities for FY95. As chair of OPSWG, Dr. Stern will be responsible for: organizing priorities, setting agendas, conducting meetings of the Outer Planets SWG; reporting the results of OPSWG's work to SSED; supporting those activities relating to OPSWG work, such as briefings to the SSES, COMPLEX, and OSS; supporting the JPL/SAIC Pluto study team; and other tasks requested by SSED. As the Scientific Working Group (SWG) for Jupiter and the planets beyond, OPSWG is the SSED SWG chartered to study and develop mission plans for all missions to the giant planets, Pluto, and other distant objects in the remote outer solar system. In that role, OPSWG is responsible for: defining and prioritizing scientific objectives for missions to these bodies; defining and documenting the scientific goals and rationale behind such missions; defining and prioritizing the datasets to be obtained in these missions; defining and prioritizing measurement objectives for these missions; defining and documenting the scientific rationale for strawman instrument payloads; defining and prioritizing the scientific requirements for orbital tour and flyby encounter trajectories; defining cruise science opportunities plan; providing technical feedback to JPL and SSED on the scientific capabilities of engineering studies for these missions; providing documentation to SSED concerning the scientific goals, objectives, and rationale for the mission; interfacing with other SSED and OSS committees at the request of SSED's Director or those committee chairs; providing input to SSED concerning the structure and content of the Announcement of Opportunity for payload and scientific team selection for such missions; and providing other technical or programmatic inputs concerning outer solar system missions at the request of the Director of SSED.

Stern, S. Alan↗

NASA NTRS1995

NASA-IGES Translator and Viewer

NASA-IGES Translator (NIGEStranslator) is a batch program that translates a general IGES (Initial Graphics Exchange Specification) file to a NASA-IGES-Nurbs-Only (NINO) file. IGES is the most popular geometry exchange standard among Computer Aided Geometric Design (CAD) systems. NINO format is a subset of IGES, implementing the simple and yet the most popular NURBS (Non-Uniform Rational B-Splines) representation. NIGEStranslator converts a complex IGES file to the simpler NINO file to simplify the tasks of CFD grid generation for models in CAD format. The NASA-IGES Viewer (NIGESview) is an Open-Inventor-based, highly interactive viewer/ editor for NINO files. Geometry in the IGES files can be viewed, copied, transformed, deleted, and inquired. Users can use NIGEStranslator to translate IGES files from CAD systems to NINO files. The geometry then can be examined with NIGESview. Extraneous geometries can be interactively removed, and the cleaned model can be written to an IGES file, ready to be used in grid generation.

Chou, Jin J.↗

NASA NTRS1994

Quality assurance and risk management: Perspectives on Human Factors Certification of Advanced Aviation Systems

This paper is based on the experience of engineering psychologists advising the U.K. Ministry of Defense (MoD) on the procurement of advanced aviation systems that conform to good human engineering (HE) practice. Traditional approaches to HE in systems procurement focus on the physical nature of the human-machine interface. Advanced aviation systems present increasingly complex design requirements for human functional integration, information processing, and cognitive task performance effectiveness. These developing requirements present new challenges for HE quality assurance (QA) and risk management, requiring focus on design processes as well as on design content or product. A new approach to the application of HE, recently adopted by NATO, provides more systematic ordering and control of HE processes and activities to meet the challenges of advanced aircrew systems design. This systematic approach to HE has been applied by MoD to the procurement of mission systems for the Royal Navy Merlin helicopter. In MoD procurement, certification is a judicial function, essentially independent of the service customer and industry contractor. Certification decisions are based on advice from MoD's appointed Acceptance Agency. Test and evaluation (T&E) conducted by the contractor and by the Acceptance Agency provide evidence for certification. Certification identifies limitations of systems upon release to the service. Evidence of compliance with HE standards traditionally forms the main basis of HE certification and significant non-compliance could restrict release. The systems HE approach shows concern for the quality of processes as well as for the content of the product. Human factors certification should be concerned with the quality of HE processes as well as products. Certification should require proof of process as well as proof of content and performance. QA criteria such as completeness, consistency, timeliness, and compatibility provide generic guidelines for progressive acceptance and certification of HE processes. Threats to the validity of certification arise from problems and assumptions in T&E methods. T&E should seek to reduce the risk of specification non-compliance and certification failure.

Taylor, Robert M.↗

NASA NTRS2002

Real-Time Embedded Software Verification and Validation 2001

As the space applications become more complex and timing constraints on control actions are more stringent, the task of integrating and testing NASA's real-time systems (such as X-38 Crew Return Vehicle, and certain International Space Station autonomous systems) has become a great challenge. A testing environment where can preserve consistent temporal behaviors as in the target execution must be established for system-level verification and software quality assurance. Our goal is to develop an analysis suite for validation and verification of real-time systems that are used to perform human- in-the-loop control operations during safety-critical missions. The suite will be able to carry out quantitative approaches of coverage diagnostic and temporal behavior evaluation in order to measure test coverage, to optimize test utilization, and to verify timing correctness.

Lee, Yann-Hang↗

NASA NTRS2004

A Simplified Mesh Deformation Method Using Commercial Structural Analysis Software

Mesh deformation in response to redefined or moving aerodynamic surface geometries is a frequently encountered task in many applications. Most existing methods are either mathematically too complex or computationally too expensive for usage in practical design and optimization. We propose a simplified mesh deformation method based on linear elastic finite element analyses that can be easily implemented by using commercially available structural analysis software. Using a prescribed displacement at the mesh boundaries, a simple structural analysis is constructed based on a spatially varying Young s modulus to move the entire mesh in accordance with the surface geometry redefinitions. A variety of surface movements, such as translation, rotation, or incremental surface reshaping that often takes place in an optimization procedure, may be handled by the present method. We describe the numerical formulation and implementation using the NASTRAN software in this paper. The use of commercial software bypasses tedious reimplementation and takes advantage of the computational efficiency offered by the vendor. A two-dimensional airfoil mesh and a three-dimensional aircraft mesh were used as test cases to demonstrate the effectiveness of the proposed method. Euler and Navier-Stokes calculations were performed for the deformed two-dimensional meshes.

Hsu, Su-Yuen↗

NASA NTRS2016

Astronauts and IoT: Toward True Human-Autonomy Teaming

Advances in the area of Internet of Things (IoT) or Cyber-Physical Systems will have a significant impact on many areas of human activity and commercial/technological development. One application of importance to NASA is the need to make crews on deep space missions more independent from earth in both their routine activities and handling of unexpected events. IoT will allow increasingly intelligent systems to be aware of what humans are doing, what tools/resources they are using, and what help they might need in terms of procedure execution in tasks such as assembly, maintenance, repair, and perhaps even in more complex activities like medical interventions. This talk focuses on the convergence of research and technologies that will be needed to effect such intelligent systems based on IoT.

Internet of Things (IoT)↗

NASA NTRS2018

GPM Mission's Best Practices: PERP

Similar to other missions, the Global Precipitation Measurement (GPM) Core Observatory's Command and Data Handling (C&DH) subsystem is critical for operations of the spacecraft. The onboard C&DH system comprises of two fully redundant boxes - a primary and a cold backup. Within each box, amongst other components, is a Single Board Computer (SBC) that hosts the flight software (FSW) system. In the event of an SBC reset, the Flight Operations Team (FOT) is poised with a lengthy task of restoring the SBC to nominal configuration. Due to the complexity of the C&DH system, this may take many days at a time to complete. The spacecraft's FSW applications are located in Electronically Erasable Programmable Read-Only Memory (EEPROM) and are copied into Random Access Memory (RAM) upon SBC initialization/reset. Each SBC has two banks of EEPROM, with each bank containing a copy of the FSW. Since launch, there have been many configuration changes to tables and applications that have been loaded into just RAM. Unfortunately, these changes are vulnerable to being wiped during a SBC initialization/reset, when the RAM is overwritten by the EEPROM. Although the EEPROM loads the default FSW configurations, the process to command non-default individual table and application changes is very cumbersome and time consuming. This consequentially increases the time until the spacecraft is back into nominal Mission Science Mode (MSM) drastically. The GPM Power-On Reset (POR) Expedited Recovery Process (PERP) Design introduces a method of consolidating commands into a single file load which the SBC can process independently of the ground - decreasing recovery time, the level of TDRS support reliance, and human error. This tested design can be implemented across many other missions that utilize a similar core Flight Executive (cFE) platform; hence providing an easy-to-follow, safe, and efficient process that can be applied across the board.

recovery↗

NASA NTRS2014

Human Factors of Automation in the Airline Cockpit

The introduction of automation to the automobile is following an approach similar to that used to bring automation to the airline cockpit. As technologies incrementally became available to automate portions of the flying task, pilots were left to perform those portions of the task for which engineers were still working towards automating. A number of problems have resulted from this process of gradual takeover of a job once performed entirely by humans. Pilots struggle to maintain awareness of a task with which they are no longer intimately involved and of complex technologies that they do not fully understand. Particularly difficult problems arise when increasingly reliable automated systems reach the limits of their capabilities and require pilots to suddenly exercise manual control and reasoning skills that have slipped away as a result of disuse. We argue that car automation will face these problems and more. Aviation enjoys a broad system of redundancies and safety nets, and, high in the sky, more time to address any problems that arise. We review the literature describing problems that were observed as automation was introduced to the airline cockpit and invite car automation designers to consider how they might play out as technology is gradually introduced to cars and drivers.

Casner, Stephen↗

NASA NTRS2018

Review of Multi-Agent Algorithms for Collective Behavior: a Structural Taxonomy

In this paper, we review multi-agent collective behavior algorithms in the literature and classify them according to their underlying mathematical structure. For each mathematical technique, we identify the multi-agent coordination tasks it can be applied to, and we analyze its scalability, bandwidth use, and demonstrated maturity. We highlight how versatile techniques such as artiﬁcial potential functions can be used for applications ranging from low-level position control to high-level coordination and task allocation, we discuss possible reasons for the slow adoption of complex distributed coordination algorithms in the ﬁeld, and we highlight areas for further research and development.

Pavone, Marco↗

NASA NTRSDate not supplied

Using Controlled Impact Experiments to Understand the Effects of Cohesive Blocks on the Cratering Process

When considering large-scale impact events that occur in the gravity-regime, smallscale target heterogeneities (on order of the projectile diameter) are anticipated to have a minimal effect on the cratering process and are therefore not considered in scaling relations [1-3]. Such heterogeneities and other details of the target's strength and structure, however, become increasingly influential as the magnitude of the impact decreases [4]. At the scale of craters forming mostly in regolith on the Moon (< a few meters), for example, target properties such as cohesive strength, density, porosity, and friction have more leverage than gravity to influence the resultant crater dimensions [5]. Further complications beyond just target properties can manifest in many forms, such as subsurface layers [6]; the presence of random, competent blocks [7]; buried lenses of impact melt; and/or pockets of regolith compacted or indurated to varying degrees by previous impacts. Summing the total effect of target properties and any additional heterogeneities for integration into scaling relations is not straightforward, as each individual parameter will have unequal, and so far, unquantified, effects on the final crater. Even when craters are produced under a best-case scenario of controlled laboratory conditions, understanding the entire relevant parameter space can be a formidable task, and deconvolution of all the contributing factors can be a complex undertaking. To begin the process of quantifying such effects, we are conducting an extensive series of impact experiments to build a framework for the interpretation of craters observed on the characteristically complex surfaces throughout the solar system. Here we present the first, and simplest, configuration to be examined in this multi-year experimental campaign: one in which solitary, cohesive blocks are placed in the path of the projectile’s trajectory at different burial depths in granular, sand targets. Among the variables to be investigated in this configuration are the influence of block size, compressive strength, and burial depth.

impact crater↗

DOE OSTI2025

Towards the development of resonantly enhanced laser-based diagnostics for molten salt reactor safeguards

The adoption of Generation IV molten salt reactors (MSRs) depends on the ability to implement compatible monitoring instrumentation to ensure adherence to nuclear safeguards. This task is nontrivial due to the high temperature, reactive, and chemically complex fuel and coolant components contained within these systems. Optical spectroscopy techniques such as laser-induced fluorescence (LIF) and laser-induced breakdown spectroscopy (LIBS) are candidates for monitoring instrumentation. They offer many advantages for continuous monitoring, including the ability to operate at a standoff and compatibility with liquid-phase analytes. We discuss the use of LIF for the detection of Nd, a common fission fragment, within a liquid matrix. Results show that for NdCl3 dissolved in water, the Nd I 492.45 nm resonant transition is detectable without the need to induce a plasma and that the fluorescence emission can be separated in the time domain from the laser scatter signal. Additionally, we present a setup and preliminary results for measurements of solid Nd and U using resonant LIBS. The results demonstrate element-selective measurement capabilities and provide the foundational data necessary to continue the development of laser-based MSR diagnostics. This work also helps address gaps in the literature regarding energy level assignments of Nd.

98 - NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL↗