Modeling relationships using graph state variables
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Modeling relationships using graph state variables
This paper shows example GSV representations for spacecraft orientation, location, trajectories, dynamics, and kinematics.
graph MDS relationships dependency topology state ↗
Spatial deadlocks in task-level planning
We will formulate the problem of resolving spatial (space occupancy and support-stability) interactions in terms of tools developed in Operating Systems for the problems of deadlocks and synchronization. We show how to construct state graphs and to detect resource contentions and deadlocks from these state graphs. We describe an algorithm, called CONTAC, to deal with deadlocks where 'processes' represent the ordered motions of parts. The algorithm is a monitor-like process using preventative preemptive protocol to resolve higher-degree deadlocks. We develop the representation for knowledge about current allocations, pending requests, and synchronization constraints, to generate a contention-free sequence of actions. In this paper we focus on modeling deadlocks which are manifestations of spatial interactions.
Doshi, Rajkumar S.↗
Analysis of parallel systems.
A formal analysis procedure for hardware and software computer systems is described. A system is described by a flow table model. The concept of an output hazard is introduced to account for effects of unbounded line delays. Necessary and sufficient conditions for the absence of output hazards are given. A system that contains no output hazards is said to operate correctly if the system state graph that describes all system states and state transitions is free from forbidden states and forbidden state sequences. A flow table solution for the two-component mutual exclusion problem is analyzed and shown to be correct.
Bredt, T. H.↗
Model checking
Automatic formal verification methods for finite-state systems, also known as model-checking, successfully reduce labor costs since they are mostly automatic. Model checkers explicitly or implicitly enumerate the reachable state space of a system, whose behavior is described implicitly, perhaps by a program or a collection of finite automata. Simple properties, such as mutual exclusion or absence of deadlock, can be checked by inspecting individual states. More complex properties, such as lack of starvation, require search for cycles in the state graph with particular properties. Specifications to be checked may consist of built-in properties, such as deadlock or 'unspecified receptions' of messages, another program or implicit description, to be compared with a simulation, bisimulation, or language inclusion relation, or an assertion in one of several temporal logics. Finite-state verification tools are beginning to have a significant impact in commercial designs. There are many success stories of verification tools finding bugs in protocols or hardware controllers. In some cases, these tools have been incorporated into design methodology. Research in finite-state verification has been advancing rapidly, and is showing no signs of slowing down. Recent results include probabilistic algorithms for verification, exploitation of symmetry and independent events, and the use symbolic representations for Boolean functions and systems of linear inequalities. One of the most exciting areas for further research is the combination of model-checking with theorem-proving methods.
Dill, David L.↗
AND/OR graph representation of assembly plans
A compact representation of all possible assembly plans of a product using AND/OR graphs is presented as a basis for efficient planning algorithms that allow an intelligent robot to pick a course of action according to instantaneous conditions. The AND/OR graph is equivalent to a state transition graph but requires fewer nodes and simplifies the search for feasible plans. Three applications are discussed: (1) the preselection of the best assembly plan, (2) the recovery from execution errors, and (3) the opportunistic scheduling of tasks. An example of an assembly with four parts illustrates the use of the AND/OR graph representation in assembly-plan preselection, based on the weighting of operations according to complexity of manipulation and stability of subassemblies. A hypothetical error situation is discussed to show how a bottom-up search of the AND/OR graph leads to an efficient recovery.
Homem De Mello, Luiz S.↗
High-Throughput Screening of Li Solid-State Electrolytes With Bond Valence Methods and Graph Neural Networks
Li-based solid-state electrolyte (Li-SSE) materials enable safer, all-solid-state batteries but the computational search for candidates with favorable stability and Li-ion conductivity is challenging due to the size of the search space and the cost of evaluating transport properties with ab initio methods. We present a high-throughput screening approach for Li-SSE materials using a combination of bond-valence methods and graph neural networks. We demonstrate the screening approach with a dataset containing tens of thousands of Li-containing compounds. Furthermore, we combine the machine-learning screening procedure with an isovalent substitution scheme to generate and screen additional Li SSE candidates beyond existing databases. Finally, we discuss relative importances of geometric and bond-valence quantities in the training of graph neural networks, providing insight for future modeling of ionic conductivity in Li-SSE materials.
Materials discovery↗
Controlling state explosion during automatic verification of delay-insensitive and delay-constrained VLSI systems using the POM verifier
Delay-insensitive VLSI systems have a certain appeal on the ground due to difficulties with clocks; they are even more attractive in space. We answer the question, is it possible to control state explosion arising from various sources during automatic verification (model checking) of delay-insensitive systems? State explosion due to concurrency is handled by introducing a partial-order representation for systems, and defining system correctness as a simple relation between two partial orders on the same set of system events (a graph problem). State explosion due to nondeterminism (chiefly arbitration) is handled when the system to be verified has a clean, finite recurrence structure. Backwards branching is a further optimization. The heart of this approach is the ability, during model checking, to discover a compact finite presentation of the verified system without prior composition of system components. The fully-implemented POM verification system has polynomial space and time performance on traditional asynchronous-circuit benchmarks that are exponential in space and time for other verification systems. We also sketch the generalization of this approach to handle delay-constrained VLSI systems.
Probst, D.↗
Distributed state-space generation of discrete-state stochastic models
High-level formalisms such as stochastic Petri nets can be used to model complex systems. Analysis of logical and numerical properties of these models of ten requires the generation and storage of the entire underlying state space. This imposes practical limitations on the types of systems which can be modeled. Because of the vast amount of memory consumed, we investigate distributed algorithms for the generation of state space graphs. The distributed construction allows us to take advantage of the combined memory readily available on a network of workstations. The key technical problem is to find effective methods for on-the-fly partitioning, so that the state space is evenly distributed among processors. In this paper we report on the implementation of a distributed state-space generator that may be linked to a number of existing system modeling tools. We discuss partitioning strategies in the context of Petri net models, and report on performance observed on a network of workstations, as well as on a distributed memory multi-computer.
Ciardo, Gianfranco↗
Model checking for linear temporal logic: An efficient implementation
This report provides evidence to support the claim that model checking for linear temporal logic (LTL) is practically efficient. Two implementations of a linear temporal logic model checker is described. One is based on transforming the model checking problem into a satisfiability problem; the other checks an LTL formula for a finite model by computing the cross-product of the finite state transition graph of the program with a structure containing all possible models for the property. An experiment was done with a set of mutual exclusion algorithms and tested safety and liveness under fairness for these algorithms.
Sherman, Rivi↗
Stability analysis of spacecraft power systems
The problems in applying standard electric utility models, analyses, and algorithms to the study of the stability of spacecraft power conditioning and distribution systems are discussed. Both single-phase and three-phase systems are considered. Of particular concern are the load and generator models that are used in terrestrial power system studies, as well as the standard assumptions of load and topological balance that lead to the use of the positive sequence network. The standard assumptions regarding relative speeds of subsystem dynamic responses that are made in the classical transient stability algorithm, which forms the backbone of utility-based studies, are examined. The applicability of these assumptions to a spacecraft power system stability study is discussed in detail. In addition to the classical indirect method, the applicability of Liapunov's direct methods to the stability determination of spacecraft power systems is discussed. It is pointed out that while the proposed method uses a solution process similar to the classical algorithm, the models used for the sources, loads, and networks are, in general, more accurate. Some preliminary results are given for a linear-graph, state-variable-based modeling approach to the study of the stability of space-based power distribution networks.
Halpin, S. M.↗
Software to Control and Monitor Gas Streams
This software package interfaces with various gas stream devices such as pressure transducers, flow meters, flow controllers, valves, and analyzers such as a mass spectrometer. The software provides excellent user interfacing with various windows that provide time-domain graphs, valve state buttons, priority- colored messages, and warning icons. The user can configure the software to save as much or as little data as needed to a comma-delimited file. The software also includes an intuitive scripting language for automated processing. The configuration allows for the assignment of measured values or calibration so that raw signals can be viewed as usable pressures, flows, or concentrations in real time. The software is based on those used in two safety systems for shuttle processing and one volcanic gas analysis system. Mass analyzers typically have very unique applications and vary from job to job. As such, software available on the market is usually inadequate or targeted on a specific application (such as EPA methods). The goal was to develop powerful software that could be used with prototype systems. The key problem was to generalize the software to be easily and quickly reconfigurable. At Kennedy Space Center (KSC), the prior art consists of two primary methods. The first method was to utilize Lab- VIEW and a commercial data acquisition system. This method required rewriting code for each different application and only provided raw data. To obtain data in engineering units, manual calculations were required. The second method was to utilize one of the embedded computer systems developed for another system. This second method had the benefit of providing data in engineering units, but was limited in the number of control parameters.
Arkin, C.↗
Predicting the Functional State of Protein Kinases Using Interpretable Graph Neural Networks
Kinases are a family of proteins that function as molecular switches, regulating several essential cellular activities such as cell proliferation. Dysfunctional kinases are implicated in several types of cancers and hence they are actively pursued as drug targets. Given the vast number of complex kinase structures that are available in the protein data bank (PDB), there is a necessity to develop methodologies that can identify structurally important moieties of the kinases in an automated fashion, for such techniques can be instrumental in identifying novel drug targets. In this work, we develop a graph neural network (GNN) based deep learning framework for classifying the functionally active and inactive states of a large set of eukaryotic protein kinases, making use of their 3D structure from the PDB. We show that GNN based machine learning models can classify protein states with an accuracy greater than 97%. We further use the GNN models to automatically identify regions of the kinases that are important for its function. For this purpose, Gradient-weighted Class Activation Mapping (Grad-CAM) was implemented on the protein graphs. Remarkably, Grad-CAM consistently identifies the highly conserved DFG motif as the most important part of the protein across the entire kinome, without any prior input. Other regions of the hydrophobic core such as the HRD motif were also identified by the interpretable GNN framework, consistent with the literature. We discuss the significance of each of these regions in detail.
Ashwin Ravichandran↗
HURON (HUman and Robotic Optimization Network) Multi-Agent Temporal Activity Planner/Scheduler
HURON solves the problem of how to optimize a plan and schedule for assigning multiple agents to a temporal sequence of actions (e.g., science tasks). Developed as a generic planning and scheduling tool, HURON has been used to optimize space mission surface operations. The tool has also been used to analyze lunar architectures for a variety of surface operational scenarios in order to maximize return on investment and productivity. These scenarios include numerous science activities performed by a diverse set of agents: humans, teleoperated rovers, and autonomous rovers. Once given a set of agents, activities, resources, resource constraints, temporal constraints, and de pendencies, HURON computes an optimal schedule that meets a specified goal (e.g., maximum productivity or minimum time), subject to the constraints. HURON performs planning and scheduling optimization as a graph search in state-space with forward progression. Each node in the graph contains a state instance. Starting with the initial node, a graph is automatically constructed with new successive nodes of each new state to explore. The optimization uses a set of pre-conditions and post-conditions to create the children states. The Python language was adopted to not only enable more agile development, but to also allow the domain experts to easily define their optimization models. A graphical user interface was also developed to facilitate real-time search information feedback and interaction by the operator in the search optimization process. The HURON package has many potential uses in the fields of Operations Research and Management Science where this technology applies to many commercial domains requiring optimization to reduce costs. For example, optimizing a fleet of transportation truck routes, aircraft flight scheduling, and other route-planning scenarios involving multiple agent task optimization would all benefit by using HURON.
Hua, Hook↗
Modeling Principles Using the Relation Between Lagrange Multipliers and Bond Graphs
Final document is attached. Modeling dynamic systems by bond graphs has become state of the art technology since hundreds of researchers around the world have incorporated the technology in many fields of engineering and science. The legacy of its invertor Prof. Henry Paynter at MIT in 1959 is now a fundamental and practical technique to understand reality by building computer models. This paper addresses a particular aspect of this technology when modeling of mechanical systems require relaxation of constraints by means of Lagrange principles. Lagrange's equations are a useful means of describing and solving systems with kinematic constraints. Lagrange multipliers are variables used in equations to find the extremes of multivariate functions. Here we explore the relation of Lagrange multipliers to solve modeling difficulties of a space vehicle with equations with dependent derivatives. Lagrange multipliers were used in conjunction with bond graphs to simulate a system where joints of kinematic linkages produce dependent derivatives. NASA's Morpheus Project lunar lander was used as a case study. The Morpheus Project is a terrestrial test vehicle designed to fly the terminal descent trajectory of a lunar lander to advance the Autonomous Landing Hazard Avoidance Technology (ALHAT). An objective of this study is to apply the modeling approach herein to capture the dynamic movement of the lander as the propellant is sloshed and consumed. This paper expands further the analysis presented by (Granda, J J. Nguyen, L, Carlson, T, Sahragard-Monfared, G., Fornalski, E., Brocker 2016). Using an automated approach bond graph models of state space equations were generated using the Computer Aided Modeling Program (CAMPG). Integral causality models and derivative causality models were considered in order to find the simpler solution for the mathematical dependencies produced in modeling this vehicle.
Granda, Jose J.↗
Predicting the Functional State of Protein Kinases Using Interpretable Graph Neural Networks
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Ashwin Ravichandran↗
HYPERS Software Development
Providing software support for HYPERS and creating internal tools. NASA has a long and decorated history of spaceflight innovation and achievements. The next great endeavor is NASA’s Journey to Mars, which will be achieved with the Space Launch System (SLS) and Orion capsule. Developing and testing these systems is no easy feat. Commercial-off-the-shelf (COTS) tools do not always provide enough functionality for engineers to do their job efficiently, making internal custom-made tools is necessary to meet the expected launch date. The purpose of this internship was to provide software support to the Storable Propellants and Hydraulic Systems Branch, specifically the Hypergolics Software (HYPERS) team. This included developing tools to parse unique measurements from the vehicle into the format specified by the HYPERS team. Displays were also created per requirements. Another major component of this internship was to create an intuitive interactive offline graphing application. The current tool for plotting vehicle data does not have all the functionality and features that HYPERS would like. By inputting a vehicle data file, the application plots the data based on the time range and components the user would like to view. After the graph is generated, the user is able to zoom in, pan horizontally, add comments, hover over data points, and take a snapshot of the current state of the graph. These additional features will help engineers quickly investigate the relationship between vehicle components through data visualization.
Internal Tools↗
Interpretable Tree-Based and Graph Neural Network Approaches for Novel Solid State Electrolyte Design
All-solid-state batteries with Li metal anode can address the safety issues surrounding traditional Li-ion batteries as well as the demand for higher energy densities. However, the development of solid electrolytes simultaneously possessing high ionic conductivity and good chemical and electrochemical stabilities has proven to be a challenge. I will present our informatics approach to explore the Li compound space for promising solid electrolytes using high-throughput multi-property screening and interpretable machine learning. This is accomplished through the generation of a large database of battery-related materials properties of Li compounds. We use tree-based ensemble learning methods and graph neural network approaches to accurately learn relationships between crystal structures and corresponding thermodynamic and kinetic properties, with interpretability being a major focus. Our models give us the ability to enable rapid discovery and design of novel solid-state battery chemistries.
Materials discovery↗